Handbook of Chemical Bond Energies

Dedication
Dr. Sidney W. Benson
who introduced me to the field of thermochemical kinetics

during my postdoctoral work at the University of Southern California
Preface
Since the Handbook of Bond Dissociation Energies in Organic Compounds (CRC Press 2002)
was published, users and colleagues have urged me to continue to update the
experimental information and to extend the scope of BDE (bond dissociation energy or
enthalpy) data to include not only organics but also other species such as inorganics,
organometallics, biochemicals, radicals, ions, clusters, supramolecules, hydrogen-bonded
species, surface-bonded, and van der Waals complexes.
I believe that a new and complete version of the BDE database should be valuable for the
following reasons:
1. Based on Chemical Abstracts, Web of Science, and Google Scholar, the

measurement of BDEs is still one of the most active research topics. A great
number of new experimental data are reported monthly. BDE data are continuing
to be revised and updated. For example, the BDE values in even the simplest
molecules such as H2O and NH3 have been revised recently and are now more
reliable and accurate.
2. A large number of experimental BDE data of organometallic compounds are
available, but they have not been collated.
3. The experimental BDEs in ions, clusters, hydrogen-bonded species, surface-
bonded, and van der Waals complexes are essential data for catalysis, high-tech,
nano-materials, bioengineering, environmental, and space science; however, these
valuable data are dispersed throughout a variety of publications.
Since the 1980s, the total number of experimental BDE data available has continued to
sharply increase. We have collected the experimental BDE data of more than 19,600
bonds of 102 elements from 5,500 publications where the BDE data of about 2,000 bonds
in organic species have been either updated or added. All of the new information is
published in this series of volumes.
I have introduced the BDE data of about 3,470 bonds in the CRC Handbook of Chemistry
and Physics that is regularly updated. This enables the readers to cross-reference and find
new details. The updated and enlarged version of this book will be an electronic
publication in several years. The plan is to gather both measurements and predictions and
to use a different font or color to distinguish between resources of the BDE values.
I greatly appreciate the discussions and encouragement of the following individuals:
Professors S. W. Benson (University of Southern California), J. L. Beauchamp (Cal Tech),
P. B. Armentrout (University of Utah), R. H. Byrne (University of South Florida), G. B.
Ellison (University of Colorado), W. E. Acree, Jr. (University of North Texas), D. M. Golden
(Stanford University), T. Baer (University of North Carolina), J. F. Liebman (University of
Maryland), P. W. Wenthold (Purdue University), S. E. Stein, M. Meot-Ner and D. R. Lide
(National Institute of Standards and Technology), D. L. Hildenbrand (SRI International),
B. M. Ruscic (Argonne National Laboratory), P. D. Pacey (Dalhousie University),
J. L. Holmes (University of Ottawa), P. Kebarle (University of Alberta), J. A. Kerr
(University of Birmingham), W. A. Brown (University College, London), J. P. Cheng
(Nankai University), S. Q. Yu and Q. X. Guo (University of Science and Technology of
China), H. L. Chen (Nanjing University), H. Schwarz (Technical University, Berlin),
L. Schweikhard (Ernst Moritz Arndt University), S. P. Verevkin (University of Rostock,
Germany), many scientists, engineers, and users.
Comments and suggestions are welcome; please contact me by e-mail at
luo@marine.usf.edu.
Preface to the primary version
Three of the most fundamental concepts in organic chemistry are structure, energetics,
and reactivity and their inter-relationships. Sometimes, attempting to discover reliable
data on bond dissociation energies (BDEs) or the strengths of chemical bonds may be a
frustrating exercise.
I began to collect experimental and theoretical values for BDEs in 1990. Four years later,
Dr. S. E. Stein of the National Institute of Standards and Technology (NIST) encouraged me
to continue in this task that is essential for chemical kinetics, free radical chemistry, organic
thermochemistry, and physical organic chemistry.
A variety of methods exist for determining BDE values, but almost none are accurate to
better than chemical accuracy (G1 kcal/mol, 1 calorie Z4.184 J). The BDE values of many
important compounds have been measured many times; for example, the C–H BDE in
methane has been determined about 50 times since the 1930s. BDE values continue to be a
source of lively controversy among scientists.
The data presented in this book are from experiments only, although theoretical
calculations are very interesting. Collecting experimental BDE data has been like taking a
class in the history of chemistry with many prominent scientists, including E. W. R.
Steacie, L. Pauling, M. Szwarc, N. N. Semenov, and S. W. Benson, having made significant
contributions to the problems surrounding the BDEs.
I am very happy to acknowledge the great help, encouragement, and discussions of the
following scientists in preparing this manuscript: Professors S. W. Benson, F. W. Bordwell,
Y. T. Lee, R. H. Byrne, A. M. Dean, J. F. Liebman, V. D. Parker, and I. R. Slagle (United
States); P. D. Pacey, J. L. Holmes, D. A. Armstrong, and E. Tschuikow-Roux (Canada); J. A.
Kerr, R. Walsh, and M. J. Pilling (United Kingdom); C. Rüchardt (Germany); K. D. King
(Australia); X. Z. Zhao and J. P. Cheng (China); A. J. Colussi (Argentina); J. A. M. Simões
(Portugal); J. A. Seetula (Finland); Drs. S. E. Stein and W. Tsang (NIST); T. J. Wallington
(Ford Motor Company); M. Tirtowidjojo (Dow Chemical Company); K. U. Ingold and
D. D. M. Wayner (NRC, Canada); and E. T. Denisov (Russia). I also would like to thank the
reviewers for their suggestions and comments.
Author
Yu-Ran Luo, Ph.D., graduated from the University of Science and

Technology of China and taught at the same university. He earned
his doctoral degree from Dalhousie University in 1991. He has
worked at the University of Ottawa, the University of Southern
California, and NIST. Currently, he is a faculty member at the
University of South Florida and is responsible for updating the BDE
(bond dissociation energy) tables in the CRC Handbook of Chemistry
and Physics.
Since 1990, he has collected, assessed, and organized experimental
BDE data. This handbook results from his industrious efforts of
about seventeen years.
List of notations and
abbreviations
AE appearance energy measurements

AES Auger electron spectroscopy
AFM atomic force microscopy
AOP acidity-oxidation potential measurements
AP appearance potentials
BDE bond dissociation energy (or enthalpy)
BIRD blackbody infrared radiative dissociation
CERMS collision energy-resolved mass spectra
CID collision-induced dissociation
CL chemiluminescence
CPD concentration dependent diffusion
CRDS cavity ring-down spectroscopy
CS MS charge-stripping mass spectrometry
DC diffusion coefficient
DEA dissociative electron attachment
DELFINE detection of laser fluorecence and ionization
detect. detection
DH0 i.e., BDE, where H emphasizes the BDE is an enthalpy change of
thermochemistry
DLTS deep level transient spectroscopy
DROPS double-resonance overtone photofragment spectroscopy
DSC differential scanning calorimetry
DT drift tube experiments
EA electron affinity
ECD electron capture detection
EELS electron energy loss spectroscopy
EI electron impact ionization
EID electron-induced decomposition
EI-HP MS elctrospray ionization-high pressure mass spectrometry
electrochem. electrochemical technique
EM electron microscopy
ENDOR electron nuclear double resonance technique
EPR electron paramagnetic resonance spectrometry
ES emission spectroscopy
ESDIAD electron stimulated desorption ion angular distribution
ESI electrospray ionization
ES MS electrospray mass spectrometry
ESR electron spin resonance spectrometry
FA MS flowing afterglow mass spectrometry
FA TQ flowing afterglow-triple quadrupole technique
FAB fast atom bombardment
FDMS flash decomposition mass spectroscopy
FDS flash decomposition spectroscopy
FEM field emission microscopy
FIM field ion microscopy
FP flash photolysis
FSEP femtosecond stimulated emission pumping
FT-CR Fourier transform cyclotron resonance spectrometry
FT-ICR Fourier transform ion cyclotron resonance spectrometry
FT-MS Fourier transform mass spectrometry
FT-MW Fourier transform microwave spectrometry
FT-IR Fourier transform infrared spectrometry
FTR flow-tube reactor
GC gas chromatographic analysis
GDMS glow discharge mass spectrometry
GIB MS guided-ion beam mass spectrometry
GPA gas-phase acidity
GPB gas-phase basicity
G-S CG gas-solid chromatography
HAS helium atom scattering
HEED high-energy electron diffraction
HPLC high performance liquid chromatography
HP MS high-pressure mass spectrometry
HR-EELS high-resolution electron energy loss spectroscopy
ICP inductively coupled-plasma mass spectrometry
ICR ion cyclotron resonance spectrometry
IMS ion mobility spectrometry
IE (IP) ionization energy (potential)
IR infrared spectrometry
IRAS infrared reflection absorption spectroscopy
IR MPD infrared multiphoton dissociation
IR PD infrared (multiphoton) photodissociation
ISS ion scattering spectroscopy
KERD kinetic energy release distribution
KIM MS kinetic ion mobility MS
LEED low energy electron diffraction
LEEM low energy electron microscopy
LEIS low energy ion scattering
LF laser flash photolysis
LI laser ionization
LID laser-induced desorption
LIF laser-induced fluorescence
LIPAC laser-induced photoacoustic calorimetry
LITD laser-induced thermal desorption
LLD linear laser diffraction
LMR laser magnetic resonance spectroscopy
LOD linear optical diffraction
LP laser photolysis
MALDI matrix-assisted laser desorption ionization
MATI mass-analyzed threshold ionization spectra
MBE molecular beam epitaxy
MBR molecular beam relaxation spectroscopy
MF metastable fractions
MIKE mass analyzed ion kinetic energy spectrometry
MPI multi-photo ionization
MRHEED microprobe reflection high-energy electron diffraction
MS mass spectrometry
MV microwave
ND neutron diffraction
NICI MS negative ion chemical ionization MS
NMR nuclear magnetic resonance spectrometry
OODR optical–optical double resonance
PA proton affinity
PAC photoacoustic calorimetry
PACS perturbed angular correlation spectroscopy
PACT perturbed g–g angular correlation technique
PD photodissociation
PDS photodissociation spectroscopy
PE photoemission
PED photoelectron diffraction
PEDt photoelectron detachment
PEEM photoemission electron microscopy
PFI-PEPICO pulsed field ionization photoelectron-photoion coincidence technique
PFI-PE pulsed field ionization photoelectron technique
PES photoelectron spectrometry
PF photofragmentation
PHOFEX photofragmentation excitation
photobromin. photobromination
photochlorin. photochlorination
photodetach. photodetachment
photodissocn photodissociation
photoelectr. photoelectron
PI photoionization
PIE photoionization efficiency
PIMS photoionization mass spectrometry
PIPECO photoion–photoelectron coincidence spectra
POSTS position sensitive translational spectroscopy
PPC photoelectron–photofragment coincidence spectra
PSD photosensitized dissociation
PST pulse shock tube
PTS photofragment translational spectrometry
PVT pressure–volume–temperature data analysis
QP MS quadrupole mass spectrometer
RAIRS reflection adsorption infrared spectroscopy
RBS Rutherford backscattering spectrometry
re-anal. re-analysis of experimental data, i.e., revised
re-cal. re-calculated BDEs from experimental data, i.e., revised
recommend. recommended value
REM reflection electron microscopy
REMPI resonance enhanced multiphoton ionization
REPD resonance enhanced photodissociation spectroscopy
RET reactive energy thresholds
RF resonance fluorescence
RHEED reflection high-energy electron diffraction
RST reflected shock tube
R2PI resonant 2-photo photoionization
SAMS stationary afterglow-mass spectrometry
SCAC single crystal adsorption calorimetry
SEI secondary electron imaging
SEM scanning electron microscopy
SEP stimulated emission pumping-resonant
SHD second harmonic diffraction
SHG second harmonic generation
SID surface-induced dissociation
SIE secondary ion emission
SIFT selected ion flow tube
SIMS secondary ion mass spectrometry
S.P. surface potentials
spectrom. spectrometry
SPST single-pulse shock tube technique
STM scanning tunneling microscopy
TA thermal analysis
TC thermal conductivity
TCT toluene carrier technique
TD thermal desorption (flash desorption)
TDS thermal desorption spectroscopy
TEAS thermal energy atom scattering
TEM transmission electron microscopy
TFD thermal flash desorption
TG thermal gravimetry
TIPPS threshold ion-pair production spectroscopy
TOF-MS time-of-flight mass spectrometry
TPD thermal programmed desorption spectra
TPEPICO threshold photoelectron photoion coincidence spectroscopy
TPR temperature programmed reaction
TPRS temperature programmed reaction spectroscopy
TP-ZEKE two-phototon zero-kinetic-energy (photoelectron spectra)
TQ MS triple-quadrupole mass spectrometer
TR-EELS time-resolved electron energy loss spectroscopy
TR-LIF time-resolved laser-induced fluorescence
TR-IR time-resolved infrared spectrometry
TR-PAC time-resolved photoacoustic calorimetry
TR-PD time-resolved photodissociation
VLPP very low pressure pyrolysis technique
VLPR very low pressure reactor method
VTAFM variable-temperature atomic force microscopy
VUV vacuum ultraviolet
UPS ultraviolet photoelectron spectroscopy
UV/VIS ultra-violet and visible spectrometry
XPS x-ray photoelectron spectroscopy
ZEKE-PEI zero kinetic energy pulsed field ionization photoelectron spectroscopy
2PPE two-photon photoemission
Contents
Chapter one Introduction ........................................................................................................1

1.1 Comprehensive database of the BDEs ............................................................................1
1.2 What is the BDE? ................................................................................................................1
1.3 Why are reliable BDEs needed? .......................................................................................3
1.4 Scope of this book ...............................................................................................................3
1.5 On energy units ...................................................................................................................5
1.6 How to search for BDEs in this book ..............................................................................6
1.7 How to use the BDE data tables .......................................................................................7
Chapter two Experimental methods for measuring BDEs ...............................................13

2.1 A summary of main experimental methods ................................................................13
2.2 The conversion between D0, De, and DH0 ....................................................................16
2.2.1 Diatomic molecules .............................................................................................17
2.2.2 Polyatomic molecules .........................................................................................18
Chapter three BDEs of C–H bonds ......................................................................................19

3.1 Chain saturated hydrocarbons .......................................................................................19
3.2 Chain unsaturated hydrocarbons ...................................................................................24
3.3 Cyclic hydrocarbons .........................................................................................................31
3.4 Aromatic hydrocarbons ...................................................................................................40
3.5 Halogenated hydrocarbons .............................................................................................61
3.6 Organic compounds containing heteroatom(s) ............................................................70
3.6.1 C–H BDEs with a-OH, -OR, -C(O), -C(O)OH, -C(O)OR, -OC(O)R
and -OOR ..............................................................................................................70
3.6.1.1 C–H BDEs with a-OH .......................................................................70
3.6.1.2 C–H BDEs with a-OR ........................................................................73
3.6.1.3 C–H BDEs with a-C(O) .....................................................................83
3.6.1.4 C–H BDEs with a-C(O)OH ..............................................................93
3.6.1.5 C–H BDEs with a-C(O)OR, -OC(O)R and -OOR ..........................96
3.6.2 C–H BDEs with a-N, -CN, -NC, -NO, -NO2, -NN and in
heterocyclic species ...........................................................................................102
3.6.2.1 C–H BDEs with a-N ........................................................................102
3.6.2.2 C–H BDEs with a-CN and -NC .....................................................106
3.6.2.3 C–H BDEs with a-NO, -NO2, and -NN .......................................109
3.6.2.4 C–H BDEs in heterocyclic species .................................................112
3.6.3 C–H BDEs with a-O, -N and their groups ....................................................118
3.6.4 C–H BDEs with a-C(S), -S, -SO, and -SO2 .....................................................125
3.6.5 C–H BDEs with other heteroatoms at a-position .........................................132
3.7 C–H BDEs in radicals .....................................................................................................134
Chapter four BDEs of C–C bonds ......................................................................................147

4.1 Saturated hydrocarbons .................................................................................................147
4.2 Chain unsaturated hydrocarbons .................................................................................154
4.3 Aromatic hydrocarbons .................................................................................................161
4.4 Halogenated hydrocarbons ...........................................................................................166
4.5 Organic compounds containing heteroatoms ............................................................178
4.5.1 Organic compounds containing oxygen atoms ............................................178
4.5.2 Organic compounds containing nitrogen atoms ..........................................191
4.5.3 Organic compounds containing sulfur atoms ..............................................203
4.6 C–C BDEs in radicals .....................................................................................................205
Chapter five BDEs of C–halogen bonds ............................................................................211

5.1 C–F bonds .........................................................................................................................211
5.2 C–Cl bonds .......................................................................................................................218
5.3 C–Br bonds .......................................................................................................................233
5.4 C–I bonds .........................................................................................................................243
Chapter six BDEs of O–X bonds .........................................................................................255

6.1 O–H bonds .......................................................................................................................255
6.1.1 O–H bonds in non-phenols ..............................................................................255
6.1.1.1 O–H bonds in ROH .........................................................................255
6.1.1.2 O–H bonds in RC(O)OH ................................................................262
6.1.1.3 O–H bonds in ROOH ......................................................................266
6.1.2 O–H bonds in oximes and hydrolamines ......................................................272
6.1.3 O–H bonds in phenols ......................................................................................285
6.1.4 O–H bonds in sterically hindered phenols ...................................................298
6.1.5 O–H bonds in metal-containing species ........................................................306
6.1.6 O–H bonds in radicals ......................................................................................308
6.2 O–O bonds .......................................................................................................................309
6.3 O–C bonds ........................................................................................................................321
6.3.1 O–C bonds in alcohols ......................................................................................321
6.3.2 O–C bonds in ethers ..........................................................................................325
6.3.3 O–C bonds in acids, esters and anhydrides ..................................................333
6.3.4 O–C bonds in peroxides and peroxys ............................................................337
6.3.5 O–C bonds in other species .............................................................................342
6.3.6 O–C bonds in radicals .......................................................................................346
6.4 O–N bonds .......................................................................................................................347
6.5 O–S bonds ........................................................................................................................360
6.6 O–halogen bonds ............................................................................................................365
Chapter seven BDEs of N–X bonds ...................................................................................369

7.1 N–H bonds .......................................................................................................................369
7.1.1 N–H bonds in non-anilines ..............................................................................369
7.1.2 N–H bonds in anilines ......................................................................................378
7.1.3 N–H bonds in cyclic compounds ....................................................................387
7.2 N–N bonds .......................................................................................................................395
7.3 N–C bonds ........................................................................................................................403
7.4 N–S bonds .........................................................................................................................420
7.5 N–halogen bonds .............................................................................................................422
7.6 N–B, N–Al, N–Ga, and N–In bonds .............................................................................424
Chapter eight BDEs of S–, Se–, Te–, Po–X bonds .............................................................425

8.1 S–H bonds ........................................................................................................................425
8.2 S–S bonds .........................................................................................................................431
8.3 S–C bonds .........................................................................................................................436
8.4 S–halogen bonds .............................................................................................................445
8.5 S–P, S–As, and S–Sb bonds ............................................................................................449
8.6 Se–X bonds .......................................................................................................................451
8.7 Te–X bonds .......................................................................................................................453
8.8 Po–X bonds ......................................................................................................................454
Chapter nine BDEs of Si–, Ge–, Sn–, and Pb–X bonds ...................................................455
9.1 Si–X BDEs .........................................................................................................................455
9.2 Ge–X bonds ......................................................................................................................467
9.3 Sn–X bonds ......................................................................................................................473
9.4 Pb–X bonds ......................................................................................................................478
Chapter ten BDEs of P–, As–, Sb–, Bi–X bonds ...............................................................481

10.1 P–X bonds ......................................................................................................................481
10.2 As–X bonds ....................................................................................................................487
10.3 Sb–X bonds .....................................................................................................................489
10.4 Bi–X bonds .....................................................................................................................490
Chapter eleven BDEs of H(HG)–, Li(LiG)–, Na(NaG)–, K(KG)–, Rb(RbG)–,

and Cs(CsG)–X bonds ..............................................................................493
11.1 H–, H –, and HK–X bonds .........................................................................................493
C
11.2 Li– and LiG–X bonds ....................................................................................................496

11.2.1 Li–X bonds ......................................................................................................496
11.2.2 LiG–X bonds ...................................................................................................500
11.3 Na–, NaCK, and NaK–X bonds .................................................................................516
11.3.1 Na–X bonds ....................................................................................................516
11.3.2 NaC–X bonds .................................................................................................522
11.3.3 NaK–X bonds .................................................................................................541
11.4 K–, KC–, and K––X bonds ...........................................................................................541
11.4.1 K–X bonds .......................................................................................................541
11.4.2 KC–X bonds ....................................................................................................544
11.4.3 KK–X bonds ....................................................................................................557
11.5 Rb–, RbC–, and RbK–X bonds ....................................................................................557
11.5.1 Rb–X bonds .....................................................................................................557
11.5.2 RbC–X bonds ..................................................................................................559
11.5.3 RbK–X bonds ..................................................................................................562
11.6 Cs–, CsC–, and CsK–X bonds .....................................................................................563
11.6.1 Cs–X bonds .....................................................................................................563
11.6.2 CsC–X bonds ..................................................................................................565
11.6.3 CsK–X bonds ..................................................................................................569
Chapter twelve BDEs of Be(BeC)–, Mg(MgC)–, Ca(CaC)–, Sr(SrC)–, Ba(BaC)–,
and Ra–X bonds ........................................................................................571
12.1 Be– and BeC–X bonds ..................................................................................................571
12.1.1 Be–X bonds .....................................................................................................571
12.1.2 BeC–X bonds ..................................................................................................573
12.2 Mg– and MgC–X bonds ...............................................................................................574
12.2.1 Mg–X bonds ...................................................................................................574
12.2.2 MgC–X bonds ................................................................................................579
12.3 Ca– and CaC–X bonds .................................................................................................584
12.3.1 Ca–X bonds .....................................................................................................584
12.3.2 CaC–X bonds ..................................................................................................587
12.4 Sr– and SrC–X bonds ...................................................................................................591
12.4.1 Sr–X bonds ......................................................................................................591
12.4.2 SrC–X bonds ...................................................................................................593
12.5 Ba– and BaC–X bonds ..................................................................................................596
12.5.1 Ba–X bonds .....................................................................................................596
12.5.2 BaC–X bonds ..................................................................................................598
12.6 Ra–X bonds ....................................................................................................................599
Chapter thirteen BDEs of Sc(ScC)–, Y(YC)–, La(LaC)–,

and Ac(AcC)–X bonds ...........................................................................601
C
13.1 Sc– and Sc –X bonds ...................................................................................................601
13.1.1 Sc–X bonds ......................................................................................................601
13.1.2 ScC–X bonds ...................................................................................................603
13.2 Y– and YC–X bonds ......................................................................................................607
13.2.1 Y– bonds ..........................................................................................................607
13.2.2 YC–X bonds ....................................................................................................610
13.3 La– and LaC–X bonds ..................................................................................................612
13.4 Ac– and AcC–X bonds .................................................................................................643
Chapter fourteen BDEs of Ti(TiG)–, Zr(ZrC)–, and Hf(HfC)–X bonds ........................667

14.1 Ti–, TiC–, and TiK–X bonds ........................................................................................667
14.1.1 Ti–X bonds ......................................................................................................667
14.1.2 TiC– and TiK–X bonds .................................................................................673
14.2 Zr– and ZrC–X bonds ..................................................................................................679
14.2.1 Zr–X bonds .....................................................................................................679
14.2.2 ZrC–X bonds ..................................................................................................683
14.3 Hf– and HfC–X bonds .................................................................................................685
Chapter fifteen BDEs of V(VG)–, Nb(NbC)–, and Ta(TaC)–X bonds ...........................689

15.1 V–, VC–, and VK–X bonds ..........................................................................................689
15.1.1 V–X bonds .......................................................................................................689
15.1.2 VC–X bonds ....................................................................................................692
15.1.3 VK–X bonds ....................................................................................................699
15.2 Nb– and NbC–X bonds ................................................................................................700
15.2.1 Nb–X bonds ....................................................................................................700
15.2.2 NbC–X bonds .................................................................................................704
15.3 Ta– and TaC–X bonds ..................................................................................................708
15.3.1 Ta–X bonds .....................................................................................................708
15.3.2 TaC–X bonds ..................................................................................................711
Chapter sixteen BDEs of Cr(CrG)–, Mo(MoG)–, and W(WG)–X bonds ......................713
16.1 Cr–, CrC–, and CrK–X bonds .....................................................................................713
16.1.1 Cr–X bonds .....................................................................................................713
16.1.2 CrC–X bonds ..................................................................................................723
16.1.3 CrK–X bonds ..................................................................................................733
16.2 Mo–, MoCK, and MoK–X bonds ...............................................................................734
16.2.1 Mo–X bonds ...................................................................................................734
16.2.2 MoC–X bonds ................................................................................................746
16.2.3 MoK–X bonds ................................................................................................751
16.3 W–, WC–, and WK–X bonds .......................................................................................751
16.3.1 W–X bonds ......................................................................................................751
16.3.2 WC–X bonds ..................................................................................................778
16.3.3 WK–X bonds ..................................................................................................780
Chapter seventeen BDEs of Mn(MnG)–, Tc(TcC), and Re(ReG)–X bonds ...................781

17.1 Mn–, MnC–, and MnK–X bonds .................................................................................781
17.1.1 Mn–X bonds ....................................................................................................781
17.1.2 MnC–X bonds .................................................................................................787
17.1.3 MnK–X bonds .................................................................................................793
17.2 Tc–X and TcC–X bonds .................................................................................................795
17.2.1 Tc–X bonds ......................................................................................................795
17.2.2 TcC–X bonds ...................................................................................................795
17.3 Re–, ReC–, and ReK–X bonds .....................................................................................796
17.3.1 Re–X bonds .....................................................................................................796
17.3.2 ReC–X bonds ..................................................................................................799
17.3.3 ReK–X bonds ..................................................................................................801
Chapter eighteen BDEs of Fe(FeG)–, Ru(RuC)–, and Os(OsC)–X bonds ....................803

18.1 Fe–, FeC–, and FeK–X bonds ......................................................................................803
18.1.1 Fe–X bonds .....................................................................................................803
18.1.2 FeC–X bonds ..................................................................................................815
18.1.3 FeK–X bonds ..................................................................................................838
18.2 Ru– and RuC–X bonds .................................................................................................840
18.2.1 Ru–X bonds ....................................................................................................840
18.2.2 RuC–X bonds .................................................................................................849
18.3 Os– and OsC–X bonds .................................................................................................851
18.3.1 Os–X bonds .....................................................................................................851
18.3.2 OsC–X bonds ..................................................................................................853
Chapter nineteen BDEs of Co(CoG)–, Rh(RhC)–, and Ir(IrC)–X bonds ......................855

19.1 Co–, CoC– and CoK–X bonds .....................................................................................855
19.1.1 Co–X bonds ....................................................................................................855
19.1.2 CoC–X bonds .................................................................................................868
19.1.3 CoK–X bonds .................................................................................................881
19.2 Rh– and RhC–X bonds .................................................................................................882
19.2.1 Rh–X bonds ....................................................................................................882
19.2.2 RhC–X bonds .................................................................................................892
19.3 Ir– and IrC–X bonds .....................................................................................................895
19.3.1 Ir–X bonds .......................................................................................................895
19.3.2 IrC–X bonds ...................................................................................................901
Chapter twenty BDEs of Ni(NiG)–, Pd(PdG)–, and Pt(PtG)–X bonds .........................903
20.1 Ni–, NiC–, and NiK–X bonds .....................................................................................903
20.1.1 Ni–X bonds .....................................................................................................903
20.1.2 NiC– and NiK–X bonds ...............................................................................921
20.1.3 NiK–X bonds ..................................................................................................931
20.2 Pd–, PdC–, and PdK–X bonds ....................................................................................932
20.2.1 Pd–X bonds .....................................................................................................932
20.2.2 PdC–X bonds ..................................................................................................939
20.2.3 PdK–X bonds ..................................................................................................941
20.3 Pt–, PtC–, and PtK–X bonds .......................................................................................941
20.3.1 Pt–X bonds ......................................................................................................941
20.3.2 PtC–X bonds ...................................................................................................963
20.3.3 PtK–X bonds ...................................................................................................965
Chapter twenty-one BDEs of Cu(CuG)–, Ag(AgG)–, and Au(AuG)–X bonds ...........967

21.1 Cu–, CuC–, and CuK–X bonds ...................................................................................967
21.1.1 Cu–X bonds ....................................................................................................967
21.1.2 CuC–X bonds .................................................................................................982
21.1.3 CuK–X bonds .................................................................................................989
21.2 Ag–, AgC–, and AgK–X bonds ...................................................................................990
21.2.1 Ag–X bonds ....................................................................................................990
21.2.2 AgC–X bonds .................................................................................................999
21.2.3 AgK–X bonds ...............................................................................................1009
21.3 Au–, AuC–, and AuK–X bonds ................................................................................1009
21.3.1 Au–X bonds ..................................................................................................1009
21.3.2 AuC–X bonds ...............................................................................................1021
21.3.3 AuK–X bonds ...............................................................................................1025
Chapter twenty-two BDEs of Zn(ZnC)–, Cd(CdC)–, and Hg(HgC)–X bonds .........1027

22.1 Zn– and ZnC–X bonds ...............................................................................................1027
22.1.1 Zn–X bonds ..................................................................................................1027
22.1.2 ZnC–X bonds ...............................................................................................1031
22.2 Cd– and CdC–X bonds ..............................................................................................1033
22.2.1 Cd–X bonds ..................................................................................................1033
22.2.2 CdC–X bonds ...............................................................................................1035
22.3 Hg– and HgC–X bonds ..............................................................................................1036
22.3.1 Hg–X bonds ..................................................................................................1036
22.3.2 HgC–X bonds ...............................................................................................1039
Chapter twenty-three BDEs of B(BG)–, Al(AlG)–, Ga(GaG)–, In(InG)–, and

Tl(TlG)–X bonds ...........................................................................1041
C K
23.1 B–, B –, and B –X bonds .........................................................................................1041
23.1.1 B–X bonds .....................................................................................................1041
23.1.2 BC–X bonds ..................................................................................................1049
23.1.3 BK–X bonds ..................................................................................................1051
23.2 Al–, and AlG–X bonds ...............................................................................................1052
23.2.1 Al–X bonds ...................................................................................................1052
23.2.2 AlC– and AlK–X bonds ..............................................................................1062
23.3 Ga–, GaC–, and GaK–X bonds .................................................................................1068
23.3.1 Ga–X bonds ..................................................................................................1068
23.3.2 GaC–X bonds ...............................................................................................1074
23.3.3 GaK–X bonds ...............................................................................................1075
23.4 In– and InG–X bonds .................................................................................................1075
23.4.1 In–X bonds ....................................................................................................1075
23.4.2 InC– and InK–X bonds ...............................................................................1083
23.5 Tl– and TlG–X bonds .................................................................................................1084
23.5.1 Tl–X bonds ....................................................................................................1084
23.5.2 TlC– and TlK–X bonds ...............................................................................1086
Chapter twenty-four BDEs in the C-, Si-, Ge-, Sn-, Pb-clusters

and complexes ...............................................................................1087
24.1 Carbon and the ion clusters/complexes .................................................................1087
24.1.1 Carbon clusters/complexes .......................................................................1087
24.1.2 Positive carbon-ion clusters/complexes ..................................................1099
24.1.3 Negative carbon-ion clusters/complexes ................................................1136
24.2 Silicon and the ion clusters/complexes ..................................................................1140
24.2.1 Silicon clusters/complexes ........................................................................1140
24.2.2 Silicon-ion clusters/complexes .................................................................1147
24.3 Germanium clusters/complexes ..............................................................................1153
24.3.1 Germanium clusters/complexes ...............................................................1153
24.3.2 Germanium-ion clusters/complexes ........................................................1155
24.4 Tin clusters/complexes ..............................................................................................1156
24.4.1 Tin clusters/complexes ..............................................................................1156
24.4.2 Tin-ion clusters/complexes .......................................................................1157
24.5 Lead clusters/complexes ...........................................................................................1159
Chapter twenty-five BDEs in the N-, P-, As-, Sb-, Bi-clusters

and complexes ................................................................................1163
25.1 Nitrogen and the ion clusters/complexes ..............................................................1163
25.1.1 Nitrogen clusters/complexes ....................................................................1163
25.1.2 Positive nitrogen-ion clusters/complexes ...............................................1171
25.1.3 Negative nitrogen-ion clusters/complexes .............................................1219
25.2 Phosphorus clusters/complexes ..............................................................................1235
25.2.1 Phosphorus-cation clusters/complexes ...................................................1235
25.2.2 Phosphorus-anion clusters/complexes ....................................................1236
25.3 Arsenic clusters/complexes ......................................................................................1238
25.4 Antimony clusters/complexes ..................................................................................1239
25.5 Bismuth-ion clusters/complexes ..............................................................................1240
Chapter twenty-six BDEs in the O-, S-, Se-, Te-clusters and complexes ...................1243
26.1 Oxygen and the ion clusters/complexes ................................................................1243
26.1.1 Oxygen clusters/complexes ......................................................................1243
26.1.2 Positive oxygen-ion clusters/complexes .................................................1259
26.1.3 Negative oxygen-ion clusters/complexes ...............................................1300
26.2 Sulfur and the ion clusters/complexes ...................................................................1323
26.2.1 Sulfur clusters/complexes .........................................................................1323
26.2.2 Positive sulfur-ion clusters/complexes ...................................................1325
26.2.3 Negative sulfur-ion clusters/complexes .................................................1331
26.3 Selenium clusters/complexes ...................................................................................1341
26.4 Tellurium clusters/complexes ..................................................................................1346
Chapter twenty-seven BDEs in the halogenated molecules, clusters

and complexes .............................................................................1351
27.1 F–, FC–, and FK–X bonds ..........................................................................................1351
27.1.1 F–X bonds ......................................................................................................1351
27.1.2 FC–X bonds ...................................................................................................1355
27.1.3 FK–X bonds ...................................................................................................1355
27.2 Cl–, ClC–, and ClK–X bonds .....................................................................................1374
27.2.1 Cl–X bonds ....................................................................................................1374
27.2.2 ClC–X bonds .................................................................................................1377
27.2.3 ClK–X bonds .................................................................................................1379
27.3 Br–, BrC–, and BrK–X bonds .....................................................................................1399
27.3.1 Br–X bonds ....................................................................................................1399
27.3.2 BrC–X bonds .................................................................................................1401
27.3.3 BrK–X bonds .................................................................................................1402
27.4 I–, IC–, and IK–X bonds .............................................................................................1414
27.4.1 I–X bonds ......................................................................................................1414
27.4.2 IC–X bonds ...................................................................................................1416
27.4.3 IK–X bonds ...................................................................................................1417
27.5 At–X bonds ...................................................................................................................1427
Chapter twenty-eight BDEs in rare gas atom/ion clusters ..........................................1429

28.1 Rare gas atom clusters ...............................................................................................1429
28.1.1 Diatomic clusters .........................................................................................1429
28.1.2 Polyatomic clusters .....................................................................................1436
28.2 Rare gas ion clusters ...................................................................................................1446
Chapter twenty-nine Heats of formation of atoms, radicals, and ions ......................1453

29.1 Gaseous atoms .............................................................................................................1453
29.2 Small inorganic radicals in the gas-phase ..............................................................1455
29.2.1 Metallic radicals ...........................................................................................1455
29.2.2 Non-metallic radicals ..................................................................................1459
29.3 Organic radicals in the gas-phase ............................................................................1461
29.3.1 C-centered radicals ......................................................................................1461
29.3.2 O-centered radicals .....................................................................................1471
29.3.3 N-centered radicals .....................................................................................1474
29.3.4 S-centered radicals ......................................................................................1475
29.3.5 Si, Ge-, Sn-, and Pb-centered radicals ......................................................1476
29.4 Group additivity values for organic radicals .........................................................1478
29.5 Enthalpy of formation of monoatomic cations ......................................................1481
29.6 Enthalpy of formation of monoatomic anions .......................................................1484
References .................................................................................................................................1487
1946–1964 ..................................................................................................................................1487
1965–1969 ..................................................................................................................................1489
1970–1974 ..................................................................................................................................1494
1975–1979 ..................................................................................................................................1502
1980–1984 ..................................................................................................................................1511
1985–1989 ..................................................................................................................................1524
1990–1994 ..................................................................................................................................1540
1995–1999 ..................................................................................................................................1564
2000–2004 ..................................................................................................................................1591
2005–2006 ..................................................................................................................................1614
Index of compound classes ....................................................................................................1621
Index of compound names ....................................................................................................1633

chapter one
Introduction
1.1 Comprehensive database of the BDEs

Chemistry and biochemistry are based upon the concept of chemical bonds. Because most
chemical reactions involve the breaking and making of chemical bonds, chemists, bio-
chemists, and chemical engineers need a complete database of the experimental data of
bond dissociation energies (BDEs).
This book collects, classifies, reorganizes, assembles, compares, and recommends the
experimental BDE data of more than 19,600 bonds of 102 elements from over 5,500 publi-
cations. It is the most comprehensive book on the BDE data in all various reactants:
biatomic molecules; polyatomic molecules; organic compounds;

inorganic compound; organometallics; biochemicals;
radicals; ions; clusters;
supramolecules; hydrogen-bonded species; surface-bonded species;

van der Waals complexes; the isotopic species.
These detailed arrangements can help end-users performing a quick search for experi-
mental BDE data.
1.2 What is the BDE?

The homolytic BDE is defined as the enthalpy change in the following fission:
R X/ R C X: (1.1)
The BDE, DH0(RKX), of a RKX bond is derived in the usual way from the heats of
formation of the species involved in the above reaction:
DH0 ðR XÞ Z Df H0 ðRÞ C Df H0 ðXÞKDf H0 ðRXÞ: (1.2)
In this case, DfH0 represents the heats of formation of the respective species in the
ideal gas state at standard pressure and at a reference temperature of 298.15 K.
1
2 Comprehensive Handbook of Chemical Bond Energies
Therefore, the BDE is also called the bond dissociation enthalpy. Here, species RX rep-
resent molecules, radicals, ions, and complexes, as well as clusters. The BDEs are
commonly referred to as bond energies, bond strengths, binding energies, or bond
disruption energies (enthalpies). The BE or D are other simplified abbreviation of the
BDE in the literature.
The terms bond strength or binding energy are also widely used in scientific literature.
For example, bond strength is frequently used to describe dentins, glasses, ceramics, resins,
adhesives, and coatings; whereas, binding energy is used to describe selected electronic
levels in atoms. Clearly, the binding energy or bond strength in these cases is not
equivalent to the bond dissociation energy (enthalpy) in this volume.
In this volume, varied processes of the bond dissociation are included, such as:
Bond Dissociation Processes Examples
RKX/RCX (neutrals) CH4/CH3CH; Fe(CO)5/Fe(CO)4CCO

RCKX/RCCX (cations) (H3O)C(H2O)5/(H3O)C(H2O)4CH2O; FeC(CO)5/
FeC(CO)4CCO
RKKX/RKCX (anions) (NO2)K(CO2)5/(NO2)K(CO2)4CCO2; FeK(CO)4/
FeK(CO)3CCO
The BDEs in cations and anions can be derived based on the BDEs in naturals, ion-
ization energy (IE), and electron affinity (EA):
DH0 ðRCKXÞ Z Df H0 ðRCÞ C Df H0 ðXÞKDf H0 ðRCXÞ
Z DH0 ðRKXÞ C IEðRÞKIEðRXÞ (1.3)
DH0 ðRKKXÞ Z Df H0 ðRKÞ C Df H0 ðXÞKDf H0 ðRKXÞ
Z DH0 ðRKXÞKEAðRÞ C EAðRXÞ: (1.4)
Currently, heats of formation, DfH0(RX), of more than 7,000 compounds are known.
Most of them are available in the following publications: 1996GUR/VEY,
1994FRE/KAB, 1994PED, 1991GUR/VEY, 1989COX/WAG, 1988LIA/BAR,
1986PED/NAY, and two websites (1996NIST, 2003YUN). Additionally, two websites,
2001IUPAC and 2003NASA/JPL, provide critical evaluated data. The experimental
uncertainty in compounds’ heats of formation is generally within chemical accuracy
(i.e., G1 kcal/mol, 1 calorieZ4.184 J). From Equation 1.2, measurements of BDEs are
equivalent to measurements of heats of formation of free radical or ions, and vice versa.
Experimental BDEs can be derived directly from Equation 1.2. For example, we may
derive the BDE values of CH3–X, C2H5–X, where XZH, F, Cl, Br, I, OH, SH, NH2, CN,
NO, NO2, CH3, and C2H5, if DfH0(CH3) and DfH0(C2H5) are known. From that point, we
can derive more data of DH0(RCKX) and DH0(RKKX) by using Equation 1.3 and
Equation 1.4.
The number of confirmed compounds is close to thirty million (2006CAS). We must
estimate the heats of formation of compounds and BDEs using ab initio MO theory,
density functional theory (DFT), semi-empirical methods (such as PM3 and AM1), mol-
ecular mechanics, group additivity, and others. Burcat’s e-publication (2001BUR) and
Introduction 3
NIST website (2002NIST/COM) provide more information about calculated BDEs,

respectively. Although theoretical calculations are interesting and important, calculated
BDEs are not included in this book.
1.3 Why are reliable BDEs needed?

The earlier experimental BDE data were collected by the previous publications: 1946STE,
1950SZW, 1958COT, 1958SEM, 1962MOR, 1966VED/GUR, 1968GAY, 1970DAR,
1974GUR/KAR, and 1979HUB/HER. Since the 1980s, almost all the BDE data have
been updated. For example, the H–C BDE value in benzene increases to 111.2G
0.8 kcal/mol (1994BER/ELL) from 102 (1966VED/GUR) and 109.3 kcal/mol
(1974GUR/KAR). The C–C BDE value in ethane increases to 90.2G0.2 kcal/mol (see
Table 4.1) from 86G2 (1966VED/GUR) and 88.3G2.0 kcal/mol (1974GUR/KAR). The
recommended value of the H–OH BDE in water is also updated to 118.81G
0.07 kcal/mol (2002RUS/WAG) from 119.2G0.2 (1970DAR) and 119.30G0.05 kcal/mol
(1994BER/ELL).
The equilibrium constant Keq is very sensitive to any error in the BDEs. An error of 1, 2,
or 3 kcal leads to an error of a factor of 5.4, 29.2, or 158, respectively, in the equilibrium
constant Keq at 298 K. The current experimental uncertainty of absolute majority of BDE
data is within 1–2 kcal/mol; therefore, the uncertainty is greater than chemical accuracy
(G1 kcal/mol). Experimental BDE values will continue to be a source of lively controversy
among scientists now and in the foreseeable future. The current experimental uncertainty
for H–H, H–D, and D–D BDEs is G0.0001 kcal/mol (see 2004ZHA/CHE, or Table 11.1 in
chapter 11).
DH0 ðH–HÞ Z 104:1539 G 0:0001 kcal=mol or 435:7799 G 0:0001 kJ=mol
DH0 ðH–DÞ Z 104:9767 G 0:0001 kcal=mol or 439:2223 G 0:0002 kJ=mol
DH0 ðD–DÞ Z 105:9560 G 0:0001 kcal=mol or 443:3197 G 0:0003 kJ=mol
Several senior reviewers have made efforts to update known BDEs rapidly, such as
1966KER, 1969GOL/BEN, 1970ONE/BEN, 1978BEN, 1982MCM/GOL, 1986KEE/CAS,
1988COL, 1990SIM/BEA, 1994BER/ELL, 1994NOL, 1996CER, 1996FRE, 1996TSA,
1999COH, 2003BLA/ELL, and 2003OPE/RAB. However, the number of experimental
BDEs is increasing sharply. We now have collected experimental data on over 19,600
bonds of 102 elements. A new publication that completely compiles all available BDEs
will be of benefit to chemists, biochemists, and chemical engineers.
1.4 Scope of this book

The experimental BDEs of many important compounds have been measured many
times. A typical example is C–H BDE in methane. It has been reported as many as
fifty times since the 1930s, and the value spans from an early 98 kcal/mol to the
current 105.0G0.1 kcal/mol. Although we have collected experimental data, it is not
necessary to include all of the data in this book because most users are concerned
with reliable experimental values only.
This book will present recent experimental data for the given bonds, up to a maximum
of five values for each bond. It is hard to state definitively the most reliable data for the
BDEs. Recent measurements tend to be more generally reliable. Readers may search more
experimental data using the references listed.
The BDEs have been tabulated based on the center atom in the radicals, ions, clusters
and complexes. This volume collects the experimental BDEs in all varied reactants. The
scope is shown as:
Does This Book Other

Species and Energetics Include Them? Database
BDEs in diatomic molecules and ions
BDEs in organic compounds (including Neutral

C–, O–, N–, S–, Si–, Ge–, Sn–, Pb–, P–,
As–, Sb–, Bi–, Se–, and Te–X bonds) Ions
BDEs in inorganic compounds Neutral

Ions Yes
Neutral
BDEs in organometallic species Ions
Neutral
Ions
BDEs in clusters Metallic
Non-metallic
Supramolecules
Hydrogen-bonded species
Surface-bonded complexes
Van der Waals complexes
Proton affinities (PA) of species (1) 1998HUN/LIA

Electron affinities (EA) of species No (2) 1988LIA/BAR
Ionization energies (IE) of species (3) 1996NIST
The enthalpy change of the following processes is beyond the scope of this book. The
readers may use relative databases for searching these data. In fact, the enthalpy change
for these processes is related to the BDE:
Dissociation
Processes Examples and the Relations to BDEs
RH/RKCHC Gas-phase acidity, GPAZDacidH(RKH)ZDH0(RKKHC)ZDH0(RKH)KEA(R)CIE(H)

RX/RCCXK Heterolytic DH0(RCKXK)ZDH0(RKX)KEA(X)CIE(R)
RH/RCCHK Hydride affinity, HAZDH0(RC–HK)ZDH0(RKH)KEA(H)CIE(R)
Introduction 5
RHC/RCHC Proton affinity (Gas-phase basicity), PAZGPBZDH0(RKH)CIE(H)KIE(RH)

R/R%CCeK Ionization energy, IE(R)
RK/ RCeK Electron affinity, EA(R)
This book is divided four sections:
1. Chapter 1 and Chapter 2 are the Introductions. Chapter 3 through Chapter 28 are
the main body of this book.
2. Chapter 3 through Chapter 10 present C–, O–, N–, S–, Si–, Ge–, Sn–, Pb–, P–, As–,
Sb–, Bi–, Se–, and Te–X BDEs in the molecules and radicals.
3. Chapter 11 through Chapter 24 deliver experimental BDEs in inorganics, organo-
metallics, ions, clusters, supramolecules, hydrogen- and surface-bonded species,
van der Waals complexes, and isotopic species.
The BDEs in C–, Si–, Sn–, Pb–, N–, P–, As–, Sb–, Bi–, O, S–, Se–, Te–, and
halogen-clusters or complexes are presented in Chapter 25 through Chapter 28, respect-
ively. The arrangements of BDE data in these neutral, cations, anions, clusters, and
complexes are shown in the following Periodic Table. Here the numbers represent chap-
ters of the BDE data for these bonds.
4. Chapter 29 summarizes the heats of formation of atoms, inorganic and organic

radicals, and monoatomic cations or anions in the gas-phase.
1.5 On energy units

The SI unit of energy is joule (1 calorieZ4.184 joules). There are three options for energy
units: joule only, calories only, and both units. Using both units is a better choice.
Why? There are three reasons: (1) most heats of formation of radicals, ions and BDEs
used to be measured in kcal/mol, and (2) the range of the BDE values for common organic
species is from about 20 (as NaC–H2O, NHC K K
4 –NH3 , (HO4S) –H2O, NO2 –SO2 ) to 110 (as
H–C6H5, H–C2H3) kcal/mol. As you know, a lower number is easy to remember in our
everyday life, it is also the same in science. For example, we may easily remember
105.0 kcal/mol of H–CH3 BDE rather than 439.3 kJ/mol. (3) Most users prefer both units.
Traditional energy units (e.g., cmK1, eV, au, K, kcal/mol) are still used in many publi-
cations for measurements and calculations of BDEs. Therefore, the energy conversion
between non-SI (traditional) and SI units frequently needs to be made. The table of the
energy conversion is shown in Table 1.1.
Table 1.1 Energy Conversion Factors between Non-SI (Traditional) and SI Units for the BDEs
cmK1 eV au K
(wave number) (electron volt) (atomic unit) (Kelvin) kcal/mol kJ/mol
1 cmK1Z(for 1 1.239842(K4) 4.556335(K6) 1.438769 2.85914(K3) 1.196266(K2)

spectroscopy)
1 eVZ(for mass 8.06554(C3) 1 3.674931(K2) 1.16045(C4) 2.30605(C1) 9.64853(C1)

spectrometry)
1 hartree (au)Z(for 2.194746(C5) 2.72114(C1) 1 3.15773(C5) 6.27510(C2) 2.62550(C3)

theoretical
calculations)
1 KZ(for theoretical 6.95039(K1) 8.61738(K5) 3.16683(K6) 1 1.98722(K3) 8.31451(K3)

physics)
1 kcal/molZ(for 3.49755(C2) 4.33641(K2) 1.59360(K3) 5.03217(C2) 1 4.184

calorimetry)
1 kJ/molZ(SI unit) 8.35935(C1) 1.036427(K2) 3.808798(K4) 1.20272(C2) 2.39006(K1) 1
Numbers in parentheses denote powers of 10 by which the entry is to be multiplied. More details are available in
2002CRC.
1.6 How to search for BDEs in this book

In creating this handbook, the authors encountered a large number of experimental BDEs
from several thousand publications. The data are like goods in a large department store;
they should be organized in different locations for research’s purposes. In this book,
Introduction 7
these data are managed in various categories. The chemical bonds with most similar
structural environmentals are assembled in tables. There are 225 separated tables for
BDE data in this book. All tabulated values of the BDEs are systematized by the following
eight orders:
1. Bond class such as C–H, C–C, C–O, C–N, C–S, C–F, C–Cl, C–Br, C–I, and
so on.
2. Hetoroatom(s) and functional group(s) at a-position (relative to the broken bond)
such as O, CO, C(O)O, N, CN, NO, NO2, NN, S, SO, SO2, and more. The
heteroatom(s) and function group(s) have significant influence on the BDEs.
Organic chemistry is usually organized by the concept of functional groups.
Therefore, users must first figure out heteroatom(s) and functional group(s)
before searching the data. For example,
† The primary C–H BDE in C6H5CH2–H is listed in Table 3.4. In this book,
the boldface emphasizes the dissociated atom or group.
† The secondary C–H BDE in PhCH2COCH3 is listed in Table 3.6.1. There is
a CO group at the a-position of the C–H bond.
† The secondary C–H BDE in PhCOCH2NMe2 is listed in Table 3.6.3. There
are a CO group and an N atom at the a-position of the C–H bond.
† The secondary C–H BDE in PhCOCH2SO2Ph is listed in Table 3.6.4. There
are a CO group and a SO2 group at the a-position of the C–H bond.
3. Bond order (triple, double, and single) and the bond degree (primary,
secondary, or tertiary). The compounds with triple bond and primary BDEs
are listed first.
4. Saturated or unsaturated compounds. Saturated ones are listed first.
5. Molecular size. The BDEs of smaller molecules are arranged first.
6. Molecular shape (chain or cyclic). The BDEs of chain molecules are arranged
first.
7. While substituent(s)-containing, please first search the bonds in the parent
molecules. For example, the C–H BDEs in substituted toluene are listed
under C6H5CH2–H.
8. The BDEs in free radicals, ions, clusters, and complexes are collected in this
volume. The listed order is as follows: the BDEs in neutrals (including
free radicals), the BDEs in cations, and the BDEs in anions. For example,
Fe(CO)x–CO bonds are first; FeðCOÞC K
x –CO, second; then FeðCOÞx –CO bond.
C
NH 3 –NH 3 bond is first; (NH 3)H (NH 3) x –NH 3 bonds, second; then
(NH2)K(NH3)x–NH3 bonds. CC(C)x–C bonds are first, then CK(C)x–C bonds,
there xZ0, 1, 2, 3, etc.
The book’s contents and the two indexes (species classes and compound names) may
provide a method for quicker searching.
1.7 How to use the BDE data tables

All BDE data are filed into 225 separated tables. The C–H BDE in methane provides an
example of how to find the BDEs.
BDEs (boldfaceZ
The broken bonds
recommended data;
(boldfaceZdissociated Methods
references in parentheses)
atom) DfH0 (R), kcal/mol (references in
(kJ/mol) kcal/mol kJ/mol parentheses) References
Methane (1) 105.0G0.1 439.3G0.4 (1) VLPP (1) 1987DOB/BEN

(2) 105.3G0.7 440.6G2.9 (2) PIMS detection (2) 1988RUS/SEE(b)
CH3–H (3) 104.8G0.2 438.5G0.8 (3) Spectrometric (3) 1990SEE/RUS
detection
DfH0(R)Z35.06G0.1 (4) 105.3G0.6 440.6G2.5 (4) Resonance (4) 1991NIC/DIJ
(146.7G0.3) fluorescence
detection
(5) 104.99G0.03 439.28G0.13 (5) AE, revised (5) 1999RUS/LIT
The first column in this table shows the broken bonds. The boldface
emphasizes the dissociated atom or group; here, the H is boldfaced. For example, CH3CH2-
CH2CH3 shows a secondary C–H bond in n-butane is broken; (CH3CH2)3N shows
a secondary C–H bond in triethylamine is broken. All expressions are similar. The
heat of formation of free radicals is shown in this cell. Chapter 29 includes tables of all
DfH0(R).
The second column shows the experimental values of BDEs for the given bond. The
numbers (1), (2), (3), (4), and (5) show five different resources or references. The rec-
ommended value is emphasized by boldface.
The third column shows various experimental methods for the relevant BDE
value. For an explanation of terms, see the Notations and Abbreviations list in
this book.
The fourth column shows the references for the given experimental methods and for
the relevant BDE value. A maximum of five values are provided. This is sufficient for most
users. Readers can search for more references while using the references here.
The following provide three more examples:
BDEs (boldfaceZ
recommended data;
Methods
references in parentheses)
The broken bonds (references in
(boldfaceZdissociated group) kcal/mol kJ/mol parentheses) References
Methoxybenzene or anisole (1) 64.8 271.1 (1) VLPP (1) 1989SUR/KAF

(2) 65.2 272.8 (2) Tubular flow (2) 1993ARE/LOU
reactor
CH3–OC6H5 (3) 65.3 273.2 (3) VLPP (3) 2001PRA/HEE
(4) 64.2G1.7 268.6G7.1 (4) Der. from (4) 1986PED/NAY
DfH0 in ref.
a-Tocopherol (1) 78.9 330.1 (1) EPR (1) 1992JAC/HOS

Introduction 9
H (2) 78.9 330.1 (2) EPR (2) 1994LUC/PED

R5
(3) 80.9G1, in 338.5G4.2 (3) AOP (3) 1996BOR/LIU
O
sol.
CH2 R
(4) 79.3, in sol. 331.8 (4) PAC (4) 1996WAY/LUS
O
R7 CH3 (4) 77.3, in gas 323.4
CH3 (5) 78.23G0.25 327.31G1.05 (5) EPR (5) 2003VAL/BRI
R = (CH2CH2CHCH2)3 H
CH3
R5ZR7ZCH3
(Vitamin E)
d-Tocopherol (4) 82.2, in sol. 343.9

R5ZR7ZH (4) 80.2, in gas 335.6
(6) 81.9 342.8 (6) Correlation (6) 2000DEN/DEN
b-Tocopherol (6) 80.2 335.6

R5ZCH3, R7ZH
g-Tocopherol (6) 80.1 335.1

R5ZH, R7ZCH3
Diphenylamine, substituted
N
Y Y
YZp-Br (1) 88.1 368.6 (1) AOP (1) 1993BOR/ZHA

p-MeO (1) 84.2 352.3
(2) 83.3 348.6
(4) 81.8 342.2
p-Me (2) 85.4 357.5

(3) 86.3, in sol. 361.1 (3) PAC (3) 1997MAC/WAY
(3) 86.2, in gas 360.7
(4) 83.3 348.5 (4) EPR (4) 2002PRA/DIL
p-tBu (2) 85.8 358.8
p-N(CH3)2 (4) 79.5 332.6
1. The C–O BDE in methoxybenzen or anisole. The experimental data of BDE(C–O) are
from four different methods. The first three values are contributed from indepen-
dent measurements of different research groups. The last one is derived by Equation
1.2 where heats of formation of the parent molecules are taken from the given
reference, and heats of formation of atoms and radicals are taken from Chapter 29.
2. The weakest H–O BDEs in four tocopherols (vitamin E). They emphasize
the differences between experimental H–O BDEs in gas phase and liquid phase.
3. The H–N BDEs in substituted diphenylamine. They show the effects of various
remote substitutes Y on the H–N BDEs.
Similar arrangements are also for the BDEs in radicals, ions, and clusters from Chapter
11 through Chapter 28. Three examples are provided below:
1. The H-bond energies in water clusters. They are dimer, trimer, tetramer, pentamer,
hexamer, heptamer, and octamer if xZ0, 1, 2, 3, 4, 5, 6, respectively. These show the
H-bond energies significantly depend on the size of the clusters.
2. The FeC–C BDEs. Here L is the ligand and represents varied C-centered
radicals, e.g., C, CH, CH2, CH3, and CF2. The FeC–C BDEs vary with the ligands.
3. The Co–C BDE in vitamin B12 family. The table presents five experimental values.
4. The BDEs of van der Waals complexes H2O(ice, surface)–X in the atmosphere;
there X represents CO, HCl, O3, or CH4.
BDEs
(boldfaceZrecommended data;
The broken bonds reference in parentheses) Methods
(boldfaceZdissociated (reference in
fragment) kcal/mol kJ/mol parentheses) References
(H3O)C(H2O)x–H2O
xZ0 (1) 35.0G1.5 146G6 (1) HP MS (1) 1986HIR/TAK
(2) 33.5 140.2 (2) Review (2) 1992MEO
(3) 37.4G1.8 157G8 (3) GIM MS (3) 1993HON/SUN
(4) 36.0 150.6 (4) HP MS (4) 1997KEB/SEA
(5) 31.5G1.7 132G7 (5) GIB MS (5) 2004HON/ARM
1 (1) 20.2G1.5 85G6

(2) 20.8 87.0
(3) 22.2G0.8 93G3
(4) 22.3 93.3
(6) 20.9 87.4 (6) MS (6) 2003FRO/LOV(b)
2 (2) 17.4 72.8
(3) 17.9G0.5 74.9G2.1
(4) 17.0 71.1
(7) 17.9 74.9 (7) Review (7) 1994HIR/YAM
(8) 17.4 72.8 (8) FT-ICR (8) 1994THO/TON
3 (2) 12.3 51.5

(4) 15.3 64.0
(6) 12.8 53.6
(7) 12.7 53.1
(8) 13.9 58.2
4 (1) 11.8 49.4

(4) 13.0 54.4
(6) 12.2 51.0
(7) 11.6 48.5
(9) 10.5G0.6 43.9G2.5 (9) MS (9) 2003WAN/TSA
5 (1) 10.7 44.8

(4) 11.7 49.0
Introduction 11
(6) 10.6 44.4

(9) 9.4G0.9 39.3G3.8
(10) 12.0 50.3 (10) TOF MS (10) 1993SHI/FOR
6 (4) 10.3 43.1

(6) 10.0 41.8
(9) 9.5G0.5 39.7G2.1
(10) 9.8 40.9
(11) 6.7 28.0 (11) CID (11) 1991MAG/DAV
N (12) w10.5 w44.0 (12) Extrapolate (12) This volume
FeC–CH (1) 101G7 423G29 (1) PD (1) 1986HET/FRE

–CH2 (1) 82G7 343G29
(2) 82.6G1.5 346G6 (2) GIB MS (2) 1992SCH/ARM(b)
(3) 81.5G1 341G4 (3) Review (3) 1996ARM/KIC
–CH3 (1) 65G5 272G21

(3) 54.7G1.2 229G5
(4) !69 !289 (4) Ion reactions (4) 1979ALL/RID
(5) 69G5 289G21 (5) Ion reactions (5) 1984JAC/FRE(b)
(6) 57.1G2.3 239G10 (6) GIB MS (6) 1989FIS/SCH
Co–C bonds (1) 26G2 108.8G8.4 (1) Kinetics (1) 1984HAL/KIM

B12-Ado; AdoZ5 0 - (2) 30G2 125.5G8.4 (2) Kinetics (2) 1986HAY/FIN
deoxyadenosyl, (3) 34.5G1.8 144.3G7.5 (3) Kinetics (3) 1987HAY/FIN
B12Zcobinamide (4) 29.6G1.5 123.8G6.3 (4) Kinetics (4) 1997CHE/YAN
(5) 31.3G2.9 131G12 (5) PAC (5) 1998LI/LUO
H2O(ice, surf.)–CO (1) w2.4 w10 (1) FT-IR (1) 1998ALL/VER

(2) 2.5G0.05 10.4G0.2 (2) IR (2) 2000MAN/ROU
–HCl (3) R8.3 R34.7 (3) Mol. beam (3) 2000AND/NAG

(4) 5.7G0.5 24G2 (4) Mol. beam (4) 2005LOH/DAY
–O3 (5) 4.8 20 (5) FT-IR (5) 2001BOR/CHI
–CO2 (6) 6.2 25.9 (6) Review (6) 1991ELL/TUR

(7) 5.1G0.5 21.2G1.9 (7) TR mol. beam (7) 2004AND/NAG
H2O(ice, surf.)–H2O (1) 11.2 46.9 (1) NMR (1) 1987MIZ/HAN

(2) 13.9G0.2 58.2G0.8 (2) TPD (2) 2003SMI/LIV
(3) 12.0G1.4 50.2G5.9 (3) Kinetics (3) 2006PRA/BER
–H18
2 O (2) 13.8G0.2 57.7G0.8
–D2O (2) 14.8G0.4 61.9G1.7

chapter two
Experimental methods for

measuring BDEs
2.1 A summary of main experimental methods

The object of most end-users is to find reliable data. However, it is very helpful if the users
know experimental BDE data’s sources.
A very concise description of experimental methods is summarized in Table 2.1.
It provides main methods, measured quantities, applications, and references. This
description should aid the reader’s interpretation of the BDE data tables found throughout
this handbook.
Table 2.1 A Summary of Main Experimental Methods for Measuring BDEs
Experimental Methods Measured Quantities Applications References
Spectrometry Spacing of vibrational energy levels Diatomic (1) 1968GAY

molecules in (2) 1970DAR
gas phase (3) 1979HUB/HER
Pyrolysis kinetics, including Concentration of atoms, free radicals Species in gas

† Toluene carrier tech and molecules vs. time at different and solution 1950SZW
† Very low pressure temperatures, using various phase
pyrolysis (VLPP) detecting techniques, such as GC,
HPLC, MS, FT–IR, UV/VIS, EPR, (1) 1973GOL/SPO
NMR, resonance fluorescence, (2) 1979ROS/KIN
chemiluminescence, and so on (3) 1982MCM/GOL
† Shock tubes (1) 1992DOU/MAC

(2) 1997KIE/ZHA
† Single-pulse shock (1) 1981TSA

tubes (SPST) (2) 1999TSA
† Laser-powered (1) 1982MCM/LEW

pyrolysis (2) 1984LEW/GOL
(continued)
13
Table 2.1 (continued) A Summary of Main Experimental Methods for Measuring BDEs
Chemical equilibrium & Concentration of atoms, free radicals Species in gas (1) 1966KER
kinetics and molecules at one or several and solution (2) 1977KER
temperatures, using various phase (3) 1982CAS/GRI
detecting methods (4) 1982MCM/GOL
(5) 1984PAC/WIL
(6) 1990KOE/SCO
(7) 1990HAL
(8) 1992WAL
(9) 1994BER/ELL
Photolysis, including Correlation between BDEs and rate (1) 1966KER

constants or activation energies (2) 1978KAT/RAJ
(3) 2000DEN/DEN
† UV Concentration at one or several Species in gas (1) 1971LAU/OKA
temperatures, using various phase (2) 1995BOY/NOZ
analytical methods
† Radiolysis (1) 1990LIN/SHE

(2) 2001DAS
† Laser (1) 1987CHU/FOL
(2) 1988PEN/CAO
(3) 1997BEC/CAR
† Photosensitized 1967LOU/LAI
† Time-resolved 1996DUN
photodissociation
(TRPD)
Mass spectrometry (MS), Measure the given quantities and Species in gas (1) 2001ERV
including describe their correlation with phase (2) 2001GRO
BDEs (3) 2002SAB/FUJ
(4) 2003OPE/RAB
† Electron impact (EI) Ion intensities vs. electron energy (1) 1979BER
(2) 1984HOL/LOS
(3) 1992HOL
† Guided ion beam (GIB) Ion intensities vs. ion kinetic energy (1) 1995ARM
(2) 1998DET/ERV
(3) 2003ARM(b)
† High pressure (HPMS) Ion intensities vs. temperature (1) 1994BUS/KEM
(2) 1994BOW
(3) 1999MCM
† Ion cyclotron resonance Ion intensities, vs. time, vs. electron, (1) 1980DEF/MCI
(ICR) or photon energy (2) 2000BOR/ING
(3) 1999ABB/NOT
Experimental Methods for Measuring BDEs 15
† High temperature Ion intensities vs. temperature 1984MAR

† Photoionization (PIMS) Ion intensities vs. photon energy (1) 1994BER/ELL
(2) 1994BAR
† Pulsed high pressure Ion intensities at one or several (1) 1989MEO
temperatures (2) 1993SHA/KEB
† Kinetic method Ion intensities 1994COO/PAT

† Kinetic energy release Ion intensities vs. product kinetic 1992BEA
distributions energy
† Threshold ionization Ion intensities below a selected (1) 2002BRA/MEH
ionization threshold (2) 2002BRA/NEU
Photospectrometry, including Measure the given quantities and Species in gas (1) 1999WEN/LIN
describe their correlation with phase (2) 2000NG
BDEs (3) 2001ERV
† Photoelectron (PES) Electron count vs. electron kinetic (1) 1984MEA
energy (2) 1994BER/ELL
† Electron photo- Ion intensities vs. photon energy (1) 1987WET/BRA
detachment (2) 1989CHE/ALB
† Flowing afterglow (FA) Ion intensities, vs. time, or vs. ion (1) 1992SQU
kinetic energy (2) 1994BER/ELL
† Collision-induced Collision energy vs. cross section (1) 1994WEN/SQU
dissociation (CID) (2) 2001HAM/WEN
(3) 2003ARM(B)
† Photoionization MS Ions are detected by MS 1994BER/ELL
(PIMS)
† TPEPICO Threshold photoelectron photoion 2005LAR/KER
coincidence
Electrochemical, including Acidity, reversible redox potentials Species in (1) 1993BOR/ZHA

solution (2) 1993WAY/PAR
† Acidities and oxidation (3) 1993ARN/FLO
potentials (AOP) (4) 1995BOR/SAT
Photoacoustic calorimetry Amplitude of photoacoustic signal Species in (1) 1989KAM/GIL

(PAC) and solution transmittance solution (2) 1994PET
(3) 1999LAA/MUL
(4) 1999SAN/LAG
† Time-resolved PAC (5) 2002SAN/MUR
† Laser-induced (6) 2003GIT/JIA
photoacoustic
calorimetry (LIPAC)
† Laser-induced time- (7) 2003CHE/LI
resolved photoacoustic
calorimetry
(continued)
Table 2.1 (continued) A Summary of Main Experimental Methods for Measuring BDEs
Calorimetry
† Microcalorimetrc Heats of combustion, vaporization, Species in solid, (1) 1995LEB/CHI
and formation solution, or (2) 2004SIL/MAT
gas–solid
surface
† Solution titration Reaction heats (3) 1992BUR
(3) 1992HOF
(4) 1995NOL
† Gas–solid surface Femtomole adsorption heats on (5) 1998BRO/KOS
single-crystal surface (6) 1998CER
Thermal desorption An adsorbed surface is heated and Gas–solid (1) 1986WOO/DEL

spectroscopy (TDS) desorbing species are detected interface (2) 1990JON/NIE
with MS, IR or others
Temperature programmed-
desorption (TPD)
Helium atom scattering Monoenergetic beam of helium Gas–solid 1996HOF/TOE

(HAS) atoms are scattered from ordered interface
surfaces and detected
The readers may find more methods for determining the BDEs in e-publication (2002SIL).
2.2 The conversion between D0, De, and DH0

Related energies are often encountered when searching for experimental BDE data.
D0 the bond dissociation energy at 0 K

De the electronic energy, i.e., the minimum on the potential energy curve or surface or
the well depth.
D0(RKX) may be determined from De, as shown in figure:
Energy Dissociated fragments (R + X) at 298 K
ro Enthalpy change from 0 to 298 K

0 distance
o
DH
Do
Associated species RX at 298 K

Enthalpy change from 0 to 298 K
Associated species RX at 0 K
Zero point energy
De
Experimental Methods for Measuring BDEs 17
D0 Z De KDðZPEÞ (2.1)
Here D(ZPE) is the change of the zero point vibrational energies in the species involved in
the bond dissociation processes, the dissociating state as the energy reference.
For diatomic molecules and Morse potential, the approximate relationship follows:
u2e u ux
D0 x K eC e e
4ue xe 2 4
u2e
De x (2.2)
4ue xe
u ux
DðZPEÞ Z e K e e
2 4
Here ue and xe are the spectroscopic parameters.

In general, the relationship between the dissociation enthalpy change and tempera-
ture must be determined to make the conversion from D0 to DH0. There are four methods
for this conversion.
1. Thermochemical calculations (2005RUS/BOG).

2. Calculations by quantum chemistry (1997CUR/RAG; 2000CIO/SCH;
2002NIST/COM).
3. Using NIST-JANAF Thermochemical Tables (1998CHA).
4. Simple approximation. This is good for biatomic, triatomic, and tetraatomic
species. This method is reviewed below.
2.2.1 Diatomic molecules

From thermodynamics, the enthalpy change, DH, and internal energy change, DE, for the
bond dissociation processes is described as
DH Z DE C DðPVÞ (2.3)
Where D(PV) is the molar work that is equal to D(RT), assuming 1 molar ideal gas. For
diatomic species, a vibrational free degree becomes a translational one because of the bond
dissociation. An approximate equation is obtained as
3
DH Z DE C RT zD0 C RT (2.4)
2
For TZ298.15 K, the BDE is derived based on the experimental D0 at 0 K
3
BDE h DH0 zD0 C RT
2 (2.5)
Z D0 C 0:8886 kcal=mol Z D0 C 3:7181 kJ=mol
Here the R is the gas constant; the H in the nomenclature DH0 emphasizes that the BDE is
the enthalpy change of the dissociation processes. The superscript ‘0’ denotes the standard
conditions of thermodynamics.
2.2.2 Polyatomic molecules

For the bond dissociation process of polyatomic molecules at the standard conditions of
thermodynamics
RKX/ R C X
The formation heat for each species at TZ298.15, K is estimated
Df H0 Z E0 C ZPE C ðEtrans C Erot C Evib Þ C RT (2.6)
where E0 is the internal energy, Etrans, Erot, and Evib are the translational, rotational,
and vibrational contribution to the enthalpy, respectively. According to the definition of
the BDE
DH0 Z Df H0 ðRÞ C Df H0 ðXÞKDf H0 ðRXÞ

(2.7)
Z De KDðZPEÞ C DEth C RT
or
DH0 Z D0 C DEth C RT (2.8)
where
De Z DE0 Z E0 ðRÞ C E0 ðXÞKE0 ðRXÞ (2.9)
DðZPEÞ Z ZPEðRÞ C ZPEðXÞKZPEðRXÞ (2.10)
DE0 represents the internal energy change of the dissociation reactions. DEth is the change
associated with the traslational, rotational, and vibrational energy in going from TZ0 to
298.15 K. The following is this general result:
N
D Eth R RT (2.11)
2
Here N is the increasing number of translation and rotational degrees of freedom because
of the dissociation reactions. NZ1 for diatomic species; NZ2 for non-linear triatomic ones
(as H–OH); and NZ3 for non-linear tetraatomic ones (as H–NH2). Therefore, there is a
simple relationship
N
DH0 % D0 C C 1 RT (2.12)
2
For diatomic molecules, the D(ZPE) and DEth become the simplest and are given by
1 1
DðZPEÞ z ue Z hn (2.13)
2 2
3 3 3 1
DEth Z RT C RT K RT C RT Z RT (2.14)
2 2 2 2
Here h is the Plank constant, and n is the vibrational frequency. Finally, Equation 2.5
is reproduced.
chapter three
BDEs of C–H bonds
3.1 Chain saturated hydrocarbons

Table 3.1 C–H BDEs in Chain Saturated Hydrocarbons
BDEs (boldfaceZ
recommended data;
The broken bonds Methods
reference in parentheses)
(boldfaceZdissociated atom), (reference in
DfH0(R), kcal/mol (kJ/mol) kcal/mol kJ/mol parentheses) References
Methane (1) 105.0G0.1 439.3 G0.4 (1) VLPP (1) 1987DOB/BEN

CH3–H (2) 105.3G0.7 440.6G2.9 (2) PIMS detect. (2) 1988RUS/SEE(b)
DfH0(R)Z35.06G0.1 (3) 104.8G0.2 438.5G0.8 (3) Spectro. detec. (3) 1990SEE/RUS
(146.7G0.3) (4) 105.3G0.6 440.6G2.5 (4) RF detect. (4) 1991NIC/DIJ
(5) 104.99G0.03 439.28G0.13 (5) AE, revised (5) 1999RUS/LIT
Methane, deuteride or tritide

CH3–D 106.0G1 443.5G4.2 Review 1974GUR/KAR
CD3–D 107.3G1 448.9G4.2
CT3–D 106.6G1 446.0G4.2
CH3–T 106.8G1 446.9G4.2
CD3–T 107.8G1 451.0G4.2
CT3–T 106.4G2 445.2G8.4
Ethane (1) 100.5G0.5 420.5G2.1 (1) Kinetics (1) 1984PAC/WIN

CH3CH2–H (2) 100.5G0.5 420.5G2.1 (2) RF detect. (2) 1986BRO/LIG
DfH0(R)Z28.4G0.3 (3) 100.8G0.7 421.7G2.9 (3) PIMS detect. (3) 1988RUS/SEE(b)
(118.8G1.3) (4) 101.0G0.4 422.6G1.7 (4) PIMS detect. (4) 1992SEA/PIL
(5) 100.5G0.3 420.5G1.3 (5) VLPP (5) 1997DOB/BEN
(continued)
19
Table 3.1 (continued) C–H BDEs in Chain Saturated Hydrocarbons
BDEs (boldfaceZ
recommended data;
Propane (1) 99.9G1.0 418.0G4.2 (1) Radical buffer (1) 1982CAS/GRI

CH3CH2CH3 (2) 99.8G2 417.6G8.4 (2) AE (2) 1992HOL
DfH0(R)Z23.8G0.5 (100G2) (3) 100.9G0.5 422.2G2.1 (3) SPST (3) 1996TSA
(4) 101.2G0.5 423.4G2.1 (4) PIMS detect. (4) 1997SEE/SLA
Propane (1) 98.1G0.7 410.5G2.9 (1) PIMS detect. (1) 1988RUS/SEE(b)

CH3CH2CH3 (2) 98.9G0.6 413.8G2.5 (2) PIMS detect. (2) 1990SEE/RUS
DfH0(R)Z21.0G0.7 (88G3) (3) 98.6G0.4 412.5G1.7 (3) PIMS detect. (3) 1992SEA/PIL
(5) 97.4G1.0 407.5G4.2 (5) SPST (5) 1999TSA
Butane (1) 101G2 422.6G8.4 (1) EI (1) 1958COT

CH3CH2CH2CH3 (2) 100.2 419.2 (2) AE (2) 1988HOL/LOS
DfH0(R)Z18.6G0.5 (77.8G2.1) (3) 100.7 421.3 (3) SPST (3) 1990WAL/TSA
Butane (1) 99.1G0.4 414.6G1.7 (1) PIMS detect. (1) 1990SEE/RUS

CH3CH2CH2CH3 (2) 98.3G0.5 411.1G2.2 (2) RF detect. (2) 1992SEA/PIL
DfH0(R)Z16.2G0.5 (67.8G2.1) (3) 98.6G0.5 412.5G2.1 (3) Review (3) 1996TSA
(4) 98.3G0.5 411.3G2.1 (4) PIMS (4) 1997SEE/SLA
(5) 97.4G1.0 407.5G4.2 (5) SPST (5) 1999TSA
iso-Butane (1) 100.2G1 419.2G4.2 (1) Exp. analysis (1) 1976BEN

(CH3)2CHCH3 (2) 99.3G2 415.5G8.4 (2) AE (2) 1992HOL
DfH0(R)Z16.7G1.0 (70G4) (3) 101.6G0.5 425.1G2.1 (3) PIMS detect. (3) 1997SEE/SLA
(4) 100.9G1 422.0G4.2 (4) SPST (4) 1999TSA
iso-Butane (1) 95.6G0.7 400.0G2.9 (1) SPST (1) 1985TSA

(CH3)3C–H (2) 95.0 397.5 (2) VLPP (2) 1987BEN/KON
DfH0(R)Z11.5G0.7 (48G3) (3) 95.5G0.7 399.6G2.9 (3) RF detect. (3) 1991SEA/PIL
(4) 95.5G0.3 399.6G1.3 (4) RF detect. (4) 1992SEA/PIL
(5) 95.7G0.7 400.4G2.9 (5) RF detect. (5) 1996TSA
BDEs of C–H Bonds 21
Pentane 100.2 419.2 Derived from 1986PED/NAY

nC5H11–H DfH0 in ref.
DfH0(R)Z13(54.4)
Neo-pentane (1) 99.4G1 415.9G4.2 (1) Polanyi plot (1) 1966KER

(CH3)3C(CH3) (2) 100.3G1 419.7G4.2 (2) Kinetics (2) 1969LAR/HAR
DfH0(R)Z8.7G2 (36.4G8.2) (3) 99.4G1 415.9G4.2 (3) SPST (3) 1969TSA
(4) 101G2 422.6G8.4 (4) Review (4) 1982MCM/GOL
(5) 101.1 423 (5) LP (5) 2001IMR/DOB
Pentane 99.2 415.1 Derived from 1986PED/NAY

CH3CH2(CH2)2CH3 DfH0 in ref.
DfH0(R)Z12 (50.2)
Pentane 99.1 414.5 Correlation 2005DEN/TUM

CH3CH2CH2CH2CH3
2-Methylbutane (1) 91.6G2 383.3G8.4 (1) SPST (1) 1969TSA

(CH3CH2)CH(CH3)2 (2) 96.5G1 403.8G4.2 (2) SPST (2) 1981TSA
DfH0(R)Z7 (29) (3) 92.6 387.4 (3) PES (3) 1986KRU/BEA
(4) 95.8 400.8 (4) SPST (4) 1999TSA
(5) 96.1 402.0 (5) Correlation (5) 2005DEN/TUM
Hexane 99.0 414.2 Derived from 1986PED/NAY

CH3(CH2)4CH3 DfH0 in ref.
DfH0(R)Z8 (33.5)
Hexane 98.0 410.0 Derived from 1986PED/NAY

DfH0(R)Z7(29.3)
Hexane 99.1 414.5 Correlation 2005DEN/TUM

CH3CH2CH2CH2CH2CH3
(continued)
Table 3.1 (continued) C–H BDEs in Chain Saturated Hydrocarbons
BDEs (boldfaceZ
recommended data;
2,2,Dimethylbutane 98.0 410.2 Correlation 2005DEN/TUM

(CH3)3CCH2CH3
2-Methylpentane (1) 94.7G2 396.2G8.4 (1) Pyrolysis (1) 1983SER/GOR

(n-C3H7)CH(CH3)2 (2) 95.4 399.3 (2) Correlation (2) 2005DEN/TUM
DfH0(R)Z0.8G2 (3.3G8.2)
2,3-Dimethylbutane (1) 95.4G3.1 399.2G13.0 (1) Equilibrium (1) 2000KIR/KOR

(iso-C3H7)CH(CH3)2 (2) 94.7 396.4 (2) Correlation (2) 2005DEN/TUM
DfH0(R)Z0.7G2.4(3.1G10)
3-Methylpentane 95.5 399.7 Correlation 2005DEN/TUM

(CH3)CH(C2H5)2
Heptane 98.0 410.0 Derived from 1986PED/NAY

DfH0(R)Z2(8.2)
Heptane 99.1 414.5 Correlation 2005DEN/TUM

CH3CH2CH2(CH2)3CH3
Heptane 99.4 415.7 Correlation 2005DEN/TUM

CH3(CH2)2CH2(CH2)2CH3
3-Methylhexane 94.9 397.1 Correlation 2005DEN/TUM

(CH3)CH(C2H5)(C3H7)
2,4-Dimethylpentane 95.6 400.0 Correlation 2005DEN/TUM

(CH3)2CHCH2CH(CH3)2
2,2,Dimethylpentane 95.5 399.6 Correlation 2005DEN/TUM

(CH3)3CCH(CH3)2
Octane 99.1 414.5 Correlation 2005DEN/TUM

CH3(CH2)4CH2CH2CH3
Octane 99.4 415.7 Correlation 2005DEN/TUM

CH3(CH2)3CH2(CH2)2CH3
2,2,4-Trimethylpentane 95.6 400.0 Correlation 2005DEN/TUM

(CH3)2CHCH2C(CH3)3
2,3-Dimethylhexane 96.7 405.4 Correlation 2005DEN/TUM

(CH3)2CHCH(CH3)(C3H7)
2,5-Dimethylhexane 95.6 400.0 Correlation 2005DEN/TUM

(CH3)2CHCH2CH2CH(CH3)2
3-Methyloctane 94.8 396.6 Correlation 2005DEN/TUM

(CH3)CH(C2H5)(n-C5H11)
2,2,5-Trimethylhexane 95.4 399.1 Correlation 2005DEN/TUM

(CH3)3C(CH2)2CH(CH3)2
3.2 Chain unsaturated hydrocarbons

Table 3.2 C–H BDEs in Chain Unsaturated Hydrocarbons
BDEs (boldfaceZ
recommended data;
Acetylene (1) 134.9G1.2 564.4G5.0 (1) AE (1) 1979BER

HCbC–H (2) 132.9G0.7 556.1G2.9 (2) PEDt (2) 1990ERV/GRO
DfH0(R)Z135.6G0.2 (3) 133.1G0.7 556.9G2.9 (3) GPA (3) 1994BER/ELL
(567.4G0.8) (3) 132.8G0.7 556.6G2.9 (3) Recommended
(4) 133.32G0.07 557.81G0.30 (4) Photolysis (4) 1994MOR/ASH
(5) 131.3G0.7 549.4G2.9 (5) EA (5) 2002KIR/TSC
Acetylene, substituted (1) 130.2G3, 544.8G12.6 (1) PES (1) 1995ROB/POL

X–CbC–H 0K
XaCH3
DfH0(R)Z123G3.0 (515G13)
BFK
3 (2) 130.8 547.3 (2) MS (2) 1999HIL/POU
Ph (3) 133G5 556.5G21 (3) GPA (3) 2003REE/HAR
C(O)OCH3 (3) 132G5 552.3G21
CC(O)N(CH3)2 (3) 132G5 552.3G21
Diacetylene 128.8G2.9, 0 K 539G12 CID 2000SHI/ERV

HCbC–CbC–H
Propyne (1) 89.2G2.4 373.2G10.0 (1) VLPP (1) 1979KIN/NGU

CHbCCH3 (2) 87.2G2 364.8G8.4 (2) AE (2) 1988HOL/LOS
DfH0(R)Z81.0G1.0 (339G4) (3) 90.3G3 377.8G12.6 (3) GPA (3) 1995ROB/POL
(4) 88.9G1.0 372.0G4.2 (4) Recommended (4) 1996TSA
(5) 91.8G1.0 384.1G4.2 (5) SPST (5) 1999TSA
2-Butyne (1) 90.7 379.5 (1) SPST (1) 1978TSA

CH3CbCCH3 (2) 87.4G2 365.7G8.4 (2) VLPP (2) 1982NGU/KIN
DfH0(R)Z72.8 (304.5) (3) 84.8 354.7 (3) Correlation (3) 2000DEN/DEN
(4) 91.3 382.0 (4) Derived (4) 2004JAN/ROS
1-Butyne (1) 85.0 355.6 (1) VLPP (1) 1981NGU/KIN

HCbCCH2CH3 (2) 87.3 365.3 (2) SPST (2) 1981TSA
DfH0(R)Z75.6 (316.5) (3) 83.1G2.2 347.7G9.2 (3) Review (3) 1982MCM/GOL

(5) 89.1 373.0 (5) Derived (5) 2004JAN/ROS
1-Penten-3-yne 86.8 363.3 VLPP 1992STA/KIN

CH2aCHCbCCH3
DfH0(R)Z84.0 (351.5)
2-Pentyne 87.3G2.3 365.3G9.6 VLPP 1981KIN/NGU

CH3CbCCH2CH3
DfH0(R)Z65.2G2.2 (272.8G9.2)
1-Pentyne 83.6G2 349.8G8.4 AE 1976LOS/TRA

HCbCCH2CH2CH3
DfH0(R)Z66.2G2.0 (277.0G8.4)
3-Methyl-1-butyne (1) 82.5G2 345.2G8.4 (1) AE (1) 1976LOS/TRA

HCbCCH(CH3)2 (2) 81.0G2.3 338.9G9.6 (2) VLPP (2) 1977KIN
DfH0(R)Z61.5G2.2 (257.3G9.2)
4-Methyl-2-pentyne 82.3G2.7 344.3G11.3 VLPP 1981KIN/NGU

CH3CbCCH(CH3)2
DfH0(R)Z53.0G2.2 (221.8G9.2)
5-Decyne 83.2 348.2 Correlation 2005DEN/TUM

CH3(CH2)3CbCCH2(CH2)2CH3
Triacetylene (1) 126.8G1.6 530.5G6.7 (1) GPA (1) 1994NAT/KOC

HCbC–CbC–CbC–H (2) w129.8G3 w543G13 (2) Re-evaluated (2) 2001ERV
Ethylene (1) 110.1G2 460.7G8.4 (1) Kinetics (1) 1981STE/ROW

H2CaCH2 (2) 111.2G0.8 465.3G3.3 (2) Recommended (2) 1994BER/ELL
DfH0(R)Z71.6G0.8 (3) 110.2G0.4 461.1G1.3 (3) FT-IR-GC (3) 1996KAI/WAL
(299.6G3.3) (4) 110.7G0.6 463.0G2.7 (4) GPA, revised (4) 2002ERV/DET
(5) 110.9G0.6 464.2G2.5 (5) TPEPICO (5) 2005LAG/BAE
(continued)
Table 3.2 (continued) C–H BDEs in Chain Unsaturated Hydrocarbons
BDEs (boldfaceZ
recommended data;
Allene (1) 92.4G1.2 386.6G5.0 (1) Kinetics (1) 1971WAL

CH2aCaCH2 (2) 88.7G3 371.1G12.6 (2) GPA (2) 1995ROB/POL
DfH0(R)Z81.0G1 (338.9G4)
Propene (1) 109G2.4 456.1G10.0 SPST (1) 1988CUI/HE

CH3CHaCH2 (2) 111.1 464.8 (2) 1999TSA
DfH0(R)Z63.8G1.5 (266.9G6)
Propene (1) 87.2G0.5 364.8G2.1 (1) PST (1) 1991ROT/BAU

CH2aCHCH3 (2) 88.8G0.4 371.5G1.7 (2) GPA (2) 1996ELL/DAV
DfH0(R)Z40.8G0.7 (171G3) (3) 88.2G0.7 369G3 (3) Recommended (3) 1996TSA
(4) 88.8G0.4 371.5G1.7 (4) PES (4) 1996WEN/POL
1,3-Bytadiene 114.4 478.8 Derived 2004JAN/ROS

CH2aCHCHaCH2
DfH0(R)Z87.1 (364.4)
1,3-Bytadiene 102.2 427.7 Derived 2004JAN/ROS

CH2aCCHaCH2
DfH0(R)Z74.9 (313.3)
Buta-1,2-diene 89.9 376.3 Derived 2004JAN/ROS

CH2aCaCHCH3
(Z)-2-Butene (1) 89.7 375.3 (1) SPST (1) 1999TSA

(Z)-CH3CHaCHCH3 (2) 85.0 355.8 (2) Correlation (2) 2000DEN/DEN
DfH0(R)Z34.9G2 (146G8)
(E)-2-Butene 85.3 356.8 Correlation 2000DEN/DEN

(E)-CH3CHaCHCH3
1-Butene (1) 98.1 410.5 (1) PES (1) 1984SCH/HOU

CH2aCH–CH2CH3 (2) 98.2 410.9 (2) Correlation (2) 2005DEN/TUM
DfH0(R)Z46.0 (192.5)
1-Butene (1) 82.3 344.3 (1) SPST (1) 1969TSA

CH2aCH–CH2CH3 (2) 82.6G1.3 345.6G5.4 (2) Review (2) 1982MCM/GOL
DfH0(R)Z32.5 (136.2) (3) 83.8 350.6 (3) PA (3) 1987LIA/AUS
(4) 83.5 349.2 (4) Correlation (4) 2001TUM/DEN
(5) 85.6 358.2 (5) Derived (5) 2004JAN/ROS
iso-Butene (1) 85G2 355.6G8.4 (1) MS (1) 1977LIA/AUS

CH2aC(CH3)(CH3) (2) 86.7G0.6 362.8G2.5 (2) Shock tube (2) 1991ROT/BAU
DfH0(R)Z33.0 (137.9) (3) 88.3G2.3 369.4G9.6 (3) PES (3) 1996WEN/POL
(4) 89.1 372.8 (4) SPST (4) 1999TSA
(5) 89.9 376.3 (5) Derived (5) 2004JAN/ROS
1,3-Pentadiene (1) 79.8G1.0 333.9G4.2 (1) Iodination (1) 1973ONE/BEN

CH2aCHCHaCHCH3 (2) 79.7G1.0 333.5G4.2 (2) Pyrolysis (2) 1980TRE
DfH0(R)Z49G3 (205G12.6) (3) 83G3 347.3G12.6 (3) Review (3) 1982MCM/GOL
2,3-Pentadiene 87.2 365.0 Correlation 2000DEN/DEN

CH3CHaCaCHCH3
1,4-Pentadiene (1) 79.5G1.7 332.6G7.1 (1) Isomerization (1) 1970EGG/JOL

(CH2aCH)2CH2 (2) 76.4 319.7 (2) Pyrolysis (2) 1982TRE
DfH0(R)Z49.7G1.0 (3) 76.6G1.0 320.5G4.2 (3) PAC (3) 1991CLA/CUL
(207.9G4.2) (3) 76.6G1.0 320.5G4.2 (3) AE
(4) 77.5 324.4 (4) Derived (4) 2004JAN/ROS
1-Pentene (1) 82.5G2 345.2G8.4 (1) AE (1) 1976LOS/TRA

CH2aCHCH2CH2CH3 (2) 83.4 348.8 (2) Correlation (2) 2000DEN/DEN
DfH0(R)Z26.2G2 (109.6G8.4)
2-Methyl-1-butene 83.0 347.2 Correlation 2000DEN/DEN

CH2aC(CH3)CH2CH3
(continued)
BDEs (boldfaceZ
recommended data;
3-Methyl-1-butene (1) 79.5G1.7 332.6G7.1 (1) Isomerization (1) 1970EGG/JOL

CH2aCHCH(CH3)2 (2) 76.4 319.7 (2) Pyrolysis (2) 1982TRE
DfH0(R)Z20.8G2 (3) 83.1 347.7 (3) Re-anal. (3) 1998BRO/BEC
(87.0G8.4) (4) 81.2 339.7 (4) Correlation (4) 2000DEN/DEN
3-Methyl-1-butene 100.9 422.1 Correlation 2005DEN/TUM

CH2aCHCH(CH3)2
3-Methyl-2-butene 84.2 352.4 Correlation 2000DEN/DEN

CH3CHaC(CH3)2
2-Ethyl-1-propene (1) 85.1G2 356.1G8.4 (1) AE (1) 1976LOS/TRA

CH2aC(CH2CH3)CH3 (2) 87.9 367.7 (2) Correlation (2) 2005DEN/TUM
DfH0(R)Z26.2G2.0 (109.6G8.4)
Penta-2,3-diene 87.2 365.0 Correlation 2005DEN/TUM

CH3CHaCaCHCH3
(E)-2-Pentene (1) 81.7G1.5 341.8G6.3 (1) Derived from (1) 1986PED/NAY

(E)-CH3CHaCHCH2CH3 DfH0 in ref.
(Z)-2-Pentene (1) 80.6G1.5 337.2 (1) Derived from (1) 1986PED/NAY

(Z)-CH3CHaCHCH2CH3 DfH0 in ref.
1-Hexene 83.4 348.8 Correlation 2001TUM/DEN

CH2aCHCH(CH2)2CH3
2,3-Dimethyl-1,3-butadiene 89.6G3.1 374.9G13.0 Derived 2005FAT/KAS

CH2aC(CH3)C(CH3)aCH2
3-Methyl-1,4-pentadiene (1) 76.6G1.0 320.5G4.2 PAC (1) 1991CLA/CUL

(CH2aCH)2CH(CH3) (2) 77 322.2 (2) 1999LAA/MUL
DfH0(R)Z46.3 (202.0)
2,3-Dimethyl-2-butene (1) 78.0G1.0 326.4G4.2 (1) Iodination (1) 1973ROD/WU

(CH3)2CaC(CH3)2 (2) 84.3 352.8 (2) Correlation (2) 2005DEN/TUM
DfH0(R)Z9.5G1.5 (39.7G6.3)
4-Methyl-3-pentene 79.3 332.0 Correlation 2001TUM/DEN

(CH3)2CaCHCH2CH3
(Z)-4-Methyl-2-pentene 79.8 333.9 Correlation 2001TUM/DEN

(Z)-(CH3)2CHCHaCHCH3
2,3-Dimethyl-1-butene (1) 76.3G1.0 319.2G4.2 (1) Iodination (1) 1973ROD/WU

CH2aC(CH3)CH(CH3)2 (2) 83.9 351.1 (2) Correlation (2) 2005DEN/TUM
DfH0(R)Z9G1.5 (37.7G6.3)
1,3-Octediene 79.3 332.0 Correlation 2001TUM/DEN

CH2aCHCHaCHCH2(CH2)2CH3
1-Octene 83.4 348.9 Correlation 2000DEN/DEN

CH2aCHCH2(CH2)4CH3
(E)-2-Octene 81.9 342.7 Correlation 2000DEN/DEN

(E)-CH3CHaCHCH2(CH2)3CH3
(Z)-2,5-Dimethyl-3-hexene 80.3 336.1 Correlation 2001TUM/DEN

(Z)-(CH3)2CHCHaCHCH(CH3)2
Nona-1,8-diene 83.6 349.8 Correlation 2005DEN/TUM

CH2aCHCH2(CH2)4CHaCH2
(continued)
BDEs (boldfaceZ
recommended data;
(Z)-Non-2-ene 82.2 344.0 Correlation 2005DEN/TUM

(Z)-CH3CHaCHCH2(CH2)4CH3
E,E-Deca-2,7-diene 81.6 341.6 Correlation 2005DEN/TUM

CH3CHCHCH2(CH2)3CHCHCH3
Z,Z-2,8-Decediene 81.6 341.6 Correlation 2001TUM/DEN

CH3CHaCH(CH2)4CHaCHCH3
1-Hexadecene 83.4 348.8 Correlation 2001TUM/DEN

CH2aCHCH2(CH2)12CH3
Allyl triphenyl, phosphonium 85.9 359.4 AOP 1996ZHA/FRY

bromide
Ph3PCCH2CHaCH2 BrK
3-Phenyl-allyl triphenyl 81.0 338.9 AOP 1996ZHA/FRY

phosphonium, bromide
Ph3PCCH2CHaCHPh BrK
3.3 Cyclic hydrocarbons

Table 3.3 C–H BDEs in Cyclic Hydrocarbons
BDEs (boldfaceZ
recommended data;
Cyclo-propene
H
2 H
3
1 H
H
C–H at 1 site (1) 103G3 431.0G12.6 (1) GPA (1) 2002KAS/BRO
DfH0(R)Z105.1G4.1
(439.7G17.2)
C–H at 3 (2) 90.4G4 378.3G12.6 (2) ICR (2) 1980DEF/MCI
Cyclo-propane (1) 101G3 422.6G12.6 (1) Polanyi plot (1) 1966KER

H (2) 100.2G0.4 419.3G1.7 (2) Kinetics (2) 1978APP/KLU
(3) 106.3G0.25 444.8G1.0 (3) VLPP (3) 1979BAG/BEN
H
(4) 105.9G2.7 443.1G11.3 (4) ICR (4) 1980DEF/MCI
DfH0(R)Z66.9G0.3 (279.9G1.3) (5) 102.5 429.0 (5) Correlation (5) 2001TUM/DEN
Methyl-cyclo-propane
CH2 H 97.4G1.6 407.5G6.7 Iodination 1971MCM/GOL
DfH0(R)Z51.1G1.6
(213.8G6.7)
3,3-Dimethyl-cyclo-propene
H CH3
2
106.7G3.7 446.4G15.5 GPA 2003FAT/MCC
3
1 CH3
H
(continued)
Table 3.3 (continued) C–H BDEs in Cyclic Hydrocarbons
BDEs (boldfaceZ
recommended data;
Cyclo-butane (1) 95G3 397.5G12.6 (1) Polanyi plot (1) 1966KER

(2) 96.5 403.8 (2) Polanyi plot (2) 1971FER/WHI
H
(3) 96.8G1.0 405.0G4.2 (3) Iodination (3) 1972MCM/GOL
H (4) 97.8G0.3 409.2G1.3 (4) Kinetics (4) 1978APP/KLU
DfH0(R)Z52.4G1.0 (219.2G4.2) (5) 100.0 418.5 (5) Correlation (5) 2001TUM/DEN
1,3-Dimethylene-cyclo-butane
79.3G3.1 331.8G13.0 Derived 2005FAT/KAS

H
H
1-Phenyl-cyclo-butene
85.6G2.6 358.2G10.9 FT-MS 2005FAT/LIS
C6H5 H
1-Phenyl-cyclo-buten-3-yl
76G4.2 318.0G17.6 FT-MS 2005FAT/LIS

H
C6H5
6,6-Dimethylfulvene
Me 6 CH2
H 84.5 353.5 AOP 1989BOR/HAR
1
5 2
4 3
1,3-cyclo-Pentadienes,
substituted
CH2 86.5G2 361.9G8.4 VLPP 1981STE

H
1,3-cyclo-Pentadiene,
substituted
1 (1) 82.9G2.2 346.9G9.2 (1) ICR (1) 1980DEF/MCI

5 2 (2) 81.2 339.7 (2) AOP (2) 1988BOR/CHE
4 3
(3) 83.9G0.5 351.0G2.1 (3) Electrochemical (3) 1991PAR/HAN
at 1 site H (4) 82.5G1 345.2G4.2 (4) RST (4) 2001ROY/BRA
DfH0(R)Z65.5G1.7 (274.1G7.3) (5) 85.6G1.7 358G7 (5) TR-PAC (5) 2006NUN/AGA
at 1,4 site Ph2 (6) 75 313.8 (6) AOP (6) 1991BOR/CHE
1,3-cyclo-Pentadienes, substituted
R H
R R
R R
RZMe (1) 77 322.2 (1) AOP (1) 1989BOR/HAR
DfH0(pentamethyl-cyclo-
pentadienyl)Z16.1G1.0
(67.4G4.2)
Ph (1) 78 326.4
(2) 74.1 310.0 (2) Pyrolysis (2) 1995ROT/HUN
Cyclo-pentene (1) 82.3G1 344.3G4.2 (1) Iodination (1) 1970FUR/GOL(b)

(2) 82G2 343.1G8.4 (2) AE (2) 1976LOS/TRA
H
H
DfH0(R)Z38.4G1.0
(160.7G4.2)
Cyclo-pentane, substituted (1) 94.9G1 397.1G4.2 (1) Iodination (1) 1970FUR/GOL

(2) 95.0G2 397.5G8.4 (2) AE (2) 1976LOS/TRA
X
(3) 96.0G0.2 401.7G0.8 (3) Kinetics (3) 1978APP/KLU
H
(4) 95.6G1 400.0G4.2 (4) Radical buffer (4) 1982CAS/GRI
XaH (5) 97.6 408.5 (5) Correlation (5) 2001TUM/DEN
DfH0(R)Z25.3G1.0
(105.9G4.2)
Me (5) 93.7 392.3
Et (5) 93.7 392.2
Ph (6) 81.9 342.7 (6) Correlation (6) 1994TUM/DEN
cyclo-C5H9 (7) 91.3 382.2 (7) Correlation (7) 2005DEN/TUM
(continued)
BDEs (boldfaceZ
recommended data;
3-tert-Butylbi-cyclo(1.1.1)- 109.7G3.3 459.0G13.8 GPA 2002REE/KAS

pentane
H
tBu
Spiro-pentane
H
H
0
DfH (R)Z91.0G1.0 98.8G1 413.4G4.2 Polanyi plot 1971FER/WHI
(380.7G4.2)
Spiro-pentane w102 w426.8 GPA 1988KAS/CHO
1,3-cyclo-Hexadiene (1) 73G5 305.4 (1) Review (1) 1982MCM/GOL

(2) 73.2 306.3 (2) Kinetics (2) 1985DEA
H
(3) 74.3 310.9 (3) VLPP (3) 1991STE/BRO
H (4) 74.3 310.9 (4) PAC (4) 1997LAA/MUL
0
DfH (R)Z47.6(199.2) (5) 79.1 330.9 (5) Correlation (5) 2001TUM/DEN
1,4-cyclo-Hexadiene,
substituted
(1) 70 292.9 (1) Pyrolysis (1) 1968JAM/SUA
X
(2) 76.0G1.2 318.0G5.0 (2) SPST (2) 1986TSA
H
(3) 73G2 305.4G8.4 (3) PAC (3) 1989GRI/WAY
H (4) 77 322.2 (4) PAC (4) 1999CIR/KOR
X
XaH
DfH0(R)Z48.2G1.2
(201.7G5.0)
Me (5) 80.4 336.4

Cyclo-hexene, substituted
X'
X
H
(1) 81.9 342.7 (1) AOP (1) 1988BOR/CHE
XaH,X 00 aH (2) 87G3 364G13 (2) Mol. beam (2) 1989ZHA/CON
DfH0(R)Z28.6(119.7) (3) 81.6 341.5 (3) Correlation (3) 2000DEN/DEN
H Me (4) 81.0 338.9 (4) Correlation (4) 2001TUM/DEN
Me H (4) 79.5 332.7
Cyclo-hexene, substituted 78.0 326.2 Correlation 2001TUM/DEN
H
H
Me Me
Cyclo-hexane, substituted (1) 96.2 402.5 (1) Kinetics (1) 1978APP/KLU

X (2) 99.5 416.3 (2) SPST (2) 1981TSA
(3) 96.4G0.6 403.3G2.5 (3) EPR (3) 1982CAS/GRI
H
(4) 98 410.0 (4) PAC (4) 1999CIR/KOR
XaH (5) 97.7 408.8 (5) Correlation (5) 2005DEN/TUM
DfH0(R)Z18G1.5 (75.3G6.3)
Me (5) 94.3 394.5
Et (5) 94.5 395.5
CHaCH2 (5) 81.7 341.8
Ph (6) 85.2 356.4 (6) Correlation (6) 2000DEN/DEN
CCl3 (7) 93.5 391.1 (7) Correlation (7) 2005DEN/TUM
cyclo-C6H11 (7) 92.3 386.3
Cyclo-hexane, substituted
(Z)-1,2-Me2 93.9 392.8 Correlation 2001TUM/DEN

(E)-1,2-Me2 97.4 407.7
(Z)-1,3-Me2 93.9 393.0
(E)-1,3-Me2 93.3 390.3
(Z)-1,4-Me2 93.7 392.0
(continued)
BDEs (boldfaceZ
recommended data;
(E)-1,4-Me2 94.8 396.6
1,3,5-cyclo-Heptatriene (1) 82.9G7 346.9G29.3 (1) EI (1) 1960HAR/HON

(2) 73G1 305.4G4.2 (2) Pyrolysis (2) 1969VIN/DAU
H
(3) 73G2 305.4G8.4 (3) ICR (3) 1979BAR/SCO
H (4) 76.6G3 320.5G12.6 (4) ICR (4) 1980DEF/MCI
DfH0(R)Z68.2G3 (285.3G12.6) (5) 73.2G2 306.3G8.4 (5) Review (5) 1982MCM/GOL
1,3-cyclo-Heptadiene 83.0 347.3 Correlation 2001TUM/DEN
H
H
Cyclo-heptene 82.8 346.6 Correlation 2001TUM/DEN
H
H
Cyclo-heptane, substituted (1) 93G3 389.1G12.6 (1) Polanyi plot (1) 1966KER
(2) 94.0 393.3 (2) Kinetics (2) 1970JON/WHI
X (3) 92.5G1 387.0G4.2 (3) Photobromin. (3) 1971FER/WHI
H (4) 92.5G1 387.0G4.2 (4) Review (4) 1982MCM/GOL
XaH (5) 96.5 403.9 (5) Correlation (5) 2001TUM/DEN
DfH0(R)Z12.1G1 (50.6G4.2)
Me (5) 93.2 390.0
Et (5) 93.8 392.4
Norbornane
7
4
3
1 5
2 6
H (1) 96.7G2.5 404.6G10.5 Iodination (1) 1970ONE/BAG
DfH0(R)Z32.6G2.5 (2) 99.4 415.9 (2) 1971DAN/TIP
(136.4G10.5)
Quadricyclane
3
4 H
5 6
2
7
1
DfH0(R)Z138.3G1.3 109.4G1.3 457.7G5.4 Ion flow tube 1996LEE/DEP
(578.6G5.4)
Quadricyclane
3 H
4 6
5
2 7
1
(587.4G5.4)
Norboradine
H
H
7
4
3
5
1
2
6

(511.7G7.9)
Cubane
H
DfH0(R)Z198.6G4 102G4 426.8G16.7 GPA 1997HAR/EMR

(830.9G16.7)
Bicyclo-octane
DfH0(R)Z22.0 (92.0) 97.7 408.8 Kinetics 1971DAN/TIP
(continued)
BDEs (boldfaceZ
recommended data;
Cyclo-octadiene
H
79.3 331.8 Correlation 2001TUM/DEN
H
Cyclo-octadiene
H
H 83.0 347.1 Correlation 2005DEN/TUM
Cyclo-octene
H
85.4 357.2 Correlation 2001TUM/DEN
H
Cyclo-octane, substituted
X
H
XaH 95.7 400.2 Correlation 2001TUM/DEN

Me 94.4 395.0
Et 93.7 392.3
Spiro(2.5)-octa-4,6-diene
H H 70.7 295.6 Correlation 2001TUM/DEN
Cyclo-nonanes, substituted
X
H
XaH 96.3 402.9 Correlation 2001TUM/DEN

Me 94.4 394.8
Adamantane
H
12
(1) 97.0 405.8 (1) Kinetics (1) 1971DAN/TIP
(2) 96.2 402.5 (2) AP (2) 1998AUB/HOL
DfH0(R, at 1 site)Z12.3 (3) 98.5 412.0 (3) Correlation (3) 2001TUM/DEN
(51.5) (4) 93.0 389.0 (4) Derived (4) 2002MIR/LEB
DfH0(R, at 2 site)Z14.8 (2) 100.2 419.2
(61.9) (3) 98.5 412.0
(5) 98.4 411.7 (5) PES (5) 1986KRU/BEA
Cyclo-decane 96.7 404.5 Correlation 2001TUM/DEN

cyclo-C10H19–H
Cyclo-undecane 96.7 404.7 Correlation 2001TUM/DEN

cyclo-C11H21–H
Cyclo-dodecane 98.0 410.0 Correlation 2001TUM/DEN

cyclo-C12H23–H
(Z)-Decalin
H 93.5 391.1 Correlation 2001TUM/DEN

H
(E)-Decalin
H 95.6 400.0 Correlation 2001TUM/DEN

H
(Z)-Pinane
Me
Me H 90.2 377.4 Correlation 2001TUM/DEN
Me
3.4 Aromatic hydrocarbons

Table 3.4 C–H BDEs in Aromatic Hydrocarbons
BDEs (boldfaceZ
recommended data;
Benzene (1) 112.3G1 469.9G4.2 (1) Iodination (1) 1967ROD/GOL

(2) 111.2G0.8 465.3G3.3 (2) GPA (2) 1994BER/ELL
H
(3) 113.5G0.5 474.9G2.1 (3) Ion flow tube (3) 1995DAV/BIE
DfH0(R)Z78.9G0.8 (330.1G3.3) (4) 113.2G2 474G8 (4) Recommend. (4) 1996TSA
(5) 112.9G0.5 472.2G2.2 (5) GPA, revised (5) 2002ERV/DET
C6D5–D (6) 113.5G0.5 474.9G2.1 (6) GPA (6) 2003REE/HAR
Phenyl
H H
1
6 2
5 3
4
H
H
H
C–H at site 2 (1) 79.9G3.1 334.3G13.0 (1) CID (1) 1994WEN/SQU
(2) 76.7G3.1 321G13 (2) FT-MS (2) 2004PRA/FAT
3 (1) 95.3G3.2 398.7G13.4
4 (1) 110.6G3.4 462.8G14.2
3,5-Didehydrophenyl
H 109.2G5.6 456.9G23.4 CID 2002LAR/NAS
5-Dehydro-1,3-quinodimethane
CH2
H 112G4 468.6G16.7 GPA 2004SLI/MUN
CH2
Benzene, substituted
H
Y
YZ2-C(O)OK (1) 113.9 476.6 Correlation (1) 1998WEN/SQU
K
3-C(O)O (1) 110.4 461.9
4-C(O)OK (1) 112.3 469.9

2-C(O)OH (1) 114.5 479.1
DfH0(R)ZK7.9 (K33.1)
3-C(O)OH (1) 114.0 477.0
H0(R)ZK8.4 (K35.1)
4-C(O)OH (1) 113.8 476.1
DfH0(R)ZK8.6 (K36.0)
4-Br (2) 115.5 483.1 (2) 2005DEN/TUM
4-Me (2) 113.5 474.8
4-NO2 (2) 117.3 490.7
Toluene, hydridopenta- %115.3 %482 IR CL 1988WAT/SET

CH3C6D4–D
Toluene (1) 88.1G2.2 368.6G9.2 (1) ICR (1) 1980DEF/MCI
CH2 (2) 88.6 370.7 (2) SPST (2) 1990WAl/TSA

H
(3) 88.5G1.5 370.3G6.3 (3) Recommended (3) 1994BER/ELL
DfH0(R)Z49.7G0.4 (4) 89.6G1.0 375G4 (4) Recommended (4) 1996TSA
(208.0G1.7) (5) 90.9G1.2, in sol 380.5G5.1 (5) TR- PAC (5) 2004MUR/SAN
(5) 89.7G1.2, in gas 375.5G5.0
Toluene, substituted
CH2 H
Y
YZ3-F (1) 89.4 374.0 (1) PA (1) 1982MEO

(2) 88.8G2.1 371.5G8.8
(10) 89.1 373.0 (2) PES (2) 1999KIM/WEN
4-F (2) 87.6G2.1 366.5G8.8 (3) PES (3) 1986HAY/KRU
(10) 88.7 371.0
(4) Correlation (4) 2000DEN/DEN
2-Cl (2) 89.0G3.1 372.4G13.0
(5) Correlation (5) 2002KRO/TUM
3-Cl (2) 89.8G2.1 375.7G8.8
(4) 89.9 376.1 (6) AOP (6) 1995BOR/ZHA(c)
4-Cl (2) 87.5G2.1 366.1G8.8 (7) AOP (7) 1993ZHA/BOR
(4) 88.7 371.3
(10) 89.7 375.3 (8) CID (8) 2000HAM/WEN
2-Br (2) 90.2G3.1 377.4G13.0 (9) CID (9) 2001HAM/WEN
3-Br (2) 90.1G3.1 377.0G13.0 (10) Correlation (10) 2005DEN/TUM
(4) 89.7 375.4
4-Br (2) 88.5G3.1 370.3G13.0
(5) 90.8 380.1
(continued)
Table 3.4 (continued) C–H BDEs in Aromatic Hydrocarbons
BDEs (boldfaceZ
recommended data;
2-CH3 (3) 87.3 365.3

(10) 89.5 374.6
3-CH3 (3) 87.8 367.4
(10) 89.5 374.3
4-CH3 (3) 87.7 366.9
(10) 89.0 372.5
4-Et (5) 87.0 363.9
2-iso-Pr (5) 87.6 366.6
3-iso-Pr (5) 86.8 363.2
4-Pr (5) 87.0 363.9
4-tert-Bu (10) 89.3 373.8
3-CN (5) 88.7 371.2
4-CN (5) 88.0 368.0
3-NO2 (5) 89.6 375.0
4-NO2 (6) 86.5 361.9
(10) 88.8 371.4
4-PhO (10) 90.2 377.3
4-PhSO2 (7) 88 368.2
4-CH2OCH3 (5) 85.4 357.5
3-MeO (5) 90.5 378.8
4-MeO (5) 86.6 362.5
3-EtOC(O) (5) 89.1 372.7
4-EtOC(O) (5) 89.4 374.1
4-CH(MeO)2 (10) 84.2 352.2
Toluene, di-substituted
2,4-Cl2 (5) 88.6 370.9 (4) Correlation (4) 2000DEN/DEN
3,4-Cl2 (5) 88.3 369.6 (5) Correlation (5) 2002KRO/TUM
2,3-Me2 (5) 89.5 374.3
2,4-Me2 (4) 89.1 373.0
3,5-Me2 (10) 89.4 373.9 (10) Correlation (10) 2005DEN/TUM
Toluene, multi-substituted 88.6 370.9 Correlation 2000DEN/DEN

2,3,4,5,6-Me5
Toluene, other-substituted
3-CH%2 (1) 90.7G2.9 379.5G12.1 CID (1) 2000HAM/WEN
3,5-(CH%2) (2) 88.2G5.0 369.0G20.9 (2) 2001HAM/WEN
p-iso-Toluene
H
64G3 267.8G12.6 Derived 1990BAR/GRI
H
Toluene bromide 87.7 367 AOP 1997CHE/LIU

C6H5CH2HCBrK
Ethylbenzene, substituted
(1) 84.6 354.0 (1) VLPP (1) 1981ROB/STE

H (2) 86.2 360.7 (2) Proton affinity (2) 1982MEO
(3) 85.4G1.5 357.3G6.3 (3) Review (3) 1982MCM/DOL
CH CH3
Y (4) 90.3 377.8 (4) Re-anal. (4) 1998BRO/BEC
YaH (5) 87.0 364.1 (5) Correlation (5) 2000DEN/DEN
DfH0(R)Z40.4 (169.0)
p-C2H5 (6) 86.5 362.0 (6) Correlation (6) 2002KRO/TUM
p-Br (6) 87.1 364.6
p-tert-Bu (6) 86.5 362.1
p-MeOC(O) (6) 87.0 364.1
2,3,4,5,6-Penta-Et (7) 90.8 380.2 (7) Correlation (7) 2005DEN/TUM
Vinylbenzene 98.4G3.1 411.7G12.9 Derived 2005FAT/KAS

PhCHaCH2
Prop-2-enylbenzene 84.4 353.1 Correlation 1994TUM/DEN

PhCH2CHaCH2
n-Propylbenzene (1) 86.1 360.2 (1) PA (1) 1982MEO

PhCH2C2H5 (2) 87.5 366.2 (2) Correlation (2) 2000DEN/DEN
(continued)
BDEs (boldfaceZ
recommended data;
iso-Propylbenzene, substituted
H
C(CH3)2
Y
YZ2,5-Me2 86.7 362.9 Correlation 2005DEN/TUM
4-tert-Bu 83.5 349.3
2,5-Me2-4-iso-Pr 87.9 367.8
2,4,5-(iso-Pr)3 89.7 375.3
tert-Butylbenzene 98.6 412.6 Correlation 2005DEN/TUM

C6H5C(CH3)2CH2–H
(E)-1-Phenylpropene 78.9G2.6 330.1G10.9 FT-MS 2002GLA/MAK

(E)-Ph-CHaCH-CH2–H
Phenylacetonitrile 81.5 341.0 AOP 1991BAU/FAS(b)

PhCH2CN
1-Methoxyphenylacetonitrile 76.2 318.8 AOP 1991BAU/FAS(b)

PhCH(CN)MeO
Cationic niobium h2-acyl
Cl
(C5Me5)2 Nb O+
C H 82G3 343.1G12.6 Electrochemical 1997KER/ZHA

C6H5
C2H5
1-Phenyl-cyclo-propene
H
Ph 92.1G3.8 385.3G15.9 Derived 2005FAT/KAS
1-Phenyl-cyclo-butene
H
4 85.6G2.6 358.2G10.9 FT-MS 2002GLA/MAK
Ph 1
23
H
Cyclo-pentylbenzene
H
88.0 268.2 Correlation 2002KRO/TUM
Cyclo-hexylbenzene
H
Diphenylmethane (1) 84G2 351.5G8.4 (1) VLPP (1) 1991STE/BRO

Ph2CH2 (2) 84.5G0.5 353.5G2.1 (2) Electrochem. (2) 1991PAR/HAN
DfH0(R)Z72.2G1.0 (3) 85.8 359.0 (3) Re-anal. (3) 1998BRO/BEC
(5) 81.8 342.3 (5) AOP (5) 2002ALN/ZHA
Diphenylmethane, substituted 80 334.7 AOP 1989BOR/HAR

(p-PhC6H4)2CH2
4-Hydroxydiphenylmethane 89.3G1.0 373.5G4.2 TR-PAC 2004COR/SAN

(4-OH-C6H4)CH2C6H5
Bis(4-hydroxyphenyl)methane 89.8G1.1 375.8G4.7 TR-PAC 2004COR/SAN

(4-OH-C6H4)2CH2
1,2-Diphenylethane 87.0 364.1 Correlation 2000DEN/DEN

PhCH2CH2Ph
2-Phenylpropane (1) 83.6 349.8 (1) VLPP (1) 1981ROB/STE

PhCH(CH3)2 (2) 84.4G1.5 353.1G6.3 (2) Review (2) 1982MCM/GOL
DfH0(R)Z32.0G1.0 (3) 83.2G1 348.1G4.2 (3) PAC (3) 1997LAA/BOR
(133.9G4.2) (4) 87.3 365.3 (4) Re-anal (4) 1998BRO/BEC
(continued)
BDEs (boldfaceZ
recommended data;
1,1-Diphenylethane (1) 81G2 338.9G8.4 (1) VLPP (1) 1981STE

Ph2C(CH3)CH (2) 82.8 346.4 (2) Re-anal. (2) 1998BRO/BEC
Thiphenylmethane, substituted
C H
Y′
(1) 81G2 338.9G8.4 (1) AOP (1) 1991PAR/HAN
(2) 80.8G3 338.1G12.6 (2) AOP (2) 1993BOR/ZHA(b)
Y ′′
(3) 79.0 330.5 (3) AOP (3) 1997ARN/FLO
YZp-H, Y 0 Zp-H, Y 00 Zp-H (4) 82.7 346.0 (4) Correlation (4) 2000DEN/DEN
DfH0(Ph3C)Z93.7G2 (5) 85.4 357.3 (5) Correlation (5) 2002KRO/TUM
(392.0G8.4)
p-MeO, p-MeO, p-MeO (3) 78.1 326.8
p-MeO, p-MeO, p-H (3) 79.3 331.8
p-Me, p-Me, p-Me (3) 79.0 330.5
p-MeO, p-H, p-H (3) 80.7 337.6
p-Me, p-Me, p-H (3) 80.3 336.0
p-Me, p-H, p-H (3) 79.1 331.0
p-tBu, p-tBu, p-tBu (3) 74.4 311.3
Thiphenylmethane, substituted 82.3 344.3 AOP 1993BOR/ZHA(b)

(p-HC6F4)3C–H
1,1,3,3-Tetraphenylpropene 77 322.2 AOP 1989BOR/HAR

Ph2CaCHCH(Ph)2
1,1,3,5,5-Pentaphenyl-1,4- 75.1 314.2 AOP 1991BOR/CHE

pentadiene
Ph2CaCHCH(Ph)CHaCPh2
Benzo-cyclo-propene
H
91.1G7.5 381.2G31.4 GPA 1997MOO/LUB
H
Benzo-cyclo-butene
H
H 92G4 384.9G16.7 GPA 2000GLA/MAK
Benzo-cyclo-butadiene
H
114G4 477.0G16.7 GPA 2000BRO/KAS(b)
Indane
H
H
DfH0(R)Z48.8G2 (204.2G8.4) 85.3 357.0 Correlation 2000DEN/DEN
Indene (1) 84G3 351.5G12.6 (1) Review (1) 1982MCM/GOL

H (2) 81.5G0.5 341.0G2.1 (2) Electrochem. (2) 1991PAR/HAN
H
(3) 81.1G2.4 339.3G10.0 (3) ICR (3) 1997ROM/JAN
(4) 83.0 347.3 (4) Re-anal. (4) 1998BRO/BEC
0
DfH (indenyl)Z71 (297.1) (5) 81.2 339.9 (5) Correlation (5) 2001TUM/DEN
Indene, substituted
H H
1
7 2
6 3 Y
5 4
YZ2-Br (1) 80.9 338.5 (1) AOP (1) 1992BOR/SAT

3-Me (1) 77.6 324.7
3-tert-Bu (1) 78.5 328.4
2-Ph (1) 79.3 331.8
(2) 84G3 351.5G12.6 (2) VLPP (2) 1981STE
(continued)
BDEs (boldfaceZ
recommended data;
3-Ph (1) 75.3 315.1

3-MeO (1) 76.4 319.7
3-MeS (1) 74.1 310.0
2-PhS (1) 80.2 335.6
3-CN (1) 77.9 325.9
3-cyclo-C4H8N (1) 70.3 294.1
2-cyclo-C4H8N (1) 83.5 349.4
3-cyclo-C5H10N (1) 72.3 302.5
2-cyclo-C5H10N (1) 82.5 345.2
3-cyclo-OC4H8N (1) 73.4 307.1
2-cyclo-OC4H8N (1) 82.8 346.4
2-(4-MeOC6H4) (1) 79.3 331.8
2-(4-MeC6H4) (1) 79.1 331.0
3-C(O)NH2 (1) 77.7 325.1
2-C(O)OMe (1) 79.2 331.4
3-C(O)OMe (1) 77.6 324.7
6-NO2-3-Me (1) 78.4 328.0
1,2,3-Ph3 (1) 75.8 317.1
Tetralin
X H
X'
H
(1) 82.9G1.2 346.9G5.0 (1) PAC (1) 1997LAA/MUL
XaH X 0 aH (2) 83.6 349.6 (2) Correlation (2) 2000DEN/DEN
DfH0(R)Z37G1.2 (154.8G5.0) (3) 82.6 345.6 (3) Correlation (3) 2002KRO/TUM
Me H (3) 80.4 336.4
Me Me (4) 80.5 336.8
1,5,7-Trimethyltetralin
H CH3
CH3
CH3
1,4-Dihydronaphthalene
H H
83.0 347.3 Re-anal. of 1997RUC/GER

pyrolysis data
1,2-Dihydronaphthalene
H (1) 86.0 359.8 (1) Re-anal. (1) 1997RUC/GER

(2) 80.4 336.5 (2) Correlation (2) 2002KRO/TUM
H
Naphthalene (1) 112.2G1.3 469.4G5.4 (1) FT MS (1) 2000REE/KAS

H (2) 113.4G5.2 474.5G21.8 (2) Neg. ion cycle (2) 2001LAR/SQU
(3) 112.8G3.3 472G14 (3) Neg. ion (3) 2001ERV/RAM
1 spectroscopy
2
DfH0(R)Z96.0G1.3
(401.7G5.4)
Naphthalene (1) 111.9G1.4 468.2G5.9 (1) FT MS (1) 2000REE/KAS

H (2) 115.4G4.9 482.8G20.5 (2) Neg. ion cycle (2) 2001LAR/SQU
1
2 (3) 113.8G4.8 476G20 (3) Negative ion (3) 2001ERV/RAM
spectroscopy
DfH0(R)Z95.7G1.4
(400.4G5.9)
2-Naphthyl anion
H H
H
8 1
7 2
6 3
5 4
H H
H H
C–H at 3 site 93G3 389.1G12.6 Derived 2000REE/HAR
6 site 106G4 443.5G16.7
(continued)
BDEs (boldfaceZ
recommended data;
2-Naphthyl radical
H H
H
8 1
7 2
6 3
5 4
H H
H H
6 site 107G4 447.7G16.7
1-Methylene-1,4-
dihydronaphthalene

H
1-Methyl-naphthalene
H
CH X
1
2
(1) 84.3G1.5 352.7G6.3 (1) VLPP (1) 1980MCM/TRE

X'
XaH X 0 aH (2) 85.1G1.5 356.1G6.3 (2) Review (2) 1982MCM/GOL
DfH0(1-R)Z60.4 (252.7) (3) 87.3 365.1 (3) Correlation (3) 2000DEN/DEN
CN X 0 aH (4) 81.3 340.2 (4) AOP (4) 1988BOR/CHE(b)
H X 0 ZMe (5) 86.8 363.1 (5) Correlation (5) 2002KRO/TUM
2-Methyl-naphthalene
CH X
1
78 2
Y 6 5 4 3
XaH YaH (1) 85.6 358.3 (1) Correlation (1) 2002KRO/TUM

Me H (1) 87.1 364.6
SO2Ph H (2) 89 372.4 (2) AOP (2) 1988BOR/BAU

CN H (3) 81.4 340.6 (3) AOP (3) 1988BOR/CHE(b)
H 3-Me (1) 86.8 363.3
H 6-Me (1) 86.8 363.2
1-Ethylnaphthalene
H CH3
C
H 87.1 364.4 Correlation 2000DEN/DEN
1
2
4,5-Methylene-phenathrene
5 4 81 338.9 AOP 1989BOR/HAR
H2C CH H
9,10-Dihydroanthracene,
substituted
H X
(1) 78 326.4 (1) AOP (1) 1988BOR/CHE

(2) 78 326.4 (2) PAC (2) 1989GRI/SIM
H X' (3) 77 322.2 (3) Kinetics (3) 1990MAL/MCM
00
XaH X aH, (4) 76.3 319.2 (4) VLPP (4) 1991STE/BRO
DfH0(9,10-dihydroanthracen-9- (5) 83.0 347.3 (5) Re-anal. (5) 1997RUC/GER
yl)Z62.4 (261.1)
H Ph (5) 84.5 353.5
(6) 79 330.5 (6) AOP (6) 1991BOR/CHE
Me Me (5) 81.5 341.0
(7) 77 322.2 (7) PAC (7) 1989GRI/SIM
substituted
H H
pyrolysis data
Ph Ph
(continued)
BDEs (boldfaceZ
recommended data;
substituted
Me Me
H H

Me Me
pyrolysis data
9-Methylene-6,10,-
dihydroanthracene
H H
Xanthene, substituted
X H
(1) 74 309.6 (1) VLPP (1) 1991STE/BRO

O (2) 75.5 315.9 (2) AOP (2) 1991BOR/CHE
XaH (3) 75.2 314.6 (3) AOP (3) 1997ARN/FLO
(4) 80.7 337.6 (4) Re-anal. (4) 1997RUC/GER
Me (4) 77.6 324.7
CN (5) 69 288.7 (5) AOP (5) 1992ZHA/BOR
SO2Ph (6) 82 343.1 (6) AOP (6) 1988BOR/CHE
Ph (5) 76 318.0
(3) 74.6 312.1
(7) 76.7 320.9 (7) AOP (7) 1993ARN/FLO
p-MeC6H4 (5) 75.6 316.3
p-MeOC6H4 (5) 74.3 310.9
(7) 76.2 318.8
p-FC6H4 (5) 76.8 321.3
(7) 76.4 319.7
p-ClC6H4 (5) 73.9 309.2
(7) 78.1 326.8
p-CF3C6H4 (5) 78.3 327.6
(7) 78.1 326.8
9,10-Dihydroacridine,
substituted
H H
X
XZNH 80.0 334.7 Re-anal. of 1997RUC/GER
NCH3 80.0 334.7 pyrolysis data
Thioxanthene
H H
74.6 312.1 AOP 1997ARN/FLO

S
10-Hydroanthracen-9-one
H H

pyrolysis data
O
Fluorenes, substituted
H H
(1) 80.1 335.1 (1) VLPP (1) 1991STE/BRO
9 1
8 (2) 82.2 343.9 (2) Electrochem. (2) 1992PAR
7 2
6 Y
5 4 3 (3) 81.2G2.4 339.7G10.0 (3) ICR (3) 1997ROM/JAN
YaH (4) 82.0G2 343.1G8.4 (4) Re-anal. (4) 1994RAK/VER
DfH0(9-fluorenyl)Z71.7G2 (5) 82.6 345.6 (5) Re-anal. (5) 1997RUC/GER
(300.0G8.4)
2-PhSO2 (6) 80 334.7 (6) AOP (6) 1992ZHA/BOR
2-CN (6) 80 334.7
2-NO2 (6) 81 338.9
2-MeO (7) 80 334.7 (7) AOP (7) 1994ZHA/BOR(b)
2-Me2N (6) 80 334.7
2-PhSO2 (8) 79.7 333.5 (8) AOP (8) 1993ZHA/BOR
2,7-Br2-9-CO2Me (6) 76.5 320.1
(continued)
BDEs (boldfaceZ
recommended data;
X H
XZ9-CN (1) 74.8 313.0 AOP (1) 1991BOR/ZHA

9-SO2Ph (1) 81.9 342.7
9-PhS (1) 74.6 312.1
9-Me2N (1) 71.5 299.2
9-(2,4,6-Me3C6H2) (2) 74.5 311.7 (2) 1991BOR/ZHA
9-PhCH2(Me)N (3) 72.5 303.3 (3) 1992ZHA/BOR
9-(iso-Pr)2N (3) 73 305.4
Me
9 Me (3) 76 318.0
Me
9 N (3) 68 284.5
9 (3) 72 301.2
N
(3) 72 301.2
9 N
9 N
(3) 71 297.1
9-Ph (6) 74 309.6

9-C6F5 (4) 78.2 327.2 (4) 1993ZHA/BOR
9-mesityl (6) 74.5 311.7 (5) 1994ZHA/BOR(b)
9-MeOCO (6) 76 318.0 (6) 1994ZHA/BOR(c)
9-cyclo-C4H8N (6) 68 284.5
9-cyclo-C5H10N (6) 72 301.2

9-PhCH(Me)N (6) 72.5 303.3
(6) 72 301.2
9-CH(Me)(CH2)2C(Me)N
(6) 71 297.1
9-C(Me)2(CH2)2C(Me)2N
9-Me (7) 75.4 315.5 (7) 1994BOR/ZHA

DfH0(R)Z64.1G2 (268.2G8.4) (9) 79.7G2 333.5 (9) 1998BRO/BEC
(10) 78.5 328.5 (10) 2002KRO/TUM
9-Et (7) 76.2 318.8
9-n-Pr (7) 76.1 318.4
9-iso-Pr (7) 77.3 323.4
9-sec-Bu (7) 75.1 314.2
9-tert-Bu (7) 79.9 334.3
9-neo-C5H11 (7) 73.6 307.9
9-CPh3 (8) 77.2 323.0 (8) 1995ZHA/ZHA
9-PhC(Me)2CH2 (7) 73.8 308.8
9-PhCH2 (7) 75.9 317.6
9-MeS (7) 74.6 312.1
9-EtS (7) 74.3 310.9
9-iPrS (7) 74.3 310.9
9-tert-BuS (7) 74.8 313.0
9-PhS (7) 74.8 313.0
9-MeSO2 (7) 82.1 343.5
9-EtSO2 (7) 81.4 340.6
9-iso-PrSO2 (7) 81.1 339.3
9-PhSO2 (7) 79.7 333.5
9-(p-BrPh)SO2 (7) 82.0 343.1
9-MeO (7) 73.0 305.4
9-EtO (7) 72.9 305.0
9-iso-PrO (7) 72.7 304.2
9-tert-BuO (7) 74.0 309.6
9-PhO (7) 74.3 310.9
9-Me3SiCH2 (11) 76.3 319.2 (11) 1996ZHA/BOR
9-SiMe3 (8) 82.5 345.2
9-SiEt3 (8) 81.2 339.7
9-SiPh3 (8) 80.6 337.2
9-Me3NC, ClK (5) 84.6 354.0
9-PyNC, BrK (4) 80.9 338.5
C K
9-Ph3P , Br (5) 81.6 341.4
9-nBu3PC, BrK (12) 83.0 347.3 (12) 2000CHE/LIU
(continued)
BDEs (boldfaceZ
recommended data;
9-Ph3AsC, BrK (12) 82.6 345.6

C K
9-Me2S , Br (12) 77.6 324.7
9-Me2SeC, BrK (12) 78.7 329.3
C K
9-tBu2Te , Br (12) 77.3 323.4
9-Me3NC(2-PhSO2), BrK (4) 85.7 358.6
H H
YZp-Cr(CO)3 80 334.7 AOP 1994ZHA/BOR(b)

C
p- Mn(CO)3 81 338.9
p-C-Fe(C5H5) 80 334.7
1,2,3,4,4a,9a-Hexahydro-
fluorene
H H
Acenaphthene
H
H
84.0 351.3 Correlation 2005DEN/TUM
3,4,5-Trihydroacenaphthene
H
H
78.8 329.7 Correlation 1994STUM/DEN

Tetrahydroacenaphthene
H
H
Methylacenaphthene
CH2
H
4-Methylacenaphthene
H
CH2 84.3 352.7 Correlation 2005DEN/TUM
Acenaphthylene
H H
117G4 489.5G16.7 GPA 2002KAS/BRO
Acenaphthylene radical
H
84G2 351.5G8 Derived 2001BRO/KAS
9-Anthracenylmethanes,
substituted (1) 81.0 338.9 (1) Analysis of exp. (1) 1980MCM/TRE
H X (2) 81.8 342.3 (2) Review (2) 1982MCM/GOL
CH
(3) 81.5 341.0 (3) AOP (3) 1991BOR/CHE
(4) 84.1G0.5 351.9G2.1 (4) Electrochem. (4) 1991PAR/HAN
(5) 81.5 341.0 (5) AOP (5) 2002ALN/ZHA
Y
YaH, XaH
DfH0(9-anthracenylmethyl)
Z80.7 (337.6)
CN (6) 78.7 329.3 (6) AOP (6) 1991BAU/FAS(b)
(7) 78.9 330.1 (7) AOP (7) 1993ZHA/BOR(b)
MeO (6) 77.4 323.8
(7) 77.5 324.3
(continued)
BDEs (boldfaceZ
recommended data;
PhO (6) 78.6 328.9

(7) 79.9 334.3
PhCO (7) 84.2 352.3
NO2 (7) 86.1 360.2
PhS (7) 81.0 338.9
PhSO2 (7) 84.7 354.4
YZCN, XZMeO (6) 73.7 308.4
PhO (6) 72.9 305.0
Anthracenes, substituted
H CH2
8 9 1
10
Y
YZCl (1) 80.8 338.1 (1) AOP (1) 1993ZHA/BOR(b)
Me (1) 81.8 342.3
MeO (1) 81.4 340.6
Ph (1) 81.8 342.3
CHO (1) 80.4 336.4
PhCO (1) 82.3 344.3
CN (1) 80 334.7
NO2 (1) 82.6 345.6
PhS (1) 80.8 338.1
Anthracenes, substituted
CN
X C H
XaH 78.7 329.3 AOP 1991BAU/FAS(b)

MeO 78.0 326.4
9-Phenanthrenylmethane
CH2
1 10 H
9
DfH0(9-phenanthrenylmethyl) 85.1G1.5 356.1G6.5 VLPP 1982MCM/GOL

Z74.4 (311.3)
9,10-Dihydrophenanthrene
H (1) 89.6 374.9 (1) Re-anal. (1) 1997RUC/GER

H (2) 82.1 343.7 (2) Correlation (2) 2000DEN/DEN
10 9
Phenalene
H
H (1) 64G3 267.8G12.6 (1) AOP (1) 1990BAU/GOS
(2) 74.0 309.6 (2) Re-anal. (2) 1997RUC/GER
Benzanthrene
H
(1) 66G3 276.1G12.6 (1) AOP (1) 1990BAU/GOS
H
(2) 76.0 318.0 (2) Re-anal. (2) 1997RUC/GER
Triphenylene radical cation
H
86.0G4.8 359.9G20 PIMS 1997LIN/LIF
1,2-Benzofluorence
H H
9
8 1
78.7 329.3 AOP 1991BOR/CHE
(continued)
BDEs (boldfaceZ
recommended data;
2,3-Benzofluorence
H H
(1) 78.8 329.7 (1) VLPP (1) 1991STE/BRO
9
8 1
(2) 78.4 328.0 (2) AOP (2) 1991BOR/CHE
(3) 78 326.3 (3) AOP (3) 2002ALN/ZHA
Methylbenzo(b)phenanthrene
H CH2
6-Methylchrysene
CH2 H
1,2-Dihydropyrene
H H
H
1 2 H
81.6 341.4 Correlation 2000DEN/DEN
1,2,3,6-Tetrahydropyrene
H
H 81.6 341.4 Correlation 2002KRO/TUM
(E)-9,10-Diphenyl-9,10-
dihydroanthracene

H pyrolysis data
(Z)-9,10-Diphenyl-9,10-
dihydroanthracene

H
pyrolysis data
Dodecahedrane
H
92G3 384.9G12.6 FT-MS 2000BRO/KAS
3.5 Halogenated hydrocarbons

Table 3.5 C–H BDEs in Halogenated Hydrocarbons
BDEs
Trifluoromethane (1) 106.7G1 446.4G4.2 (1) Photolysis (1) 1972BAS/WHI

H–CF3 (2) 106.2 444.2 (2) Spectroscopy (2) 1995APO/TUL
DfH0(R)ZK111.2G0.4 (3) 107.4 449.4 (3) Derived (3) 1997ASH/RUS
(K465.3G1.7)
(continued)
Table 3.5 (continued) C–H BDEs in Halogenated Hydrocarbons
BDEs
(4) 106.4G0.7 445.2G2.9 (4) Derived (4) 1998RUS/MIC

(5) 108.9 455.6 (5) SPST (5) 1999TSA
Difluoromethane (1) 97.4G1.3 407.5G5.4 (1) Kinetics (1) 1969PRI/PER

H–CHF2 (2) 101G2 422.6G8.4 (2) Elimination (2) 1971KER/TIM
DfH0(R)ZK57.1G1 (3) 103.2G1 431.8G4.2 (3) Iodination (3) 1983PIC/ROD
(K238.9G4.2) (4) 101G2 422.6G8.4 (4) Kinetics (4) 1983MAR/PAR
(5) 101.8G1.1 425.8G4.6 (5) Review (5) 2001LAZ/PRO
Fluoromethane (1) 101.3G1 423.8G4.2 (1) Iodination (1) 1983PIC/ROD

H–CH2F (2) 100G2 418.4G8.4 (2) Kinetics (2) 1983MAR/PAR
DfH0(R)ZK7.6G1
(K31.8G4.2)
Chlorodifluoromethane (1) 101.6G1 425.1G4.2 (1) Review (1) 1982MCM/GOL

H–CClF2 (2) 100.7G2 421.3G8.4 (2) Photobromin. (2) 1992MIY/TSC
DfH0(R)ZK66.7G2
(K279.1G8.4)
Dichlorofluoromethane (1) 98.9G1.2 413.8G5.0 (1) Bromination (1) 1987TSC/PAD

H–CCl2F (2) 98.2G2 410.9G8.4 (2) Photobromin. (2) 1992MIY/TSC
DfH0(R)ZK21.3G2 (3) 97.7 408.8 (3) Review (3) 1997POU/PAU
(K89.0G8.4)
Difluorobromomethane 99.3G3 415.5G12.6 Derived from 1991GUR/VEY

H–CBrF2 DfH0 in ref.
Chlorofluoromethane (1) 100.8G2.4 421.7G10.0 (1) Bromination (1) 1987TSC/PAD

H–CHClF (2) 99.4 415.9 (2) Review (2) 1997POU/PAU
DfH0(R)ZK14.5G2.4
(K60.7G10.0)
Trichloromethane (1) 95.8G1 400.8G4.2 (1) Bromination (1) 1973MEN/GOL

H–CCl3 (2) 95.2 398.3 (2) Review (2) 1983WEI/BEN
DfH0(R)Z17.0G0.6 (3) 94.9G2 397.1G8.4 (3) EI (3) 1988HOL/LOS
(71.1G2.5) (4) 93.8G0.6 392.5G2.5 (4) PIMS detect. (4) 1991HUD/JON
(5) 87.7, at 0 K 367.1 (5) Spectroscopy (5) 1994APO/TUL
Dichloromethane (1) 98.4G1.2 411.7G5.0 (1) Bromination (1) 1987TSC/PAD

H–CHCl2 (2) 97.2G2 406.7G8.4 (2) EI (2) 1988HOL/LOS
DfH0(R)Z20.8G0.4 (3) 96.2G0.6 402.5G2.7 (3) PIMS detect. (3) 1996SEE
(87.1G1.6) (4) 97.3G1.0 407.1G4.2 (4) Review (4) 1997POU/PAU
(5) 95.7G0.5 400.6G2.0 (5) TPEPICO (5) 2006LAG/BAE(b)
Chloromethane (1) 100.8G1 421.7G4.2 (1) Bromination (1) 1987TSC/PAD

H–CH2Cl (2) 99.4G2 415.9G8.4 (2) EI (2) 1988HOL/LOS
(117.2G2.9) (4) 100G2 418.4G8.4 (4) Review (4) 1997POU/PAU
(5) 99.9 418 (5) FT-ICR (5) 2000BOR/ING
Bromochlorofluoromethane 98.6G5 413G21 Derived from 1991GUR/VEY

H–CFClBr DfH0 in ref.
Bromochloromethane (1) 93.9 393 (1) FT-ICR (1) 2000BOR/ING

H–CHClBr (2) 97.0G0.6 406.0G2.4 (2) PIMS detect. (2) 2003SEE
DfH0(R)Z34.2G1.4
(143G6)
Bromodichloromethane 92.5G5 387G21 Derived from 1991GUR/VEY

H–CCl2Br DfH0 in ref.
Dibromochloromethane 88.7G5 371G21 Derived from 1991GUR/VEY

H–CClBr2 DfH0 in ref.
Tribromomethane (1) 96.0G1.6 401.7G6.7 (1) Bromination (1) 1971KIN/GOL

H–CBr3 (2) 95.4G2 399.2G8.4 (2) EI (2) 1988HOL/LOS
DfH0(R)Z51.3 (214.8)
(continued)
BDEs
Dibromomethane (1) 103.7G2 433.9G8.4 (1) TCT (1) 1958PRI/TRO

H–CHBr2 (2) 99.7G1.8 417.1G7.5 (2) Bromination (2) 1987TSC/PAD
(188.3G9.2) (4) 98.2 411 (4) Review (4) 2000BOR/ING
Bromomethane (1) 102.0G2 426.8G8.4 (1) TCT (1) 1958PRI/TRO

H–CH2Br (2) 101.6G1 425.1G4.2 (2) Bromination (2) 1987TSC/PAD
(171.1G2.7) (4) 102.1G0.6 427.2G2.4 (4) PIMS detect. (4) 2003SEE
Tetraiodomethane 101.1G7 423G29 Derived from 1991GUR/VEY

H–CI3 DfH0 in ref.
Diiodomethane 103G2 431.0G8.4 Review 1970ONE/BEN

H–CHI2
DfH0(R)Z79.8G2.2
(333.9G9.2)
Iodomethane (1) 103G2 431.0G8.4 (1) Review (1) 1970ONE/BEN

H–CH2I (2) 103.5G2 433.0G8.4 (2) EI (2) 1988HOL/LOS
DfH0(R)Z54.9G2 (229.7G8.4) (3) 103.2G0.7 431.6G2.8 (3) Kinetics (3) 2002SEE
D–CH2I (4) 105.6 441.8 (4) Review (4) 1974GUR/KAR
D–CD2I (5) 106.1G1.4 444G6 (5) Pyrolysis (5) 2005SKO/MIS
Pentafluoroethane (1) 103.1G1.5 431.4G6.3 (1) Kinetics (1) 1972BAS/WHI

CF3CF2–H (2) 102.7G0.5 429.7G2.1 (2) Photolysis (2) 1981EVA/WHI
DfH0(R)ZK213.4G1 (3) 106G2.3 443.8G9.6 (3) Combined (3) 2005YAN.HUA(b)
(K892.9G4.2)
1,1,2,2-Tetrafluoroethane (1) 103.0G4.5 431.0G18.8 Review (1) 1996ZAR/WES

CHF2CF2–H (2) 107.1G5.1 448.1G21.2 (2) 2005GIA
DfH0(R)ZK158.9G4.5
(K664.8G18.8)
1,2,2-Trifluoroethane 103.5G3.5 433.0G14.6 Review 1996ZAR/WES

CH2FCF2–H
DfH0(R)ZK107.5G3.5
(K449.8G14.6)
1,2,2-Trifluoroethane 102.0G3.5 426.8G14.6 Review 1996ZAR/WES

CHF2CFH–H
DfH0(R)ZK109G3.5
(K456.1G14.6)
1,1,1-Trifluoroethane 106.7G1.1 446.4G4.5 Kinetics 1974WU/ROD

CF3CH2–H
DfH0(R)ZK123.6G2
(K517.1G8.4)
1,1-Difluoroethane 99.5G1 416.3G4.2 Iodination 1977PIC/ROD

CH3CF2–H
DfH0(R)ZK72.3G2
(K302.5G8.4)
1,2-Difluoroethane 98.8G3 413.4G12.6 UV-FP 1983MAR/PAR

CH2FCHF–H
DfH0(R)ZK57.0G3
(K238.5G12.6)
1,1-Difluoroethane 103.5G3.5 433.0G14.6 Review 1996ZAR/WES

CHF2CH2–H
DfH0(R)ZK68.3G3.5
(K285.8G14.6)
Fluoroethane (1) 103.6G2 433.5G8.4 (1) Review (1) 1996ZAR/WES

CH2FCH2–H (2) 100.8G2 421.7G8.4 (2) Photobromin. (2) 1996MIY/OZA
DfH0(R)ZK14.2G2
(K59.4G8.4)
Fluoroethane (1) 97.3G2 407.1G8.4 (1) Bromination (1) 1987TSC/SAL(b)

CH3CHF–H (2) 98.2G2 410.9G8.4 (2) Photobromin. (2) 1996MIY/OZA
DfH0(R)ZK16.8G2 (3) 99.6 416.9 (3) Derived (3) 2004JAN/ROS
(K70.3G8.4)
(continued)
BDEs
1,1-Difluoro-1-chloro-ethane 104.9G1.8 439.0G7.5 Review 2005GIA

CF2ClCH2–H
1-Chloro-2,2,2-trifluoro-ethane 101.8G1.5 425.9G6.3 Review 1982MCM/GOL

CF3CHCl–H
1-Bromo-1-chloro-2,2,2- 96.6G1.5 404.2G6.3 Review 1982MCM/GOL

trifluoroethane
CF3CClBr–H
DfH0(R)ZK120.5G2
(K504.2G8.4)
2-Chloro-1,2,2-trifluoro-ethane 98.5G0.5 412.1G2.1 Pyrolysis 1998SKO/DYM

CClF2CHF–H
DfH0(R)ZK107.7G3
(K450.6G12.6)
Pentachloroethane (1) 95.8 400.8 (1) Photochlorin. (1) 1969FRA/HUY

CCl3CCl2–H (2) 95G2 397.5G8.4 (2) Shock tube (2) 1976LEW
DfH0(R)Z8.4G1.3
(35.1G5.4)
1,1,2,2-Tetrachloroethane 94G2 393.3G8.4 Shock tube 1976LEW

CHCl2CCl2–H
DfH0(R)Z5.6G2
(23.4G8.4)
1,1-Dichloroethane (1) 93.4G0.4 390.6G1.5 (1) PIMS detect. (1) 1996SEE

CH3CCl2–H (2) 95.1G1.2 397.9G5.0 (2) Kinetics (2) 1999MIY/TSC
DfH0(R)Z10.2G0.4
(42.7G1.7)
Chloroethane (1) 95.7 400.4 (1) Bromination (1) 1987TSC/SAL(b)

CH3CHCl–H (2) 98.2G2 410.9G8.4 (2) EI (2) 1988HOL/LOS
DfH0(R)Z18.3G0.4 (3) 96.5G1 403.8G4.2 (3) Photobromin. (3) 1990MIY/TSC
(76.6G1.5) (4) 97.2G0.4 406.6G1.5 (4) PIMS detect. (4) 1996SEE
Chloroethane (1) 101.7G2 425.5G8.4 (1) EI (1) 1988HOL/LOS

CH2ClCH2–H (2) 100.7G1 421.3G4.2 (2) Photobromin. (2) 1990MIY/TSC
(93.0G2.4)
1,1-Dibromoethane 94.9G1.2 397.1G5.0 Kinetics 1999MIY/TSC

CH3CBr2–H
DfH0(R)Z33.5G1.3
(140.2G5.4)
Bromoethane 99.2G2 415.1G8.4 EI 1988HOL/LOS

CH2BrCH2–H
DfH0(R)Z32.3 (135.1)
Bromoethane (1) 96.4 403.3 (1) Bromination (1) 1987TSC/SAL(b)

CH3CHBr–H (2) 94.2G2 394.1G8.6 (2) EI (2) 1988HOL/LOS
DfH0(R)Z30.3 (126.8) (3) 97.2G1 406.7G4.2 (3) Photobromin. (3) 1990MIY/TSC
Trifluoroethylene 111G2 464.4G8.4 Correlation 1981STE/ROW

CF2aCF–H
1,1-Difluoroethylene 110G2 460.2G8.4 Correlation 1981STE/ROW

CF2aCH–H
DfH0(R)ZK22.2G2
(K92.9G8.4)
(E)-1,2-Difluoroethylene 110G2 460.2G8.4 Correlation 1981STE/ROW

CHFaCF–H
DfH0(R)ZK12.1G2
(K50.6G8.4)
1,1-Difluoro-2-chloroethylene 109G2 456.1G8.4 Correlation 1981STE/ROW

CF2aCCl–H
(continued)
BDEs
(Z)-1,2-Chloro-2-fluoro- 108G2 451.9G8.4 Correlation 1981STE/ROW

ethylene
CFClaCCl–H
(E)-1,2-Dichloroethylene 107G2 447.7G8.4 Correlation 1981STE/ROW

CHClaCCl–H
DfH0(R)Z56.1G2 (234.7G8.4)
Chloroethylene (1) O103.6 O433.5 (1) PI MS (1) 1989RUS/SEN

CH2aCCl–H (2) 116.0G1.2 485.3G2.8 (2) UV-PI (2) 1995SHE/QI
1,1,1,2,2,3,3-Heptafluoro (1) 104G2 435.1G8.4 (1) Review (1) 1982MCM/GOL

propane (2) 103.3 432.2 (2) Bromination (2) 1983EVA/WEE
CF3CF2CF2–H
1,1,1,2,3,3,3- 103.6G0.6 433.3G2.5 Kinetics 1983EVA/WEE

Heptafluoropropane
CF3CFHCF3
1-Chloropropane 97.3G0.8 407.0G3.5 Derived 1998SEE

CH3CH2CHCl–H
DfH0(R)Z13.5G0.8 (56.6G3.3)

CH2ClCH2CH3
1-Fluoropropene 88.6G1.1 370.7G4.6 VLPP 1973ALF/GOL

CH2aCH-CHF–H
1-Chloropropene 88.6G1.1 370.7G4.6 VLPP 1973ALF/GOL

CH2aCH-CHCl–H
1-Bromopropene 89.4G1.1 374.0G4.6 VLPP 1973ALF/GOL

CH2aCH-CHBr–H
DfH0(R)Z48.1G1.1
(201.3G4.6)
Pentafluorobenzene 116.5 487.4 TCT 1974KRE/PRI

H–C6F5
DfH0(R)ZK130.9G2
(K547.7G8.4)
1,2,3,4-Tetrafluobenzene
F H
F H
115.0G2.6 481G11 FT-MS 2004PRA/FAT
F F
1,2,3,4-Tetrafluobenzyl
F H
76.7G3.1 481G13 FT-MS 2004PRA/FAT
F F
9-Pentafluorophenyl fluorine 78.2 327.2 AOP 1993BOR/ZHA(b)

9-C6F5FlH
Tri(2,3,5,6-tetrafluorophenyl) 82.3 344.3 AOP 1993BOR/ZHA(b)

phenyl methane
(p-HC6F4)3C–H
3.6 Organic compounds containing heteroatom(s)

3.6.1 C–H BDEs with a-OH, -OR, -C(O), -C(O)OH, -C(O)OR, -OC(O)R
and -OOR
3.6.1.1 C–H BDEs with a-OH
Table 3.6.1.1 C–H BDEs with a-OH
BDEs
Methanol (1) 95.9G1.5 401.2G6.3 (1) Iodination (1) 1973ONE/BEN

H–CH2OH (2) 96.0 401.7 (2) SPST (2) 1981TSA
DfH0(R)ZK4.06G0.2 (3) 96.2G0.2 402.5G0.8 (3) PIMS detect. (3) 1993RUS/BER
(K17.0G0.7) (4) 96.06G0.15 401.92G0.63 (4) Recommended (4) 1994BER/ELL
(5) 96.2G0.3 402.5G1.3 (5) RF detect. (5) 1996DOB/BER
Ethenol 95.6G1.2 400G5 PA 2001BOU/ROO

CH2aCHOH
Ethenol 111.6G2.6 467G11 Derived from 1996NIST

CH2aCHOH DfH0 in ref.
DfH0(R)Z28.9G2.6 (121G11)
Ethanol (1) 93G1.0 389.1G4.2 (1) Iodination (1) 1972ALF/GOL

CH3CH2OH (2) 94.6 395.8 (2) SPST (2) 1981TSA
DfH0(R)ZK13.3G0.8 (3) 94.8 396.6 (3) EI (3) 1991HOL/LOS
(K55.6G3.5) (4) 95.9G1 401.2G4.2 (4) Review (4) 1999ATK/BAU
(5) 95.7 400.3 (5) Derived (5) 2004JAN/ROS
Ethanol (1) 101.3 423.8 (1) MS (1) 1990TAK

CH3CH2OH (2) 98G2 410.0G8.4 (2) PIMS detect. (2) 1994RUS/BER
DfH0(R)ZK7.5G1.7 (3) 100.8G2 421.7G8 (3) Derived from (3) 1996NIST
(K31G7) DfH0 in ref.
Propanol (1) 93.7 392.0 (1) SPST (1) 1999TSA

CH3CH2CH2OH (2) 95.5 399.5 (2) Correlation (2) 2005DEN/TUM
DfH0(R)ZK19.4G1
(K81G8)
Propanol 94.3G2 394.6G8.4 AE 1992HOL

CH3CH2CH2OH
DfH0(R)ZK18.8G2
(K78.7G8.4)
Propanol 97.1G2 406.3G8.4 AE 1992HOL

CH3CH2CH2OH
DfH0(R)ZK16.0G2
(K66.9G8.4)
Propan-2-ol (1) 91G1 380.7G4.2 (1) Review (1) 1982MCM/GOL

(CH3)2CHOH (2) 89.3G1.7 373.6G7.1 (2) PAC (2) 1989KAM/GRI
DfH0(R)ZK23.0 (K96.4) (3) 91.7G2 383.7G8.4 (3) AE (3) 1992HOL
(4) 94.8 396.5 (4) Derived (4) 2004JAN/ROS
Propan-2-ol 94.3G2 394.6G8.4 AE 1992HOL

(CH3)2CHOH
DfH0(R)ZK23.0G1
(K96.2G4.2)
Allyl alcohol (1) 80.1 355.1 (1) Pyrolysis (1) 1973TRE

CH2aCHCH2OH (2) 81.6G1.8 341.4G7.5 (2) Iodination (2) 1973ALF/GOL
DfH0(R)Z0G2 (0G8.4) (3) 80.1 355.1 (3) PAC (3) 1992ARN/CAL
Butyl alcohol 94.9 397.2 Correlation 2005DEN/TUM

C3H7CH2OH
sec-Butyl alcohol 93.1 389.7 Correlation 2005DEN/TUM

C2H5CH(CH3)OH
2-Methylpropan-2-ol (1) 100G2 418.4G8.4 (1) Review (1) 1982MCM/GOL

(CH3)3COH (2) 99.1 414.6 (2) PAC (2) 1989KAM/GRI
DfH0(R)ZK26.8G2 (3) 99.8 417.4 (3) Correlation (3) 2005DEN/TUM
(K112.1G8.4)
2,2-Dimethylpropan-1-ol 94.5 395.2 Correlation 2005DEN/TUM

tert-C4H9CH2OH
(continued)
Table 3.6.1.1 (continued) C–H BDEs with a-OH
BDEs
Pentanol 93.5 391.4 Correlation 2005DEN/TUM

n-C5H11CH2OH
Nonanol 94.6 395.8 Correlation 2005DEN/TUM

n-C8H17CH2OH
Decanol 94.5 395.5 Correlation 2005DEN/TUM

n-C9H19CH2OH
2,3-Dimethylallyl alcohol 81.1 339.2 Correlation 2002DEN/DEN

CH2aC(CH3)CH(CH3)OH
Penta-1,4-dien-3-ol 69.0G1 288.7G4.2 PAC 1991CLA/CUL

(CH2aCH)2CHOH
Cyclo-pent-2-en-1-ol
H
OH
Cyclo-hexanol
OH
H
Benzyl alcohol (1) 87.6 366.4 Correlation (1) 2005DEN/TUM

C6H5CH2OH (2) 79G2 330.5G8.4 (2) 2005BRA/GAL
DfH0(R)Z7G2 (29.3G8.4)
1-Phenylethanol 85.1 356.0 Correlation 2002DEN/DEN

PhMeCHOH
Diphenylmethn-1-ol (1) 78 326 (1) PAC (1) 1983ROT/SIM

Ph2CHOH (2) 87G2 364G8 (2) Spectroscopy (2) 1990POS/HAR
DfH0(R)Z36.4G1.5 (3) 75.4G1.5 315.5G6.3 (3) PAC (3) 1992ARN/CAL
(152.3G6.3)
Ethane-1,1-diol w92 w385 Electrochemical 1991MER/LIN

CH3CH(OH)2
Ethane-1,2-diol (1) 89.6G2.2 374.9G9.2 (1) PAC (1) 1989KAM/GRI

(CH2OH)2 (2) 92.1 385.3 (2) AE (2) 1992HOL
DfH0(R)ZK52.6G2 (3) 95.6 400.0 (3) Correlation (3) 2000DEN/DEN
(K220.1G8.4)
1,4-Butanediol 96.6 404.2 Correlation 2005DEN/TUM

HOCH2(CH2)2CH2(OH)
Butane-1,3-diol 92.7 387.7 Correlation 2005DEN/TUM

HOCH2CH2CH(CH3)OH
Butane-2,3-diol 91.6 383.1 Correlation 2005DEN/TUM

HOCH(CH3)CH(CH3)OH
3.6.1.2 C–H BDEs with a-OR

Table 3.6.1.2 C–H BDEs with a-OR
BDEs (boldfaceZ
recommended data;
Dimethyl ether (1) 95.5 399.6 (1) PSD (1) 1967LOU/LAI

CH3OCH3 (2) 93G1 389.1 (2) Review (2) 1969GOL/BEN
DfH0(R)Z0G1 (0G4.2) (3) 96.1 402.1 (3) Review (3) 1999ATK/BAU
(5) 96.8 405.0 (5) Derived (5) 2004JAN/ROS
(continued)
Table 3.6.1.2 (continued) C–H BDEs with a-OR
BDEs (boldfaceZ
recommended data;
Difluoromethyl 106G1 443.5G4.2 Kinetics 1995HSU/DEM

trifluoromethyl ether
CHF2OCF3
Bis(difluoromethyl) ether 104G1 435.1G4.2 Kinetics 1995HSU/DEM

CHF2OCHF2
Methyl trifluoromethyl ether 102G1 426.8G4.2 Kinetics 1995HSU/DEM

CH3OCF3
Ethyl methyl ether 93.0 389.1 AE 1991HOL/LOS

CH3OCH2CH3
DfH0(R)ZK10.8G2
(K45.2G8.4)
Diethyl ether (1) 91.7G0.4 383.7G1.7 (1) VLPP (1) 1984KON/BEN

CH3CH2OCH2CH3 (2) 93 389.1 (2) PAC (2) 1986BUR/MAJ
DfH0(R)ZK19.4G1 (3) 95.5G0.6 399.5G2.4 (3) Correlation (3) 2000DEN/DEN
(K81.2G4.2)
Ethyl tert-butyl ether 96.9 405.4 Re-anal. 1998BRO/BEC

CH3CH2O-tert-C(CH3)3
Di-iso-propyl ether (1) 93.9 392.9 (1) Re-anal. (1) 1998BRO/BEC

(CH3)2CHOCH(CH3)2 (2) 93.4 390.8 (2) Correlation (2) 2005DEN/TUM
Dibutyl ether 93.7 392.2 Correlation 2005DEN/TUM

C3H7CH2OC4H9
Ditert-butyl ether 96.1 402.1 Correlation 2002TUM/KRO

(CH3)3COC(CH3)3
Cyclo-hexyl methyl ether 89.9 376.3 Correlation 2000DEN/DEN

cyclo-C6H11–OMe
Methyl phenyl ether 92.0 385.0 Correlation 2002TUM/KRO

CH3OPh
Ethyl phenyl ether, substituted 85.5 357.7 Correlation 2005DEN/TUM

p-n-Bu-C6H4OCH2CH3
Benzyl methyl ether, substituted

H
CH OCH3
Y
YaH 85.8 359.0 Correlation 2002TUM/KRO
3-Cl 86.3 360.9
4-Cl 85.9 359.5
4-Br 85.5 357.9
4-Me 85.4 353.3
4-Pr 84.4 353.2
4-MeO 84.7 354.5
Dibenzyl ether, substituted

H
CH2OCH
Y Y
4-MeO 83.7 350.0
Diphenylmethyl methyl ether, substituted

H
Y'
C OCH3
Y
YaH Y 0 aH 84.6 354.1 Correlation 2002TUM/KRO
3-Cl 3-Cl 84.2 352.4
4-Br 4-Br 83.7 350.1
4-Me 4-Me 82.8 346.6
4-tBu 4-tBu 83.1 347.6
(continued)
BDEs (boldfaceZ
recommended data;
4-MeO 4-MeO 81.9 342.8

4-MeC(O)O 4-MeC(O)O 84.5 353.5
Dialkyloxymethenes
(RO)2CH2
RaCH3 (1) 93.4 391.0 Correlation (1) 2005DEN/TUM
C2H5 (2) 93.2 390.1 (2) 2002TUM/KRO
n-C3H7 (2) 93.6 391.8
iso-C3H7 (1) 93.3 390.5
n-C4H9 (1) 93.0 389.1
iso-C4H9 (1) 93.1 389.5
sec-C4H9 (1) 93.6 391.5
CH2CH2CH(CH3)2 (1) 92.8 388.4
sec-C5H11 (1) 93.3 390.2
cyclo-C6H11 (1) 92.3 386.3
1,1-Di-alkyloxyethanes
(RO)2CHCH3
RaCH3 91.1 381.2 Correlation 2005TUM
C2H5 90.9 380.2
C3H7 90.7 379.6
iso-C3H7 91.0 380.7
n-C4H9 90.6 379.0
iso-C4H9 90.6 379.1
n-C5H11 90.4 378.3
iso-C5H11 90.4 378.3
cyclo-C6H11 90.9 380.2
1,1-Di-alkyloxy-isobutanes
(RO)2CHCH2CH2CH3
C2H5 90.4 378.3
iso-C3H7 90.7 379.6
1,1-Di-alkyloxy-isobutanes
(RO)2CHCH(CH3)2
RaCH3 (1) 91.2 381.4 Correlation (1) 2005DEN/TUM
C2H5 (1) 90.9 380.5
C3H7 (1) 90.7 379.5
iso-C3H7 (1) 91.2 381.4
n-C4H9 (1) 90.6 379.0
sec-C4H9 (1) 90.9 380.5
iso-C4H9 (2) 90.9 380.5 (2) 2005TUM
n-C5H11 (2) 90.4 378.3
iso-C5H11 (2) 90.7 379.6
1,1-Di-alkyloxy-toluene 90.0 376.5 Correlation 2005TUM

(C2H5O)2CHC6H5
Dimethoxyphenylmethane, substituted
H
OMe
C
Y OME
4-Cl 84.7 354.3
4-Br 84.7 354.3
4-tBu 84.4 353.1
4-MeO 84.4 353.2
4-MeC(O)O 84.9 355.2
Oxirane
O
H 100.5G1.5 420.5G6.5 Pyrolysis 1984BAL/KEE
H
0
DfH (R)Z35.8G1.5
(149.8G6.3)
2-Methyl-oxirane
H 89.9 376.0 Correlation 2002TUM/KRO

O
Me
(continued)
BDEs (boldfaceZ
recommended data;
Tetrahydrofuran (1) 92G1 384.9G4.2 (1) Kinetics (1) 1982MCM/GOL

(2) 92.1G1.6 385.3G6.7 (2) PAC (2) 1997LAA/MUL
O H
(3) 92 384.9 (3) PAC (3) 2000KRA/CIR
H
(4) 93.6G0.1 391.6G0.4 (4) Correlation (4) 2002TUM/KRO
DfH0(R)ZK4.3G1.5
(K18.0G6.3)
Tetrahydrofurans, substituted
O H 91.8 384.1 Correlation 2005DEN/TUM

CH3
Tetrahydrofurans, substituted
O H
OR
Ratert-Bu 91.2 381.4 Correlation 2005DEN/TUM

n-C5H11 90.5 378.5
cyclo-C6H11 89.5 374.3
n-C8H17 89.7 375.3
2,5-Dimethyl-tetrahydrofuran
H O H 92.6 387.5 Correlation 2002TUM/KRO

Me Me
2-Methyl furan
O 86.5G2 361.9G8.4 VLPP 1981STE

CH2
H
1,3-Dioxolanes, substituted
X H
O O
XaH 91.1 381.2 Correlation 2005DEN/TUM

Me 89.2 373.4
n-Pr 89.0 372.5

iso-Pr 89.2 373.1
n-Bu 89.0 372.2
iso-Bu 88.7 371.3
n-C5H11 89.3 373.6
n-C6H13 88.8 371.6
Ph 89.2 373.2
1,3-Dioxolanes, substituted
H
X O
H
Me O
XaMe 96.7 404.8 Correlation 2005DEN/TUM
Et 91.2 381.7
Tetrahydropyran
H
O 96.0 401.7 Correlation 2005DEN/TUM
H
2-Alkyl-2HK3,4,5,6-tetra-hydropyrans
H
O O R
RaC3H7 92.3 386.0 Correlation 2005TUM

iso-C3H7 92.0 385.0
tert-C4H9 92.3 386.0
C6H11 91.3 381.8
C8H17 90.9 380.5
CH(C3H7)(C4H9) 90.9 380.5
cyclo-C6H11 90.4 378.3
CH2CH2-cyclo-C6H11 91.7 383.7
CH2-cyclo-2-oxy-C4H7 90.1 377.1
1,3-Dioxanes, substituted
O
X
O H

Me 90.3 378.0
(continued)
BDEs (boldfaceZ
recommended data;
Et 91.2 381.7
n-Pr 90.3 377.7
n-Bu 90.1 377.0
n-C6H13 90.0 376.5
Ph 90.4 378.4
Me
O X
O H

Me 90.6 378.9
H
H
Me O X
Me O H

Me 90.9 380.3
n-Pr 90.7 379.4
iso-Pr 90.8 380.1
n-Bu 90.6 379.1
iso-Bu 90.5 378.5
n-C6H13 90.4 378.1

H
Me O H
Me
O Me
Et O H
Me
O H
Me 92.8 388.4 Correlation 2005DEN/TUM
O H
Me
Me
O Et
Me O H
Me
3,3-Diethyl-1,3-dioxane
O H
91.2 381.4 Correlation 2005TUM
H
O
C2H5 C2H5
1,4-Dioxane
O H (1) 96 401.7 (1) PAC (1) 2000KRA/CIR
H (2) 97.0 405.7 (2) Correlation (2) 2005DEN/TUM
O
DfH0(R)ZK31.5G3
(K131.8G12.6)
2,5-Dimethyl-1,4-dioxane
H O H
89.2 373.0 Correlation 2002TUM/KRO
Me Me
O
Dicyclohexyloxymethane
O O
X
H

Me 90.9 380.2
(continued)
BDEs (boldfaceZ
recommended data;
Tetrahydropyrans, substituted
O
H
O O H

O OCH2CH2O O

n-Pr
O OCH
n-Bu
Tetraoxaspiro[5,5]undecane, substituted
O O X1
X2
O O H
X1aH, X2aH 93.4 390.8 Correlation 2005DEN/TUM

Me Me 89.7 375.5
1,3-Dioxepanes, substituted
O H
O X

Me 91.0 380.8
Et 90.6 379.2
n-Pr 90.4 378.1
iso-Pr 90.2 377.4

n-C6H13 90.4 378.1
1,3,6-Trioxocane
O H
O H
3.6.1.3 C–H BDEs with a-C(O)

Table 3.6.1.3 C–H BDEs with a-C(O)
BDEs (boldfaceZ
recommended data;
The broken bonds (boldfaceZ Methods
dissociated atom), DfH0(R), (reference in
kcal/mol (kJ/mol) kcal/mol kJ/mol parentheses) References
Formaldehyde (1) 88.8G0.5 371.5G2.1 (1) EI (1) 1985TRA

HC(O)–H (2) 88.0 368.2 (2) Photolysis (2) 1987CHU/FOL
DfH0(R)Z9.96G0.20 (3) 88.04G0.16 368.40G0.67 (3) Recommended (3) 1994BER/ELL
(41.67G0.84) (4) 88.15G0.01 368.80G0.03 (4) Photolysis (4) 1996TER/KAB
(5) 88.64G0.1 370.86G0.28 (5) Laser FP (5) 1997BEC/CAR
Formyl fluoride (1) 99.92G0.06 418.07G0.24 (1) UV Photolysis (1) 1997REE/KON

FC(O)–H (2) 101.1 423.0 (2) Derived from (2) 1998CHA
DfH0(R)ZK38.5 (K161.2) DfH0 in ref.
Ethanal or acetadehyde (1) 87.3G2.0 365.3G8.4 (1) EI (1) 1984HOL/LOS

CH3C(O)–H (2) 89.3G0.5 373.6G2.1 (2) PIMS detect. (2) 1992NII/GUT
DfH0(R)ZK2.5G0.4 (3) 89.4G0.3 374.0G1.3 (3) Recommended (3) 1994BER/ELL
(K10.3G1.8) (4) 88.7 371.1 (4) SPST (4) 1999TSA
(5) 89.7 375.4 (5) Derived (5) 2004JAN/ROS
2-Ethylbutanal 87.8 367.2 Correlation 2002TUM/KRO

Et2CHC(O)–H
Decanal 89.2 373.3 Correlation 2002TUM/KRO

CH3(CH2)8C(O)–H
(continued)
Table 3.6.1.3 (continued) C–H BDEs with a-C(O)
BDEs (boldfaceZ
recommended data;
Furfurol
O C(O) H
H
Benzaldehyde (1) 86.9G1.0 363.6G4.2 (1) Iodination (1) 1982MCM/GOL

C6H5C(O)–H (2) 88.7G2.6 371.1G10.9 (2) PAC (2) 1989SIM/GRI
DfH0(R)Z27.8G2.6 (3) 88.9 372.0 (3) Electrochemical (3) 1995LUN/DAA
(116.3G10.9) (4) 83.2 348.0 (4) Correlation (4) 2002TUM/KRO
(5) 91.6 383.1 (5) Derived (5) 2004JAN/ROS
Benzaldehyde, substituted
C
Y
H
Ya3-Cl 84.5 353.6 Correlation 2002TUM/KRO

4-Cl 84.2 352.3
3-Br 84.6 353.8
3-Me 82.9 347.0
4-Me 82.6 345.8
3-t-Bu 82.6 345.4
4-t-Bu 80.6 337.1
3-MeO 83.9 350.9
4-MeO 82.8 346.4
3-NO2 82.2 343.7
4-NO2 81.3 340.4
4-PhO 83.0 347.1
2-Pyenylethanal 86.5 362.0 Correlation 2002TUM/KRO

PhCH2C(O)–H
2-Methy-2-phenylpropanal 86.7 362.9 Correlation 2002TUM/KRO

PhC(CH3)2C(O)–H
Ketene (1) 105.9G2.1 443.1G8.8 (1) PES (1) 1983OAK/JON

H–CHaCaO (2) 105.3G2.1 440.6G8.8 (2) Recommend. (2) 1994BER/ELL
DfH0(R)Z42.4G2.2
(177.5G8.8)
2,3,4,5-Tetrahydroxypentanal 88.4 370.0 Correlation 2002TUM/KRO

CH2(OH)(CHOH)3C(O)H
2,3,4,5,6-Pentahydroxyhexanal 88.8 371.4 Correlation 2005DEN/TUM

CH2(OH)(CHOH)4C(O)H
Methylketene 90.9 380.3 Derived 2004JAN/ROS

CH3CHC(O)
Acetadehyde (1) 95.1 397.9 (1) GPA (1) 1977CUM/KEB

CH3C(O)H (2) 94.3G2.2 394.5G9.2 (2) Recommended (2) 1994BER/ELL
DfH0(R)Z2.5G2.2 (3) 94.2 394.3 (3) Correlation (3) 2002TUM/KRO
(10.5G9.2)
Acetyl fluoride 93.2G1.5 389.9G6.3 Derived from 1996NIST

CH3C(O)F DfH0(R) in ref.
Acetyl chloride %101.2 %423.4 IR CL 1998SRI/ARU

CH3C(O)Cl
Propanal 91.7 383.7 GPA 1977CUM/KEB

CH3CH2C(O)H
Acetone (1) 98.3G1.8 411.3G7.5 (1) Bromination (1) 1970KIN/GOL

CH3C(O)CH3 (2) 97.0 405.8 (2) GPA (2) 1977CUM/KEB
DfH0(R)ZK8.1G0.7 (3) 95.9G0.7 401.2G2.9 (3) Derived from (3) 2001BOU/CHA
(K33.9G3) DfH0(R) in ref.
(4) 94 393.3 (4) AOP (4) 2002ALN/ZHA
(5) 96.0G2.2 401.7G9.2 (5) GPA (5) 2003REE/HAR
(continued)
BDEs (boldfaceZ
recommended data;
1,1,1-Trifluoroacetone 96.2 402.5 GPA 1977CUM/KEB

CF3C(O)CH3
Ethyl methyl ketone 96.5 403.8 GPA 1977CUM/KEB

CH3C(O)CH2CH3
Ethyl methyl ketone (1) 92.3G1.7 386.2G7.1 (1) Iodination (1) 1970SOL/GOL
MeC(O)CH2Me (2) 93.2 389.9 (2) GPA (2) 1977CUM/KEB
DfH0(R)ZK16.8G1.7 (3) 93.8 392.6 (3) Correlation (3) 2002TUM/KRO
(K70.3G7.1) (4) 91.3 382.1 (4) Derived (4) 2004JAN/ROS
iso-Propyl methyl ketone 91.7 383.8 Correlation 2002TUM/KRO

MeC(O)CHMe2
Allyl methyl ketone 82.8 346.6 Correlation 2002DEN/DEN

MeC(O)CH2CHCH2
iso-Butyl methyl ketone 92.9 388.7 Correlation 2002TUM/KRO

MeC(O)CH2CH(CH3)2
Methyl tert-butyl ketone (1) 96.5 403.8 (1) GPA (1) 1977CUM/KEB
CH3C(O)-tert-Bu (2) 94 393.3 (2) AOP (2) 1990BOR/HAR
DfH0(R)ZK27.6G3 (3) 93.9 392.9 (3) AOP (3) 2002ALN/ZHA
(K115.5G12.6)
Diethyl ketone (1) 93.4 390.8 (1) GPA (1) 1977CUM/KEB

CH3CH2C(O)CH2CH3 (2) 88 368.2 (2) AOP (2) 1990BOR/HAR
(4) 88.4 369.9 (4) AOP (4) 2002ALN/ZHA
Dipropyl ketone 94.3G0.8 394.6G3.3 Correlation 2002TUM/KRO

C2H5CH2C(O)C3H7
Di-iso-propyl ketone (1) 85 355.6 (1) AOP (1) 1990BOR/HAR

Me2CHC(O)CHMe2 (2) 92.6 387.5 (2) Correlation (2) 2005DEN/TUM
DfH0(R)ZK41.5G5
(K173.6G21)
Dibutyl ketone 94.6G0.6 395.8G2.4 Correlation 2002TUM/KRO

C3H7CH2C(O)C4H9
Methyl phenyl ketone, (1) 96.8 405.0 (1) GPA (1) 1977CUM/KEB
substituted (2) 93 389.1 (2) AOP (2) 1990BOR/ZHA
O
(3) 93.3 390.4 (3) AOP (3) 2002ALN/ZHA
H CH2 C
Y
YaH, DfH0(R)Z20.2G3
(84.5G12.6)
p-NO2 (5) 89 372.4 (5) AOP (5) 1995ZHA/BOR
p-CN (6) 93.4 390.8 (6) AOP (6) 2002ALN/ZHA
p-MeO (6) 93.3 390.4
Methyl trimethylphenyl 93.8 392.5 AOP 2002ALN/ZHA

ketone
CH3C(O)(C6H2(Me)3)
Methyl naphthyl-1 ketone 94 393.3 AOP 2002ALN/ZHA

CH3C(O)(1-naphthyl)
Methyl anthracenyl-9 ketone 94 393.3 AOP 2002ALN/ZHA

CH3C(O)(9-anthracenyl)
Methyl phenyl ketone 93.2 390 AOP 1997CHE/LIU

bromide
PhC(O)CH2HCBrK
Benzyl methyl ketone (1) 82.3 344.3 AOP (1) 1992BOR/JI

MeC(O)CH2Ph (2) 82.6 345.6 (2) 2002ALN/ZHA
(continued)
BDEs (boldfaceZ
recommended data;
Ethyl phenyl ketone (1) 88 368.2 (1) AOP (1) 1990BOR/HAR

MeCH2C(O)Ph (2) 92.9 388.7 (2) Re-anal. (2) 1998BRO/BEC
DfH0(R)Z9.9G5 (3) 94.3 394.4 (3) Correlation (3) 2002TUM/KRO
(41.4G20.9)
Propyl phenyl ketone 94.2 394.3 Correlation 2002TUM/KRO

EtCH2C(O)Ph
iso-Propyl phenyl ketone (1) 86 359.8 (1) AOP (1) 1990BOR/HAR

(CH3)2CHC(O)Ph (2) 89.9 376.1 (2) Re-anal. (2) 1998BRO/BEC
(4) 92.1 385.3 (4) Correlation (4) 2002TUM/KRO
sec-Butyl phenyl ketone 92.1 385.2 Correlation 2002TUM/KRO

(CH3)2CHCH2C(O)Ph
tert-Butyl phenyl ketone 98.8 413.3 Correlation 2002TUM/KRO

(CH3)3CC(O)Ph
Nonanyl phenyl ketone 94.2 394.3 Correlation 2002TUM/KRO

CH3(CH2)7CH2C(O)Ph
Benzyl phenyl ketone (1) 82.5 345.2 AOP (1) 1990BOR/HAR

PhCH2C(O)Ph (2) 82.7 346.0 (2) 2002ALN/ZHA
Dibenzyl ketone (1) 83 347.3 (1) AOP (1) 1990BOR/HAR

PhCH2C(O)CH2Ph (2) 87.1 364.5 (2) Correlation (2) 2000DEN/DEN
DfH0(R)Z32.1G3
(134.3G12.6)
Propylphenyl phenyl ketone 88.5 370.3 AOP 1990BOR/HAR

PhCH2CH2C(O)Ph
Anthracenyl-2 phenyl ketone 81.6 341.4 AOP 2002ALN/ZHA

PhC(O)CH2Anth(2)
Anthracenyl-9 phenyl ketone 84.4 353.1 AOP 2002ALN/ZHA

PhC(O)CH2Anth(9)
Naphthyl-1 phenyl ketone 83 347.3 AOP 2002ALN/ZHA

PhC(O)CH2Naphth(1)
Naphthyl-2 phenyl ketone 82.7 346.0 AOP 2002ALN/ZHA

PhC(O)CH2Naphth(2)
Phenyl pyrenyl-1 ketone 80.7 337.6 AOP 2002ALN/ZHA

PhC(O)CH2Py(1)
Phenyl phenathrenyl-2 ketone 83.2 348.1 AOP 2002ALN/ZHA

PhC(O)CH2Phen(2)

PhC(O)CH2Phen(3)

PhC(O)CH2Phen(9)
Phenyl pyridyl ketone 85.7 358.6 AOP 2002ALN/ZHA

PhC(O)CH2Py
Chromium tricarbonyl 83.6 349.8 AOP 2002ALN/ZHA

complexes
PhC(O)CH2Ph(Cr(CO)3)
Diphenylmethyl methyl (1) 82 343.1 AOP (1) 1990BOR/HAR

ketone (2) 82.2 343.9 (2) 2002ALN/ZHA
Ph2CHC(O)CH3
(continued)
BDEs (boldfaceZ
recommended data;
Diphenylmethyl phenyl 83 347.3 AOP 1990BOR/HAR

ketone
Ph2CHC(O)Ph
2-Methoxy-1-phenylethan-1- 81 338.9 AOP 1990BOR/HAR

one
PhC(O)CH2OMe
2-Ethoxy-1-phenylethan-1-one 80.6 337.2 AOP 1994BOR/ZHA

PhC(O)CH2OEt
1-Phenyl-2-phenoxyethan-1- 80.6 337.2 AOP 1994BOR/ZHA

one
PhC(O)CH2OPh
Butane-2,3-dione 98.4 411.6 Correlation 2002TUM/KRO

CH3C(O)C(O)CH3
Pentane-2,4-dione (1) 91.6 383.3 (1) AOP (1) 1995BOR/ZHA

CH2(COMe)2 (2) 87.7 366.9 (2) Re-anal. (2) 1998BRO/BEC
1,3-Diphenylpropane-1,3- (1) 93 389.1 AOP (1) 1990BOR/HAR

dione (2) 92 384.9 (2) 1991BOR/HAR
CH2(COPh)2
1-Phenylbutane-1,3-dione 92 384.9 AOP 1990BOR/HAR

PhC(O)CH2COMe
3-Methylpentane-2,4-dione 84.7 354.4 Re-anal. 1998BRO/BEC

(Me)CH(COMe)2
b-Propiolactone
O
H 99.4G2.3 415.9G9.6 FT-ICR 2002KAR/JAN
CH2
CH2 H
Cyclo-pentanone, substituted
O
H X
H X'
XaH, X 0 aH (1) 88 368.2 (1) AOP (1) 1991BOR/GAL

DfH0(cyclopentanonyl)Z (2) 95.9 401.2 (2) Correlation (2) 2002TUM/KRO
K10G3 (K41.8G12.6) (3) 94.8G2.3 396.6G9.6 (3) FT-ICR (3) 2002KAR/JAN
Me Me (1) 89 372.4
Cyclo-hexanone
H
H
O
94.2 394.1 Correlation 2002TUM/KRO
2,2-Dimethyl-2HK3,5,6-
trihydropyran-4-one
O Me 93.1 389.6 Correlation 2002TUM/KRO

H2C Me
H2C H
CO
H
1,7,7-Trimethyl bicyclo(2.2.1)
heptane-2-one
CH3
H3C 95 397.5 AOP 1991BOR/JI
H
H
CH3 O
(continued)
BDEs (boldfaceZ
recommended data;
Indan-2-one
H
H
79.1 331.0 AOP 1994ZHA/BOR(e)
O
1-Acenaphthenone
H
O
H
82.3 344.3 AOP 2002ALN/ZHA
2-Aceanthrenone
H
O
H
82.5 345.2 AOP 2002ALN/ZHA
1-Aceanthrenone
H
O
H
80 334.7 AOP 2002ALN/ZHA
3.6.1.4 C–H BDEs with a-C(O)OH

Table 3.6.1.4 C–H BDEs with a-C(O)OH
BDEs
(boldfaceZdissociated atom) (reference in
Formic acid (1) 98 410.0 (1) Correlation (1) 1973MCK/DUN

H–C(O)OH (2) 93.2 389.9 (2) EI (2) 1991HOL/LOS
DfH0(R)ZK46.5G0.7 (3) O89.5 O374.5 (3) Review (3) 1994BER/ELL
(K194.6G2.9) (4) 96.6 404.2 (4) Review (4) 1994BER/ELL
(5) R96.1G0.7 R402.1G2.9 (5) PI, revised (5) 2000RUS/LIT
Acetic ion (1) 91.9G1.7 384.5G7.1 (1) PAC (1) 1989KAM/GRI

CH3C(O)OK (2) 96.1 402 (2) Derived (2) 1994YU/RAU
(3) 93.7G4 392.0G16.7 (3) CID (3) 1994WEN/SQU(b)
(4) w95 w397.5 (4) Review (4) 2002REE/KAS
Acetic acid (1) 96.1 402.1 (1) Correlation (1) 1984NON/WAL

CH3C(O)OH (2) 93.9G2 392.9G8.4 (2) AE (2) 1991HOL/LOS
DfH0(R)ZK60.2G2.9 (3) 95.3G2.9 398.7G12.1 (3) CID (3) 1994WEN/SQU(b)
(K251.9G12.0) (4) 95.9 401.3 (4) Correlation (4) 2000DEN/DEN
(5) 98.7G0.8 413.0G3.3 (5) Calorimetry (5) 2001LAG/DIO
Chloroacetic acid (1) 95.3 398.9 (1) Correlation (1) 2002TUM/KRO

ClCH2C(O)OH (2) 91.0G0.9 380.7G3.9 (2) Combination (2) 2002LAG/DIO
Carboxylic acid
CH3(CH2)nCH2C(O)OH
nZ0 95.3 398.8 Correlation 2002TUM/KRO
1 95.3 398.7
2 95.5 399.4
3 95.5 399.4
4 95.4 399.1
7 95.4 399.1
1-Methyl propanoic acid 92.8 388.3 Correlation 2005DEN/TUM

(CH3)2CHC(O)OH
(continued)
Table 3.6.1.4 (continued) C–H BDEs with a-C(O)OH
BDEs
2,2-Dimethl-propanioc acid 99.2 415.2 Correlation 2002TUM/KRO

(CH3)3CC(O)OH
Cyclo-butalcarboxylic acid (1) 93.2 390.0 Correlation (1) 2002TUM/KRO

(2) 95.4 399.0 (2) 2005DEN/TUM
H
C(O)OH
Cyclo-butalcarboxylic acid
H C(O)OH 86.0 359.8 Correlation 2005DEN/TUM
Cyclo-hexacarboxylic acid
H
C(O)OH 92.8 388.2 Correlation 2005DEN/TUM
Cyclo-hex-1-enecarboxylic acid
H
H 88.4 370.0 Correlation 2002TUM/KRO

C(O)OH
Cyclo-1-Ene-1,2-dicarrboxylic acid
H
C(O)OH C(O)OH
Benzenacetic acid 87.7 367.0 Correlation 2002TUM/KRO

PhCH2C(O)OH
Glycolic acid 95.1 397.8 Correlation 2002TUM/KRO

(OH)CH2C(O)OH
2-Hydroxyacetic acid 92.3 386.0 Correlation 2005DEN/TUM

CH3CH(OH)C(O)OH
2-Oxoacetic acid 89.7 375.3 Correlation 2002TUM/KRO

H–(O)CC(O)OH
Propanedioic acid 95.6 400.1 Correlation 2002TUM/KRO

CH2(C(O)OH)2
Butanedioic acid 95.1 397.8 Correlation 2002TUM/KRO

HO(O)CCH2CH2C(O)OH
Carboxylic acid, substituted

t-BuOC(O)(CH2)nCH2C(O)OH
nZ1 94.0 393.1 Correlation 2005DEN/TUM
2 93.5 391.0
3 93.6 391.5
4 93.5 391.3
7 93.5 391.3
2,3-Dihydroxybutanedioic acid 93.9 392.7 Correlation 2005DEN/TUM

(HOCHC(O)OH)2
Methyl formate (1) 92.7G1 387.9G4.2 (1) Kinetics (1) 1969SOL/BEN

H–C(O)OCH3 (2) 95.4G2 399.2G8.4 (2) EI (2) 1991HOL/LOS
DfH0(R)ZK38.6 (K161.5) (3) 95.1 398.0 (3) Derived (3) 2004JAN/ROS
3.6.1.5 C–H BDEs with a-C(O)OR, -OC(O)R and -OOR

Table 3.6.1.5 C–H BDEs with a-C(O)OR, -OC(O)R and -OOR
BDEs
Acetic acid methyl ester (1) 93.9 392.9 (1) EI (1) 1991HOL/LOS
CH3C(O)OCH3 (2) 97.1G2.5 406.3G10.5 (2) FT-ICR (2) 2002KAR/JAN
DfH0(R)ZK56.6G2 (3) 96.6 404.0 (3) Correlation (2) 2002TUM/KRO
(K236.8G8.4)
Acetic acid methyl ester 96.7 404.6 Correlation 2000DEN/DEN

CH3C(O)OCH3
Acetic acid ethyl ester (1) 96 401.7 (1) AOP (1) 1995BOR/ZHA
CH3C(O)OCH2CH3 (2) 95.5 399.5 (2) Correlation (2) 2000DEN/DEN
DfH0(R)ZK62.2G3
(K260.2G12.6)
Ethyl propanoate 95.6 400.0 Re-anal. 1998BRO/BEC

CH3CH2C(O)OC2H5
Methyl bytanoate 94.4 394.9 Correlation 2002TUM/KRO

CH3CH2CH2C(O)OCH3
Methyl pebtanoate 94.4 394.9 Correlation 2002TUM/KRO

CH3(CH3)2CH2C(O)OCH3
Ethyl butylanoate 93.7 392.1 Correlation 2005DEN/TUM

CH3(CH3)3C(O)OCH2CH3
Ethyl pentanoate 94.3 394.5 Correlation 2002TUM/KRO

CH3(CH3)4C(O)OCH2CH3
Propyl pebtanoate 93.7 392.1 Correlation 2002TUM/KRO

CH3(CH3)4C(O)OCH2CH2CH3
Acetic acid isopropyl ester 93.8 392.3 Correlation 2000DEN/DEN

CH3C(O)OCH(CH3)2
Ethyl 2-methylpropanoate 92.6 387.4 Re-anal. 1998BRO/BEC

(CH3)2CHC(O)OC2H5
iso-Propyl pebtanoate 92.7 387.9 Correlation 2002TUM/KRO

CH3(CH3)4C(O)OCH(CH3)2
tert-Butyl-2,2-dimethylpro- 99.2 415.0 Correlation 2002TUM/KRO

panoate
(CH3)3C(O)OC(CH3)3
Octyl pentanoate 93.7 391.9 Correlation 2002TUM/KRO

C4H9C(O)OCH2C7H15
Methyl benzoate 100.0 418.4 Correlation 2002TUM/KRO

PhC(O)OCH3
Acetic acid phenyl ester 100.2G1.3 419.2G5.4 Iodination 1973ALF/GOL

CH3C(O)OPh
DfH0(R)ZK16.7 (K69.9)
Ethyl 2-phenylacetate (1) 84.0 351.5 (1) AOP (1) 1994ZHA/BOR(e)

PhCH2C(O)OEt (2) 88.6 370.7 (2) Re-anal. (2) 1998BRO/BEC
Ethyl methyl butane-1,4-dioate (1) 92.9 388.7 (1) AOP (1) 1995BOR/ZHA
CH2(COMe)(C(O)OEt) (2) 94.8 396.5 (2) Correlation (2) 2005DEN/TUM
Acetic acid anhydride 97.0 406.0 Correlation 2000DEN/DEN

CH3C(O)OC(O)CH3
Oxalic acid dimethyl ester 96.5 403.8 Correlation 2000DEN/DEN

(CH3C(O)O)2
(continued)
Table 3.6.1.5 (continued) C–H BDEs with a-C(O)OR, -OC(O)R and -OOR
BDEs
Diethyl ethane-1,2-dioate 94.7 396.2 Correlation 2002TUM/KRO

(CH3CH2OC(O))2
Malonic acid dimethyl ester (1) 90.5 378.7 (1) AOP (1) 1991BAU/FAS(c)
CH2(MeOC(O))2 (2) 93.6 391.7 (2) Correlation (2) 2002TUM/KRO
Ethyl 3-oxobutanoate 94.8 396.5 Correlation 2002TUM/KRO

CH2(C(O)Me)(C(O)OEt)
Ethyl methyl propane-1,3-dioate 92.3 386.2 AOP 1996ZHA/BOR

CH2(C(O)OEt)(C(O)OMe)
Dimethyl bytane-1,4-dioate 96.7 404.8 Correlation 2002TUM/KRO

(CH2C(O)OCH3)2
Oxilic axcid diethyl ester (1) 95 397.5 (1) AOP (1) 1993ZHA/BOR
CH2(C(O)OC2H5)2 (2) 94.8 396.5 (2) Correlation (2) 2000DEN/DEN
Dimethyl pentane-1,5-dioate 94.0 393.1 Correlation 2002TUM/KRO

CH2(CH2C(O)OCH3)2
Dimethyl heptane-1,7-dioate 94.0 393.2 Correlation 2002TUM/KRO

CH2(CH2CH2C(O)OCH3)2
Dimethyl nonane-1,9-dioate 93.8 392.6 Correlation 2002TUM/KRO

CH2(CH2CH2CH2C(O)OCH3)2
Dimethyl 2-methyl (1) 90.5 378.7 AOP (1) 1994ZHA/BOR(e)

propane-1,3-dioate (2) 90.8 379.9 (2) 1996ZHA/BOR
MeCH(C(O)OMe)2
Ethyl methyl 2-ethyl 89.6 374.9 AOP 1996ZHA/BOR

propane-1,3-dioate
EtCH(C(O)OEt)(C(O)OMe)
Diethyl 2-ethyl 91.5 382.8 AOP 1996ZHA/BOR

propane-1,3-dioate
EtCH(C(O)OEt)2
Dimethylethyl 94.7 396.2 Correlation 2002TUM/KRO

ethane-1,2-dioate
(Me2CHOC(O))2

butane 1,4-dioate
(Me2CHOC(O)CH2)2

pentane 1,5-dioate
CH2(Me2CHOC(O)CH2)2
Dimethylethyl heptane 93.5 391.2 Correlation 2002TUM/KRO

1,7-dioate
CH2(Me2CHOC(O)CH2CH2)2
Dimethylethyl decane 93.5 391.1 Correlation 2002TUM/KRO

1,10-dioate
(Me2CHOC(O)(CH2)4)2
Diethoxy 2- 85.3 356.9 AOP 1993ZHA/BOR

phenylpropane-1,3-dione
PhCH(C(O)OEt)2
Ethyl 2-phenylpropanoate 85.6 358.2 Re-anal. 1998BRO/BEC

PhCHMe(C(O)OEt)
(continued)
Table 3.6.1.5 (continued) C–H BDEs with a-C(O)OR, -OC(O)R and -OOR
BDEs
Diethyl 2-(1,1-dimethyl-1silaethyl) 87.3 365.3 AOP 1996ZHA/BOR

propane-1,3-dioate
Me3SiCH2CH(CO2Et)2
Ethyl methyl 2-(1,1-dimethyl- 85.2 365.5 AOP 1996ZHA/BOR

1silaethyl) propane-1,3-dioate
Me3SiCH(CO2Et)(CO2Me)
Methyl hydroperoxide 98.4 411.7 Derived 2004JAN/ROS

CH3OOH
DfH0(R)Z15.8 (66.1)
Ethyl hydroperoxide 97.1 406.1 Derived 2004JAN/ROS

CH3CH2COOH
DfH0(R)Z6.4 (26.9)
d-Valerolactone
H2
H2 C C CH
2
H C CO 89.2G2.3 373.2G9.6 FT-ICR 2002KAR/JAN
O
H
3-Caprolactone
H2C CH2
CH2 CH2
H CO 92.8G2.4 388.3G10.0 FT-ICR 2002KAR/JAN
O
H
2,2-Dimethyl-1,3-dioxane-4,6-dione
O
Me O X
O H
Me
O
XaH 92.6 387.4 AOP 1994ZHA/BOR(e)
Me 87.5 366.1
3-Hydrobenzo(b)furan-2-one
H
H AOP
80.1 335.1 1994ZHA/BOR(e)
O
O
iso-Chroman-3-one
H H
O
83.4 348.9 AOP 1994ZHA/BOR(e)
O
3-(2-Naphthyl)-3HK4,5,6,-
trihydropyran-2-one
O
H
81.8 342.3 AOP 1994ZHA/BOR(e)
O
Ethyl fluorene-9-carboxylate
H CO2E t
9 1 76.1 318.4 AOP 1993BOR/ZHA(b)

8
7 2
6 5 4 3
Ethyl octafluoro-fluorene-9-
carboxylate
H CO2E t
9 80.7 337.6 AOP 1993BOR/ZHA(b)

8 1
F F
3.6.2 C–H BDEs with a-N, -CN, -NC, -NO, -NO2, -NN
and in heterocyclic species
3.6.2.1 C–H BDEs with a-N
Table 3.6.2.1 C–H BDEs with a-N
BDEs
Methylamine (1) 93G2.5 389.1G10.5 (1) VLPP (1) 1975KIN/GOD

CH3NH2 (2) 96.6 404.2 (2) SPST (2) 1981TSA
DfH0(R)Z36.3G2 (151.9G8.4) (3) 93.9G2 392.9G8.4 (3) EI (3) 1983BUR/CAS
(4) 88.7 371.1 (4) VLPP (4) 1984GRE/COL
(5) 93.6 391.6 (5) Derived (5) 2003MIR/KON
CH3ND2 (6) 92–94 385–393 (6) IR CL (6) 1987WAT/SET
2-Azaprop-1-ene 97.5G3.5 407.9G14.6 VLPP 1993LAZ/PAP

CH3NaCH2
Ethylamine (1) 94.0 393.3 (1) SPST (1) 1981TSA

CH3CH2NH2 (2) 90.1G2 377.0G8.4 (2) EI (2) 1983BUR/CAS
DfH0(R)Z26.7G2 (3) 97.1 406.3 (3) Re-anal. (3) 1998BRO/BEC
(111.7G8.4) (4) 93.1 389.6 (4) Correlation (4) 2005DEN/TUM
Propylamine (1) 91G2 380.7G8.4 PAC 2002LAL/ALL

C2H5CH2NH2 (2) 93.1G2 389.5G8.4
Butylamine 94G2 393.3G8.4 PAC 2002LAL/ALL

nC3H7CH2NH2
iso-Propylamine (1) 95.2 398.3 (1) SPST (1) 1981TSA

(CH3)2CHNH2 (2) 88.9G2 372.0G8.4 (2) EI (2) 1983BUR/CAS
DfH0(R)Z16.7G2 (69.9G8.4) (3) 94.2 394.1 (3) Re-anal. (3) 1998BRO/BEC
Pentylamine (1) 90.5G2 387.7G8.4 PAC 2002LAL/ALL

nC4H9CH2NH2 (2) 95.5G2 399.6G8.4
Dimethylamine (1) 87G2 364.0G8.4 (1) EI (1) 1981GIR/LOS

(CH3)2NH (2) 94.2 394.1 (2) Derived from (2) 1996NIST
DfH0(R)Z37.4 (156.6) DH0 in ref.
Diethylamine (1) 87G2 364.0G8.4 (1) PAC (1) 2002LAL/ALL

(CH3CH2)2NH (1) 88.6G2 370.7G8.4
Dibutylamine (1) 90.8G2 379.9G8.4 PAC 2002LAL/ALL

(n-C3H7CH2)2NH (2) 88.9G2 372.0G8.4
Di-iso-propylamine 89.6 375.0 Correlation 2005DEN/TUM

((CH3)2CH)2NH
Dipentylamine 91.9G2 384.5G8.4 PAC 2002LAL/ALL

(n-C4H9CH2)2NH
Trimethylamine (1) 87.0G1.0 364.0G4.2 (1) VLPP (1) 1984GRE/COL

(CH3)3N (2) 93.2 389.8 (2) Derived from (2) 1996NIST
DfH0(R)Z33.2G2 (138.9G8.4) DfH0 in ref.
(3) 88.9G2.4 372G10.0 (3) PAC (3) 1997WAY/CLA
(4) 91G2 380.7G8.4 (4) PAC, revised (4) 1999LAA/MUL
Triethylamine (1) 85.0 355.6 (1) SPST (1) 1981TSA

(CH3CH2)2N (2) 91.1G2.4 381G10 (2) PAC (2) 1997WAY/CLA
DfH0(R)Z16.4G0.5 (68.6G2.1) (3) 90.7G0.4 379.5G1.7 (3) PAC (3) 1999DOM/DIN
(4) 89 372.4 (4) PAC (4) 2000KRA/CIR
(5) 91.2G2 381.6G8.4 (5) PAC (5) 2002LAL/ALL
Tripropylamine (1) 89G2 372.4G8.4 (1) PAC (1) 2002LAL/ALL

(C2H5CH2)3N (1) 90G2 376.6G8.4
Tri-iso-propylamine (1) 92.5G2 387.0G8.4 (1) PAC (1) 2002LAL/ALL

((CH3)2CH)3N (2) 88.4 370.0 (2) Correlation (2) 2002DEN/DEN
(continued)
Table 3.6.2.1 (continued) C–H BDEs with a-N
BDEs
Tributylamine (1) 91.1G2.4 381G10.0 PAC (1) 1997WAY/CLA

(C3H7CH2)3N (2) 89.5G2 374.5G8.4 (2) 2002LAL/ALL
tert-Butyldimethylamine 90.0G2 376.6G8.4 PAC 1999DOM/DIN

tert-BuN(CH3)2
Triallylamine (1) 82.6G0.8 345.6G3.3 (1) PAC (1) 1999DOM/DIN

N(CH2CHaCH2)3 (2) 82.6 345.6 (2) Correlation (2) 2002DEN/DEN
Dimethylpenylamine 91.7 383.7 Correlation 2005DEN/TUM

PhN(CH3)2
Phynelmethylamine 88.0 368.0 Correlation 2000DEN/KHU

PhCH2NH2
Dimethylbenzylamine 88.6 370.8 Correlation 2005DEN/TUM

PhCH2N(CH3)2
Dimethylbenzylamine 91.6 383.2 Correlation 2005DEN/TUM

PhN(CH3)(CH2CH3)
Phenyldiethylamine 91.6G1.0 383.3G4.2 PAC 1999DOM/DIN

PhN(CH2CH3)2
Diphenylmethylamine 90.7G0.4 379.5G1.7 PAC 1999DOM/DIN

Ph2NCH3
Phenyldibenzylamine 85.4G2.1 357.3G8.8 PAC 1999DOM/DIN

PhN(CH2Ph)2
Tribenzylamine 89.1G0.6 372.8G2.5 PAC 1999DOM/DIN

N(CH2Ph)3
Phenyldiallylamine 81.1G0.7 339.3G2.9 PAC 1999DOM/DIN

PhN(CH2CHaCH2)2
Ethane-1,2-diamine 89.5 374.3 Derived 2003MIR/KON

H2NCH2CH2NH2
N,N-Dimethylaniline, substituted
CH2 H
N(CH3)
Y
YaH (1) 91.7G1.3 383.7G5.4 (1) PAC (1) 1999DOM/DIN

DfH0(R, for YaH)Z63.6G3 (2) 85.7 358.4 (2) Correlation (2) 2000DEN/KHU
(266.1G12.6)
4-Cl (1) 89.8G1.4 375.7G5.9
4-Me (1) 89.9G2.5 376.1G10.5
4-CF3 (1) 92.2G1.7 385.8G7.1
2-tBu (1) 94.7G1.3 396.2G5.4
2,2-Me2 (1) 90.2G1.5 377.4G6.5
Benzyl trimethylammonium 90.5 378.7 AOP 1993ZHA/BOR

chloride
PhCHC
2 NMe3Cl
K
Fluorenyl trimethylammonium 84.9 355.2 AOP 1997LIU/HUA

bromide
FLHCNMe3BrK
Benzyl trimethylammonium 90.8 380 AOP 1997CHE/LIU

bromide
PhCHC
2 NMe3Br
K
3.6.2.2 C–H BDEs with a-CN and -NC

Table 3.6.2.2 C–H BDEs with a-CN and -NC
BDEs
Methanenitrile (1) 126.1G0.4 527.6G1.7 (1) Recommended (1) 1994BER/ELL

H–CN (2) 126.3G0.2 528.5G0.8 (2) Photolysis (2) 2000COO/LAN
DfH0(R)Z105.5G1.1 (3) 125.0G0.1, 523.0G0.4 (3) TIPPS (3) 2006HU/ZHA
(441.4G4.6) at 0 K
Prop-2-enenitrile 105.1 439.8 Correlation 2004TUM/DEN

CH2CHCN
Prop-2-ynenitrile 112.6 471.3 Correlation 2004TUM/DEN

CHbCCbCN
Acetonitrile (1) 93G2.5 389.1G10.5 (1) Review (1) 1982MCM/GOL

CH3CN (2) 94.8G2.1 396.6G8.8 (2) PES (2) 1987MOR/ELL(b)
DfH0(R)Z60.4G1 (3) 96 401.7 (3) PAC (3) 1995WAY/LUS
(252.6G4.2) (4) 97.0G1 405.8G4.2 (4) Neg. ion cycle (4) 2000LAF/SZA
(5) 94.8G2.1 396.6G8.8 (5) GPA (5) 2003REE/HAR
Propanenitrile (1) 89.8G2.3 375.7G9.6 (1) VLPP (1) 1975KIN/GOD

CH3CH2CN (2) 94.0G3 393.3G12.6 (2) Derived from (2) 1986PED/NAY
DfH0(R)Z54.2G3 DfH0 in ref.
(226.7G12.6) (3) 90G2 376.6G8.4 (3) AP (3) 1993HOL/LOS
(4) 94.9 397.1 (4) Re-anal. (4) 1998BRO/BEC
2-Methylpropanenitrile (1) 86.5G2 361.9G8.4 (1) VLPP (1) 1976KIN/GOD

(CH3)2CHCN (2) 91.9 384.5 (2) Re-anal. (2) 1998BRO/BEC
DfH0(R)Z45.5G3 (3) 89.0 372.2 (3) Correlation (3) 2004TUM/DEN
(190.4G12.6)
2,2-Dimethylpropanenitrile 96.3 402.9 Correlation 2004TUM/DEN

(CH3)3CCN
Phenylacetonitrile 82.3 344.3 AOP 1993BOR/ZHA(b)

PhCH2CN
2-Phenyl-propanenitrile 80 334.7 AOP 1992BOR/ZHA

PhC(Me)CHCN
Diphenylacetonitrile (1) 77.5 324.3 AOP (1) 1988BOR/CHE(b)

Ph2CHCN (2) 76.8 321.3 (2) 1993BOR/ZHA(b)
2-Methyl-2- 97.7 408.7 Correlation 2004TUM/DEN

phenylpropanenitrile
C6H5C(CH3)2CN
Pentafluorophenyl acetonitrile 83.8 350.6 AOP 1993BOR/ZHA(b)

C6F5CH2CN
Di(pentafluorophenyl)- 81.7 341.8 AOP 1993BOR/ZHA(b)

acetonitrile
(C6F5)2CHCN
2-cyclo-Hexyl-2-phenyl- 81 338.9 AOP 1992BOR/ZHA

ethanenitrile
cyclo-C6H11CH(Ph)CN
2-Phenyl-2-(2-pyridyl)- 76 318.0 AOP 1992BOR/ZHA

ethanenitrile
cyclo-PyNCH(Ph)CN
Methae-1,1-dicarbonitrile (1) 90 376.6 (1) AOP (1) 1991BOR/CHE

CH2(CN)2 (2) 87.6 366.5 (2) Re-anal. (2) 1998BRO/BEC
1,1,2,2-Tetramethylethane-1,2- 96.7 404.4 Correlation 2004TUM/DEN

carbonitrile
(CH3)2(CN)CC(CN)(CH3)2
(continued)
Table 3.6.2.2 (continued) C–H BDEs with a-CN and -NC
BDEs
2-Aminoethanenitrile 84.9 355.2 Re-anal. 1998BRO/BEC

CH2(CN)(NH2)
Methylmethane-1,1- 84.6 354.0 Re-anal. 1998BRO/BEC

dicarbonitrile
MeCH(CN)2
Phenylmethane-1,1- 77 322.2 AOP 1992BOR/ZHA

dicarbonitrile
CNCH(Ph)CN
1-Acetonitrile trimethyl- 95.3 398.7 AOP 1990BOR/ZHA

ammonium chloride
MeC
3 NCH2CNCl
K
1-Acetonitrile pyridinium 87.6 366.5 AOP 1990BOR/ZHA

chloride
PyNCCH2CNClK
iso-Cyanomethane (1) 91.0G2.1 380.7G8.8 (1) PES (1) 1987MOR/ELL(b)

CH3NC (2) 93G3 389.1G12.6 (2) PES (2) 2002NIM/DAV
DfH0(R)Z80G4 (3) 96.7 404.7 (3) Derived (3) 2004JAN/ROS
(334.7G16.7)
3.6.2.3 C–H BDEs with a-NO, -NO2 and -NN

Table 3.6.2.3 C–H BDEs with a-NO, -NO2 and -NN
BDEs (boldfaceZ
recommended data;
Nitromethane (1) 97.4 407.5 (1) AOP (1) 1994BOR/SAT

CH3NO2 (2) 96.3 402.9 (2) Derived (2) 2000MIR/VOR
DfH0(R)Z27.5G3 (115.1G12.6) (3) 99.3 415.4 (3) Correlation (3) 2004TUM/DEN
Nitroethane (1) 91.4 382.4 (1) AOP (1) 1994BOR/SAT

CH3CH2NO2 (2) 98.1 410.5 (2) Derived (2) 2000MIR/VOR(b)
Nitropropane 98.1 410.5 Derived 2000MIR/VOR(b)

C2H5CH2NO2
Nitrobutane 97.3 407.1 Derived 2000MIR/VOR(b)

C3H7CH2NO2
2-Methyl-2-nitropropane 99.7 417.1 Correlation 2004TUM/DEN

(CH3)3CNO2
Nitropentane 96.2 402.5 Derived 2000MIR/VOR(b)

C4H9CH2NO2
2-Nitropropane (1) 86.8 363.2 (1) AOP (1) 1994BOR/SAT

(CH3)2CHNO2 (2) 94.7 396.2 (2) Derived (2) 2000MIR/VOR(b)
1,1-Dinitroethane 98.2 410.9 Derived 2000MIR/VOR(b)

(CH3)CH(NO2)2
1,1-Dinitropropane 97.8 409.2 Derived 2000MIR/VOR(b)

(C2H5)CH(NO2)2
(continued)
Table 3.6.2.3 (continued) C–H BDEs with a-NO, -NO2 and -NN
BDEs (boldfaceZ
recommended data;
1,1-Dinitrobutane 98.3 411.3 Derived 2000MIR/VOR(b)

(C3H7)CH(NO2)2
1,1-Dinitropentane 96.9 405.4 Derived 2000MIR/VOR(b)

(C4H9)CH(NO2)2
Nitro-cyclo-propane 88.4 369.9 AOP 1994BOR/SAT

cyclo-C3H5NO2
Nitro-cyclo-pentane 86.8 363.2 AOP 1994BOR/SAT

cyclo-C5H9NO2
Nitro-cyclo-hexane 88.6 370.7 AOP 1994BOR/SAT

cyclo-C6H11NO2
Methylnitroamine 82.2 344.0 Derived 2003MIR/KON

CH3NHNO2
Nitro[(nitroamino)methyl]amine 81.6 341.6 Derived 2003MIR/KON

CH2(NHNO2)2
Nitro[2-(nitroamino)ethyl]amine 81.6 341.6 Derived 2003MIR/KON

(CH2)2(NHNO2)2
Nitro[5-(nitroamino)pentyl]amine 78.4 328.2 Derived 2003MIR/KON

(CH2)6(NHNO2)2
1-Phenylnitroethanes, substituted
NO2
C H
Y
CH3
YaH 85.4 357.3 AOP 1995BOR/ZHA(c)

DfH0(R)Z40.4G3 (169.0G12.6)
4-F 86.1 360.2
4-Me 85.6 358.2
3-MeO 86.9 363.6
4-MeO 84.9 355.2
3-NO2 86.1 360.2
4-NO2 86.9 363.6
3,5-(NO2)2 88.7 371.1
Nitro(phenylmethoxy) methane 86.1 360.2 AOP 1994BOR/SAT

PhCH2OCH2NO2
Dinitromethane 89.7 375.5 Derived 2000MIR/VOR

CH2(NO2)2
Trinitromethane 86.3 361.0 Derived 2000MIR/VOR

CH(NO2)3
1-Aza-1-methyoxy-3-phenyl-2- 82.9 346.9 AOP 1992ZHA/BOR

benzylpro-1-ene
(PhCH2)2CaNOMe
Nitrozoamines
(NO2)3CCH2N(NO2)CH2CH2– 72.3 302.5 Derived 2001MIR/KOS
CH2N(NO2)CH2C(NO2)3
(NO2)2CHCH2N(NO2)CH2CH2– 77.6 324.7
CH2N(NO2)CH2CH(NO2)2
(NO2)3CCH2N(NO)CH2CH2– 72.3 302.5
CH2N(NO)CH2C(NO2)3
Diazomethyl radical 97G2 405.8G8.4 PES 1998CLI/WEN(b)

H–HCNN
(continued)
Table 3.6.2.3 (continued) C–H BDEs with a-NO, -NO2 and -NN
BDEs (boldfaceZ
recommended data;
Diazocarbene 79.1G4 331G17 PES 1998CLI/WEN(b)

H–CNN
Methylhydrazine 98 410 Pyrolysis 1964EBE

H2NNH(CH3)
1,1-Dimethylhydrazine 98 410 Pyrolysis 1964EBE

HNN(CH3)2
3.6.2.4 C–H BDEs in heterocyclic species

Table 3.6.2.4 C–H BDEs in Heterocyclic Species
BDEs (boldfaceZ
recommended data;
Pyrrolidine
H H
N (1) 90.1G2.4 377G10.0 PAC (1) 1997WAY/CLA
H (2) 87 364.0 (2) 2000KRA/CIR
DfH0(R)Z34.1G3 (142.7G12.6)
Pyrrole
NH (1) 118.4G1 495.4G4.2 (1) Shock tube (1) 1991MAC/COL

2
3 (2) 112.3G1 469.9G4.2 (2) PI (2) 1994BLA/NOR
C–H bond at 2 and 3 site

DfH0(Pyrrol-2-yl)Z92.2 (385.8)
DfH0(Pyrrol-3-yl)Z92.2 (385.8)
Imidazole
H NH H
119G4 497.9G17 Derived 2005GIA/ICH
N
H
Pyrazole
H
H
5
1N H
2 121G4 506G17 Derived 2006GIA/ICH
H N
Cyclo-hexalamines, substituted
NX1X2
H
X1aH X2aH 94.6 395.9 Correlation 2005DEN/TUM

H Me 92.7 388.0
Me Me 91.1 381.0
Piperidine
H (1) 89.5 374.5 (1) PAC (1) 1993CLA/WAY
NH (2) 92.0G2.4 385G10.0 (2) PAC (2) 1997WAY/CLA
H
0
DfH (R)Z28.6 (119.7)
Di-cyclo-hexylamine
NH 92.6 387.3 Correlation 2005DEN/TUM

H H
Quinuclidine
96.2G2 402.5G8.4 PAC 2002LAL/ALL

H
N
H
1,4-Diazabicyclo(2.2.2)octane
N
(1) 93 389.1 (1) Electrochemical (1) 2000ZHE/EVE
H (2) 93.8G2 392.5G8.4 (2) PAC (2) 2002LAL/ALL
N
H
Pyridine
4 3
12
N
C–H bond at 2 site (1) 102.7 429.7 Shock tube (1) 1992DOU/MAC
(2) 105G0.2 439.3G0.8 (2) 1997KIE/ZHA
(continued)
Table 3.6.2.4 (continued) C–H BDEs in Heterocyclic Species
BDEs (boldfaceZ
recommended data;
at 3 site (2) 112G2 468.6G8.4

at 4 site (2) 112G2 468.6G8.4
DfH0(pyrid-2-yl)Z86.5 (361.9)
DfH0(pyrid-3-yl)Z93.5 (391.2)
DfH0(pyrid-4-yl)Z93.5 (391.2)
Pyrimidine
4 N
5 3
12
N
C–H bond at 2 site (1) 95.8 400.8 Shock tube (1) 1992DOU/MAC
(2) 98G2 410.0G8.4 (2) 1997KIE/ZHA
at 4 site (1) 102.8 430.1
(2) 103G2 431.0G8.4
at 5 site (1) 111.2 465.3
(2) 112G2 468.6G8.4
DfH0(Pyrimid-2-yl)Z92.7G3
(387.9G12.6)
(408.4G12.6)
(446.4G12.6)
Pyrazine
H N H
2 103G2 431G8 Shock tube 1997KIE/ZHA
3
H N H
DfH0(pyrazin-2-yl)Z97.8G3
(409.2G12.6)
Pyridines, substituted
543
61 2 CH2 H
N
2-CH3 87.2 365.0 Correlation 2002KRO/TUM

3-CH3 90.4 378.2
4-CH3 86.5 362.1
2,4,6-(CH3)3 87.7 366.9
1,4-Dihydropyridines, substituted
X1 X4
H
N X
H
X2 X3
X1aC(O)NH2,
X2aX3aX4aH
XaPh 69.2 289.5 AOP 2003ZHU/LI
PhCH2 67.9 284.1
4-Cl–C6H4 69.1 289.1
4-Br–C6H4 69.2 285.5
4-CH3–C6H4 69.2 285.5
4-CF3–C6H4 69.5 290.8
4-MeO–C6H4 69.4 290.4
X1aX2aC(O)NH2,
X3aX4aMe
XaH 69.4 290.4
Me 68.8 287.9
Piperazine
H
N
4 3 (1) 90 376.6 (1) PAC (1) 1993CLA/WAY
1 2 H (2) 93 389.1 (2) PAC, revised (2) 1999LAA/MUL
N H
H
Quinlines, substituted
8 N
7 12
3 CH2 H
6 5 4
2-CH3 87.6 366.6 Correlation 2002KRO/TUM

3-CH3 88.9 372.1
4-CH3 86.1 360.1
5-CH3 87.5 366.3
6-CH3 88.7 371.0
7-CH3 88.7 371.0
8-CH3 90.3 377.8
2-Benzyl pyridine
H
(1) 82.3 344.3 (1) VLPP (1) 1984ROS/MCM
N CH (2) 82 343.1 (2) AOP (2) 1992ZHA/BOR
1
4
(continued)
Table 3.6.2.4 (continued) C–H BDEs in Heterocyclic Species
BDEs (boldfaceZ
recommended data;
3-Benzyl pyridine
N
6 1 2 H
5 4 3 84 351.5 AOP 1992ZHA/BOR
CH
4-Benzyl pyridine
N
6 1 2
5 3 (1) 82.3 344.3 (1) VLPP (1) 1984ROS/MCM
4
(2) 83 347.3 (2) AOP (2) 1992ZHA/BOR
H CH
R
H
R= N 66 276.1 AOP 1992ZHA/BOR(b)
N 68 284.5
N 72 301.2
N 71.5 299.2
N 72 301.2
N 71 297.1
N 73 305.4
2
R2
R1
N
H
R1ZMe R2ZMe 71.5 299.2 AOP 1992ZHA/BOR(b)

Et Et 70.5 295.0
i-Pr i-Pr 73 305.4
n-Bu Me 72 301.2
PhCH2 Me 72.5 303.3
10-Methyl-9,10-dihydro-acridine,
substituted
H X
CH3
XaH (1) 72.0G1.6 301.2G6.7 Electrochemical (1) 1998ANN/FRA
(2) 73.7 308.4 (2) 2003ZHU/LI
CN (1) 71.3G1.5 298.3G6.3
3-Methyl-1-benzylpyridinium
bromide
Me
PhCH2 N Br- 84.7 354.4 AOP 1993ZHA/BOR
1-Benzyl pyridinium chloride 84.7 354.4 AOP 1993ZHA/BOR

PhCHC
2 NPyCl
K
3.6.3 C–H BDEs with a-O, -N and their groups

Table 3.6.3 C–H BDEs with a-O, -N and Their Groups
BDEs
(1Z)-2-Aza-2-methoxy-1,1- 94.9 397.1 AOP 1992BOR/JI

phenylvinylamine
PhC(NH2)aNOCH3
Ethanolamine 90.7G2 379.5G8.4 PAC 2002LAL/ALL

HOCH2CH2NH2
Methyldiethanolamine 87.1G2 364.4G8.4 PAC 2002LAL/ALL

((HOCH2CH2)2(CH3))N
Triethanolamine 90.8G2 379.9G8.4 PAC 2002LAL/ALL

(HOCH2CH2)3N
Tri-iso-propanolamine (1) 90.8G2 379.9G8.4 PAC 2002LAL/ALL

((HOCH2)CH(CH3))3N (2) 93.2G2 389.9G8.4
2-Hydroxypropanenitrile 87.3 365.3 Re-anal. 1998BRO/BEC

(CN)CHMe(OH)
2-Methoxyethanenitrile 90.3 377.8 Re-anal. 1998BRO/BEC

(CN)CH2OMe
2-Methoxy-2-phenylethane- 77.5 324.3 AOP 1992BOR/ZHA

nitrile
MeOCH(Ph)CN
2-Phenyl-2-phenoxyethane- 79.5 332.6 AOP 1992BOR/ZHA

nitrile
PhOCH(Ph)CN
N,N-Dimethylacetamide 91.0 380.9 Correlation 2000DEN/KHU

Me2NC(O)CH3
Methyl 2-(dimethylamino)- 77 322.2 PAC 1993CLA/WAY

acetate
Me2NCH2C(O)Me
N-iso-Propylacetamide 93.1 389.5 Correlation 2000DEN/KHU

(CH3)2CHNHC(O)Me
N,N-Dimethylformamide 81.7G0.5 341.8G2.1 Derived 1999FOR/BUT

H–C(O)N(CH3)2
N,N-Dimethylformamide w105 w439 Derived 1999FOR/BUT

HC(O)N(CH3)2
Phenyl pyridyl ketone 85.7 358.6 AOP 2002ALN/ZHA

PhC(O)CH2Py
2-(Dimethylamino)-1-phenyl- 78.3 327.6 Re-anal. 1998BRO/BEC

ethan-1-one
N(CH3)2CH2C(O)Ph
Phenyl methylene ketone 96.8 405.0 AOP 1997CHE/LIU

trimethylammonium bromide
PhCðOÞCHC
2 NMe3 Br
K
Glycine ion %82.0 %343 Electrochemical 1997ZHA/LIN

NH2CH2C(O)OK
Glycine %78.6 %329 Electrochemical 1997ZHA/LIN

NH2CH2C(O)OH
(continued)
Table 3.6.3 (continued) C–H BDEs with a-O, -N and Their Groups
BDEs
2-Cyanoacetic acid 95.2 398.4 Correlation 2002TUM/KRO

(CN)CH2C(O)OH
2-(Acetylamino)acetic acid 96.1 402.2 Correlation 2002TUM/KRO

CH3C(O)NHCH2C(O)OH
2-(Acetylamino)propanioc acid 93.9 393.0 Correlation 2002TUM/KRO

CH3C(O)NHCH(CH3)C(O)OH
Methyl-2-aminoacetate 84.3 352.7 Re-anal. 1998BRO/BEC

NH2CH2C(O)OMe
Ethyl-2-aminoacetate 79-83 331-347 PAC 1993CLA/WAY

NH2CH2C(O)OEt
Ethyl-3-(dimethylamino) 88.0 368.0 Correlation 2000DEN/KHU

prooanoate
Me2N(CH2)2C(O)OEt
Ethylamino acetate 95.4 399.2 Correlation 2005DEN/TUM

CH3C(O)ONHCH2CH3
(Methylethyl)amino acetate 94.5 395.5 Correlation 2005DEN/TUM

CH3C(O)ONHCH(CH3)2
Dimethylamino acetate 92.5 386.9 Correlation 2005DEN/TUM

CH3C(O)ON(CH3)2
Glycine anhydride 81.3G3.6 340G15 PAC 1998JON/WAY

NH2CH2C(O)OCH2NH2
tert-Butyl-2-aminopropanoate 81.3 340.2 Re-anal. 1998BRO/BEC

NH2CHMeC(O)OtBu
Methyl 3-cyanopropanoate 91.7 383.8 Correlation 2004TUM/DEN

CH2(CN)CH2C(O)OCH3
Alanine anhydride 77.7G3.6 325G15 PAC 1998JON/WAY

Me(NH2)CHC(O)OCHNH2Me
Ethyl-2-cyano-2-phenylacetates,
substituted
Y C C(O)OEt
CN
YaH (1) 80.9 338.5 AOP (1) 1993BOR/ZHA(b)

(2) 80.3 336.0 (2) 2000CHE/LIU
F (2) 80.3 336.0
Cl (2) 80.8 338.1
Me (2) 80.0 334.7
MeO (2) 78.3 327.6
MeCO2 (2) 82.0 343.1
CF3 (2) 82.2 343.9
CN (2) 83.2 348.1
Ethyl-2-cyano-2-pentafluoro- 85.2 356.5 AOP 1993BOR/ZHA(b)

phenyl-acetate
C6F5CH(CN)C(O)OEt
4,4-Dimethyl pyrrolidin-3-one
H H
O Me
N
Me
78 326.4 PAC 1993CLA/WAY
Me
(continued)
BDEs
1,3-Oxazolidines, substituted
H H
O N R
RaC2H5 88.7 371.2 Correlation 2005TUM

C6H5 88.4 369.9
cyclo-C6H11 88.5 370.1
1,3-Oxazolidines, substituted
C6H5
H
O N C6H5
Raiso-C3H7 87.2 364.8 Correlation 2005TUM

C6H5 86.7 362.6
3-Ethyl-4,4-dimethyl-1,3-oxazolidine
H X
O N Et
CH3 CH3
XaMe 82.1 343.5 PAC 1993CLA/WAY

C(O)OMe 84.1 351.9
Morpholines, substituted
N H
O H
XaH (1) 90.8 379.9 (1) PAC (1) 1993CLA/WAY

(2) 93.0G2.4 389G10.0 (2) PAC (2) 1997WAY/CLA
(3) 94 393.3 (3) PAC (3) 1999LAA/MUL
(4) 92G2 384.9G8.4 (4) PAC (4) 2002LAL/ALL
Ph (5) 86.3 361.0 (5) Correlation (5) 2005DEN/TUM

C(O)Ph (5) 95.8 401.0
7a-ethyl-1H,3H,5H,7H-1,3-
oxazolidino-(3,4-C)1,3-
oxazolidine
O O 89.3G4 373.6G16.7 PAC 2002LAL/ALL

N H
H
NADH
H
R N
H 79.3 331.8 Electrochemical 2003ZHU/YAN
CONH 2
RZadenosine diphosphoribosyl
NADHC%
H
R N
H 36.3 151.9 Electrochemical 2003ZHU/YAN
CONH2
RZadenosine diphosphoribosyl
2-Oxomorpholine
H (1) 75 313.8 (1) PAC (1) 1993CLA/WAY
3
2 H (2) 78 326.4 (2) PAC, revised (2) 1999LAA/MUL
1 O
N
4,5,5-Trimethyl morpholin-2-one
O
H
O
X
N
CH3
CH3 CH3
XaH 75.3 315.1 PAC 1993CLA/WAY

CH3 77.5 324.3
(continued)
BDEs
Phenyl piperazin-2-yl ketones, substituted

R
N COPh
C
N H
R
RaMe 73 305.4 AOP 1992ZHA/BOR(b)
Et 72 301.2
Uracil
H
O
3
2 N
H 1
N 4 O
6 5
H H
C–H bonds at site 5 119.9 501.7 Electron attach. 2004DEN/PTA
6 115.3 482.4
1,4-Diazaperhydroine-2,5-diones, substituted
O
X Bu
H N
N
Bu Me
O
XaH 92.4 386.6 Re-anal. 1998BRO/BEC
Me 89.4 374.0
Phenyl piperidyl ketone
O
N
H
Ph 94.4 395.0 Correlation 2000DEN/KHU
H
Morpholin-4-yl phenyl ketone
O
O N
H Ph
83.3 348.6 Correlation 2000DEN/KHU
H
1,3,5-Trihydropyrimidine-2,4,6-
trione
O
H NH 95.1 397.8 Correlation 2005DEN/TUM
O
H
NH
O
1-Phenyl 2,2-dipiperidylethan-1-one,
analogues
H
X N C COPh
2
XaCH2 74 309.6 AOP 1992ZHA/BOR(b)

O 75 313.8
R H
MeO OMe
RZ N 69 288.7 AOP 1992ZHA/BOR(b)
3.6.4 C–H BDEs with a-C(S), -S, -SO, -SO2

Table 3.6.4 C–H BDEs with a-C(S), -S, -SO, -SO2
BDEs
Thioformaldehyde 95.5G1.2 399.6G5.0 Recommended 1994BER/ELL

H–C(S)H
DfH0(R)Z71.8G2 (300.4G8.4)
Methanethiol (1) 92.4G2.0 386.6G8.4 (1) PIMS (1) 1992RUS/BER

CH3SH (2) 93.9G2.0 392.9G8.4 (2) Recommended (2) 1994BER/ELL
DfH0(R)Z36.3G2 (151.9G8.4)
(continued)
Table 3.6.4 (continued) C–H BDEs with a-C(S), -S, -SO, -SO2
BDEs
Dimethyl sulphide (1) 91G2.5, 0 K 380.7G10.5 (1) PD (1) 1991NOU/NOR

CH3SCH3 (2) 93.7G1.4 392.0G5.9 (2) RF detec. (2) 1994JEF/NIC
DfH0(R)Z32.7G1.4 (136.8G5.9) (3) 91.8G0.6, 384.1G2.5 (3) PI (3) 2001CHE/CHE
0K
Diethyl disulfide (1) 93.3 390.2 Correlation (1) 2005DEN/TUM

CH3CH2SCH2CH2CH3 (2) 92.2 385.7 (2) 2005TUM
1,1-Diethylthio-ethane 89.9 376.1 Correlation 2005DEN/TUM

(CH3CH2S)2CHCH3
1,1-Diethylthio-3-methylbutane (1) 93.0 389.0 Correlation (1) 2003TUM/DEN

(CH3CH2S)2CHCH(CH3)2 (2) 90.0 376.5 (2) 2005TUM
1,1-Dibutylthio-3-methylbutane 92.1 385.6 Correlation 2003TUM/DEN

(CH3CH2CH2CH2S)2CHCH(CH3)2
Adduct of BH3 and S(CH3)2 95.8G3 400.8G12.6 CID 1998REN/WOR

H3BS(CH3)2
2-Alkyl-1,3-dithiolanes
S H
S R

iso-C3H7 88.2 369.1
n-C6H13 87.8 367.5
2,2-Methyl-1,3-dithiolanes
S CH 3 96.6 404.0 Correlation 2005TUM

H S CH3
H
2-Alkyl-thio-2HK3,4,5,6-tetra-
hydropyrans
O S R
RaC2H5 89.5 374.6 Correlation 2005DEN/TUM

C5H11 89.4 374.1
C8H17 90.3 378.0
1,3-Oxathianes, substituted
O H
R2
S R1
R1aC3H7, R2aCH3 89.4 374.2 Correlation 2005TUM

i-C3H7, CH3 89.6 374.7
C3H7, C5H11 89.5 374.6
1,3-Dithianes, substituted
S
H 92.7 388.0 Correlation 2005TUM
S iso-Pr
2,4-Dialkel-1,3-dithianes
S
H
C4H9
S R
Ran-C3H7 88.8 371.5 Correlation 2005TUM

iso-C3H7 89.4 373.9
4-Alklyl-1,3-dithianes
H
S
S R
RaCH3 (1) 91.0 380.9 Correlation 2005TUM

n-C3H7 (2) 89.2 373.1
iso-C3H7 (1) 87.2 365.0
(continued)
BDEs
2-Alkyl-1,3-dithiepanes
S H
R
S

n-C3H7 88.4 369.8
iso-C3H7 88.5 370.1
4-(Methylethyl)-1,3-dithiepane
CH(CH3)2 92.7 388.0 Correlation 2003TUM/DEN

S
S H
4-(Methylethyl)-1,3-dithiocane
CH(CH3)2 91.9 384.7 Correlation 2003TUM/DEN

S
S H
1,3,5-Trithiane
S
H 92.9 388.8 Correlation 2005TUM
S
S H
Phenyl methyl sulphide 93.0 389.1 AOP 1993ZHA/BOR

PhSCH3
DfH0(R)Z64.2G3 (268.6G12.6)
Benzyl phenyl sulphide (1) 84.2 352.3 AOP (1) 1993ZHA/BOR

PhCH2SPh (2) 82.2 343.9 (2) 1998BOR/LIU
DfH0(R)Z104.1G3 (435.6G12.6)
Di(phenylthio)phenyl methane 81.5 341.0 AOP 1992BOR/ZHA

(PhS)2CHPh
Phenyl diphenylmethyl sulphide 82.4 344.8 AOP 1992BOR/ZHA

PhSCHPh2
1,3-Oxathiolanes, substituted
O H
S R
RaH (1) 91.0 380.9 Correlation (1) 2002TUM/KRO

(2) 90.4 378.3 (2) 2005TUM
Me (1) 90.3 377.8
Et (1) 90.3 377.8
(2) 88.6 370.8
Pr (2) 88.7 371.1
iso-Pr (1) 90.3 377.8
(2) 88.6 370.6
2,2-Dimeyl-oxathiolane

O
Me
H S
H
Dimethyl sulphoxide 94 393.3 AOP 1998BOR/LIU

CH3SOCH3
DfH0(R)Z5.7G3 (23.8G12.6)
Dimethyl sulphone 99 414.2 AOP 1991BOR/HAR

CH3SO2CH3
DfH0(R)ZK42.3G3 (K177.0G12.6)
Methyl trofluoromethyl sulphone 103 431.0 AOP 1991BOR/HAR

CH3SO2CF3
Methyl phenyl sulphone 99 414.2 AOP 1991BOR/HAR

CH3SO2Ph
DfH0(R)ZK13.7G3 (K57.3G12.6)
Methyl p-NO2-phenyl sulphone 95 397.5 AOP 1995ZHA/BOR

CH3SO2(p-NO2-C6H4)
Benzyl methyl sulphone 91 380.7 AOP 1992ZHA/BOR

PhCH2SO2Me
DfH0(R)ZK26.1G3 (K109.2G12.6)
(continued)
BDEs
Benzyl trifluoromethyl sulphone 89 372.4 AOP 1992ZHA/BOR

PhCH2SO2CF3
Benzyl tert-butyl sulphone 90 376.6 AOP 1992ZHA/BOR

PhCH2SO2-tert-Bu
Benzyl phenyl sulphone

PhCH2SO2Ph (1) 89.7 375.3 AOP (1) 1998BOR/LIU
DfH0(R)Z1.7G3 (7.1G12.6) (2) 90.2 377.4 (2) 1992ZHA/BOR
Di(methyl sulphonyl) methane 101.4 424.3 AOP 1994BOR/ZHA

CH2(CH3SO2)2
Di(trifluoromethyl sulphonyl) 113 472.8 AOP 1991BOR/HAR

methane
CH2(CF3SO2)2
Di(ethyl sulphonyl) methane 101.3 423.8 AOP 1994BOR/ZHA

CH2(EtSO2)2
Di(isopropyl sulphonyl) methane 100.1 418.8 AOP 1994BOR/ZHA

CH2(iso-PrSO2)2
Di(t-butyl sulphonyl) methane 99.7 417.1 AOP 1994BOR/ZHA

CH2(tert-BuSO2)2
Di(phenyl sulphonyl) methane 98 410.0 AOP 1994BOR/ZHA

CH2(PhSO2)2
((Diphenylmethyl)sulfonyl)-benzene 87.3 365.3 AOP 1991BOR/ZHA

Ph2CHSO2Ph
DfH0(R)Z24.4G3 (K102.1G12.6)
Di(phenylthio) methane 89 372.4 AOP 1995ALN/ZHA

CH2(SPh)2
2,2,2-Trimethyl-1-(phenylfonyl)-2- 99.4 415.9 AOP 1995ZHA/ZHA

silaethane
PhSO2CH2SiMe3
2,2,2-Triphenyl-1-(phenylfonyl)-2- 97.4 407.5 AOP 1995ZHA/ZHA

silaethane
PhSO2CH2SiPh3
1-(1,1-Dimethyl)-1-silaethyl)-2,2- 96.5 403.8 AOP 1995ZHA/ZHA

dimethyl-1-(phenylsulfonyl)-2-
silapropane,
PhSO2CH(SiMe3)2
Methyl N-(p-tolylsulfonyl)phenyl-
oxosulfoximes
PhS(O)(aNSO2C7H7)CH3 103.1 431.4 AOP 1995ZHA/ZHA
PhSO2CH(CHaCH2)(SiMe3) 99.8 417.6
2,2-Dimethyl-1-(phenylsulfonyl)- 91.1 381.2 AOP 1995ZHA/ZHA

2-sila-vinylpropane
PhS(O)(aNSO2C7H7)CH3
Benzyl dimethylsulfonium bromide 83.2 348 AOP 1997CHE/LIU

PhCHC
2 SMe2 Br
K
Benzyl dibutylsulfonium bromide (1) 84.1 352 AOP (1) 1997CHE/LIU

PhCHC
2 SðnBuÞ2 Br
K
(2) 83.8 350.6 (2) 1998CHE/LIU
Phenyl methylene ketone 94.9 397 AOP 1997CHE/LIU

dibutylsulfonium bromide
PhCðOÞCHC
2 SðBuÞ2 Br
K
Benzyl dibutylsulfonium, substituted

H
CH +SMe
2
Y
YaH (1) 83.1 347.7 AOP (1) 1998CHE/LIU
p-Me (2) 82.5 345.2 (2) 2000CHE/LIU
(continued)
BDEs
p-CN (2) 86.0 359.8

p-MeO (1) 84.6 354.0
p-MCO2 (2) 92.0 384.9
Phenyl phenylsulphonyl methane, substituted

H
Y CH SO2Ph
YaH 90.3 377.8 AOP 1998BOR/LIU

Me 89.1 372.8
Cl 91.8 384.1
Br 90.4 378.2
3.6.5 C–H BDEs with other heteroatoms at a-position

Table 3.6.5 C–H BDEs with Other Heteroatoms at a-Position
BDEs (boldfaceZ
recommended data;
H
X H
XaP (phosphole) %76.7 %320.9 GPA 1994SUN/PAN

As (arsole) %76.7 %320.9
Ylide bromides
PhCHC 2 PðBuÞ3 Br
K
89.1 373 AOP 1997CHE/LIU
PhCHC
2 PðPhÞ3 Br
K
88.7 371
PhCHC
2 AsðBuÞ3 Br
K
91.8 384
PhCHC
2 SeðMeÞ2 Br
K
88.4 370
PhCHC
2 PðBuÞ2 Br
K
88.9 372
PhCHC
2 TeðBuÞ2 Br
K
89.9 376
PhCðOÞCHC
2 PðBuÞ3 Br
K
93.2 390
PhCðOÞCHC
2 PðPhÞ3 Br
K
96.6 404
PhCðOÞCHC
2 AsðPhÞ3 Br
K
95.8 401
PhCðOÞCHC
2 SeðMeÞ2 Br
K
98.0 410
PhCðOÞCHC
2 TeðBuÞ2 Br
K
97.3 407
Ylide bromides
FLHCP(Bu)3BrK 81.5 340.8 AOP 1997LIU/HUA
PhCHC
2 PðPhÞ3 Br
K
81.6 341.5
C
PhCH2 AsðPhÞ3 BrK 82.6 345.6
FLZfluorenyl
2,2-Dimethyl-2-silapropane 100G1.5 418G6.3 Iodination 1998BEC/WAL

H–CH2SiMe3
DfH0(R)ZK7.6G1.5 (K32G6)
2,2,3,3-Tetramethyl-2-silabutane 97.8G1.2 409G5 Iodination 1998BEC/WAL

H–CH2C(CH3)2SiMe3
DfH0(R)ZK29.8 (K125)
Phenyl-trimethyl-silane 98.0 410.1 Correlation 2002TUM/KRO

H–CH2SiMe2Ph
Bis(trimethylsilyl)methane 95G3 397G13 Electron 1998ROM/GAT

H–CH((CH3)3Si)2 photodetach.
Alkyldioxaborolanes 98.6 412.5 EPR 2000WAL/MCC

H–CH2B(RO)2
Bis(dimethylphosphino)methane 92G3 385G13 Electron 1998ROM/GAT

H–CH((CH3)2P)2 photodetach.
Organoferric species, FeII

H–C bonds in a CH3 group
FeII ðC5 H5 Þðh6 C6 Me6 ÞCPFK
6 86.5G1.5 362G6 Electrochemical 1999TRU/CAS
FeII ðC5 Me5 Þðh6 C6 Me6 ÞCPFK
6 85.5G2 358G8
FeII ðC5 H5 Þðh6 C6 H5 CH2 C6 H5 ÞCPFK
6 84G2 351G8
FeII ðC5 H5 Þðh6 C6 H5 CHPh2 ÞCPFK
6 82.6G2 346G8
FeII ðC5 H5 Þðh6 fluoreneÞCPFK
6 81G2 339G8
FeII(C5H5)(h6-C6Me) 67.5G1.5 282G6
Organoferric species, FeI

FeI(C5Me5)(h6-C6Me6) 65.1G2 272G8 Electrochemical 1999TRU/CAS
II 6
Fe (C5H5)(h -C6H5CH2C6H5) 59.4G1.5 249G6
FeII(C5H5)(h6-C6H5CHPh2) 58G1.5 243G6
FeII(C5H5)(h6-fluorene) 52.6G1.5 220G6
Organoferric species, Fe0

Fe0(C5H5)(h6-C6Me6)K 68.2G2 285G8 Electrochemical 1999TRU/CAS
Fe0(C5Me5)(h6-C6Me6)K 67.5G2 282G8
(continued)
Table 3.6.5 (continued) C–H BDEs with Other Heteroatoms at a-Position
BDEs (boldfaceZ
recommended data;
Fe0(C5H5)(h6-C6H5CH2C6H5)K 59.6G2 249G8

Fe0(C5H5)(h6-C6H5CHPh2)K 59.3G2 248G8
0 6 K
Fe (C5H5)(h -fluorene) 44.1G2 185G8
Organoferric species, FeIII

FeIII(C5H5)(h6-C6Me6)2C 48.2G3 202G12 Electrochemical 1999TRU/CAS
FeIII(C5Me5)(h6-C6Me6)2C 48.1G3 201G12
FeIII(C5H5)(h6-C6H5CH2C6H5)2C 48.5G3 203G12
FeIII(C5H5)(h6-C6H5CHPh2)2C 47G3 197G12
FeIII(C5H5)(h6-fluorene)2C 51G3 213G12
Note: (1) The BDEs in the clusters and complexes of C-, Si-, Ge-, Sn-, and Pb-ions are listed in Chapter 24. (2) The
BDEs in the clusters and complexes of N-, P-, As-, Sb-, and Bi-ions are listed in Chapter 25. (3) The BDEs in the
clusters and complexes of O-, S-, Se-, Te-, and Po-ions are listed in Chapter 26. (4) The BDEs in the clusters and
complexes of halogenated ions are listed in Chapter 27.
3.7 C–H BDEs in radicals

Table 3.7 C–H BDEs in Radicals
BDEs (boldfaceZ
recommended data;
Methylidyne
C–H 80.9G0.3 338.4G1.2 Spectroscopy 1979HUB/HER
–D 81.6 341.4
Methylene 101.0G0.4 422.6G1.7 Derived from 2004RUS/BOG

CH–H DfH0 in ref.
Methyl radical 110.5G0.4 462.5G1.6 Derived from 2004RUS/BOG

CH2–H DfH0 in ref.
Ethyl radical 36.2G0.4 151.5G1.3 Derived from 1986PED/NAY

C%H2CH3 DfH0 in ref.
n-Propyl radical 33.0G0.6 138.1G2.5 Derived from 1986PED/NAY

C%H2CH2CH3 DfH0 in ref.
iso-Propyl radical 35.9G0.8 150.2G3.3 Derived from 1986PED/NAY

CH3C%HCH3 DfH0 in ref.
n-Butyl radical 33.5G0.6 140.2G2.5 Derived from 1986PED/NAY

C%H2CH2CH2CH3 DfH0 in ref.
iso-Butyl radical 31.4G1.0 131.4G4.2 Derived from 1986PED/NAY

(CH3)2CHC%H2 DfH0 in ref.
sec-Butyl radical 35.9G0.6 150.2G2.5 Derived from 1986PED/NAY

CH3C%HCH2CH3 DfH0 in ref.
tert-Butyl radical 36.6G0.8 153.1G3.3 Derived from 1986PED/NAY

(CH3)2C%CH3 DfH0 in ref.
n-Pentyl radical 34.0G1.0 142.3G4.2 Derived from 1986PED/NAY

C%H2CH2CH2CH2CH3 DfH0 in ref.
Pentyl-2 radical 32.5G1.0 136.0G4.2 Derived from 1986PED/NAY

CH3CH2CH2C%HCH3 DfH0 in ref.
2-Methyl-butyl-2 radical 35.1G1.0 146.9G4.2 Derived from 1986PED/NAY

CH3CH2C%(CH3)2 DfH0 in ref.
n-Hexyl radical 33.7G1.0 141.0G4.2 Derived from 1986PED/NAY

C%H2CH2CH2CH2CH2CH3 DfH0 in ref.
Hex-2-yl radical 32.2G1.2 134.7G5.0 Derived from 1986PED/NAY

CH3C%HCH2CH2CH2CH3 DfH0 in ref.
2-Methyl pent-2-yl radical 36.3G2 151.9G8.4 Derived from 1986PED/NAY

C2H5CH2C%(CH3)2 DfH0 in ref.
3-Methyl pent-3-yl radical 35.1G2.5 146.9G10.5 Derived from 1986PED/NAY

CH3CH2C%(CH3)(C2H5) DfH0 in ref.
(continued)
Table 3.7 (continued) C–H BDEs in Radicals
BDEs (boldfaceZ
recommended data;
Acetenyl radical 111.8G2.1 467.6G8.8 Derived from 1994GIN/FIN

%
CbC–H DfH0 in ref.
Propargyl radical 100G5 418G21 GPA 1999WEN/LIN

H2CCC%KH
Carbene 87.3G4 365.3G16.7 Derived from 1999AHM/PET

%%
CaCH–H DfH0 in ref.
Vinyl radical 35.0G0.9 146.4G3.8 Derived from 1986PED/NAY

C%HaCH2 DfH0 in ref.
Vinyl radical (1) 80.0G5 334.7G21 Derived (1) 1989ERV/HO

CH2C%–H (2) 80.8G4 338.1G16.7 (2) This volume
Allyl radical 56.8G0.8 237.7G3.3 Derived from 1986PED/NAY

CH2aCH-C%H2 DfH0 in ref.
1-Propen-1-yl 32.5G1.5 136.0G6.3 Derived from 1986PED/NAY

CH3CHaC%H DfH0 in ref.
1-Propen-2-yl 42.3G2 177.0G8.4 Derived from 1986PED/NAY

CH3-C%aCH2 DfH0 in ref.
1-Buten-4-yl radical 32.4G2.5 135.6G10.5 Derived from 1986PED/NAY

CH2CHCH2C%H2 DfH0 in ref.
Allyl radical 104.0G3.4 435.1G14.2 Derived 1997POU/NAS

CH2CHC%H–H
1-Butan-3-yl radical 75.7 316.5 Derived 2004JAN/ROS

CHbC–%CHCH3
1,2-Butadien-4-yl radical 74.9 313.3 Derived 2004JAN/ROS

CH2aCaCH–C%H2
1-Buten-3-yl radical 32.6 136.2 Derived 2004JAN/ROS

CH2aCH–%CH–CH3
2-Methylallyl radical 90G2 377G8 Derived 1999WEN/HU

CH2C(CH3)C%H2
Cyclo-propyl radical
H 51.4G2.6 215.1G10.9 Derived from 1986PED/NAY
H DfH0 in ref.
H
Cyclo-propyl methyl radical
H 48.9G2 204.6G8.4 Derived from 1986PED/NAY

CH2
DfH0 in ref.
Cyclo-butyl radical

H
H DfH0 in ref.
1-Phenyl-cyclo-buten-3-yl radical
76G4.2 318.0G17.6 FT-MS 2005FAT/LIS

H
C6H5
Cyclo-pent-en-3-yl radical
H
45.8G1.5 191.6G6.3 Derived from 1986PED/NAY
H DfH0 in ref.
H
Cyclo-pentyl radical
DfH0 in ref.
H
H
(continued)
BDEs (boldfaceZ
recommended data;
2-Ethyl-cyclo-pentyl radical
CH3 36.2G1.5 151.5G6.3 Derived from 1986PED/NAY
DfH0 in ref.
H
H
Cyclo-hexa-1,3-dien-5-yl radical
H H
H
DfH0 in ref.
Cyclo-hexa-1-en-3-yl radical
H
H DfH0 in ref.
Cyclo-hexyl radical
H
H DfH0 in ref.
H
1-Methyl-cyclo-hexyl radical
CH3 36.3G1.5 151.9G6.3 Derived from 1986PED/NAY
H
DfH0 in ref.
H
1-Ethyl-cyclo-hexyl radical
C2H5
H DfH0 in ref.
H
Cyclo-heptenyl radical
H DfH0 in ref.
H
Cyclo-heptyl radical
H
H
DfH0 in ref.
H
Cyclo-octanyl radical
H
H
DfH0 in ref.
H
3,5-Didehydrophenyl radical
109.2G5.6 456.9G23.4 CID 2002LAR/NAS

H
Phenyl radical 78.3 327.6 Derived 1992GRA

C6H4–H
Benzyl radical 105.2G3.5 440.2G14.6 Derived 1997POU/NAS

C6H5C%H–H
a-Methylbenzyl radical (1) 45.1G2.0 188.7G8.4 (1) Der. from (1) 1996NIST
H–CH2C%HPh (2) 47.9 200.4 DfH0 in ref. (2) 2003TAN/PAP
(2) Kinetics
2-Naphthyl radical
H H
H
8 1
7 2
6 3
5 4
H H
H H

6 site 107G4 447.7G16.7
Fluoromethylene 78.9G3.8 330.1G15.9 Derived from 1997POU/PAU

CF–H DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
Chloromethylene 80.0G3.8 334.7G15.9 Derived from 1997POU/PAU

CCl–H DfH0 in ref.
Difluoromethyl radical 65.7G2 274.9G8.4 Derived from 1996NIST

CF2–H DfH0 in ref.
Dichloromethyl radical 83.8G2 350.6G8.4 Derived This volume

CCl2–H
Chlorofluoromethyl radical 74.0G4 309.6G16.7 Derived This volume

CClF–H
Dibromomethyl radical 84.5G2.5 353.5G10.5 Derived This volume

CBr2–H
Bromochloromethyl radical 81.7G2 341.8G8.4 Derived This volume

CClBr–H
Diiodomethyl radical 84.3G14 352.7G60 Derived This volume

CI2–H
Fluoromethyl radical 93.9G3.2 392.9G13.4 Derived from This volume

CHF–H DfH0 in ref.
Chloromethyl radical 102.1G2.5 427.2G10.5 Derived This volume

CHCl–H
1,2-Difluoro-vin-1-yl radical 69.2G2.5 289.5G10.5 Derived from 1996NIST

CHFaC%F DfH0 in ref.
1,2-Dichloro-vin-1-yl radical 46.1G2.5 192.9G10.5 Derived from 1996NIST

CHClaC%Cl DfH0 in ref.
1-Chloro-vin-1-yl radical 43.2! 181! Derived from 1996NIST

CH2aC%Cl DfH0 in ref.
1,1,2,2-Tetrafluoro-eth-1-yl radical 53.1G2.5 222.2G10.5 Derived from 1996NIST

CHF2C%F2 DfH0 in ref.
1,1,2-Trifluoro-eth-1-yl radical 46.3G2.5 193.7G10.5 Derived from 1996NIST

CH2FC%F2 DfH0 in ref.
1,1-Difluoro-eth-1-yl radical 44.8G3 187.4G12.6 Derived from 1996NIST

CH3C%F2 DfH0 in ref.
1,2,2-Trifluoro-eth-1-yl radical 47.8G2.5 200.0G10.5 Derived from 1996NIST

CHF2C%HF DfH0 in ref.
1-Fluoro-eth-1-yl radical 36.5G3 152.7G12.6 Derived from 1996NIST

CH3C%HF DfH0 in ref.
2,2-Difluoro-eth-1-yl radical 40.6G3 169.9G12.6 Derived from 1996NIST

CHF2C%H2 DfH0 in ref.
2-Fluoro-eth-1-yl radical 33.9G3 141.8G12.6 Derived from 1996NIST

CH2FC%H2 DfH0 in ref.
1,1,2,2-Tetrachloro-eth-1-yl radical 43.5G3 182.0G12.6 Derived from 1996NIST

CHCl2C%Cl2 DfH0 in ref.
1,1,2-Trichloro-eth-1-yl radical 41.2G3 172.4G12.6 Derived from 1996NIST

CH2ClC%Cl2 DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
1,1-Dichloro-eth-1-yl radical 37.3G3 156.1G12.6 Derived from 1996NIST

CH3C%Cl2 DfH0 in ref.
1,2,2-Trichloro-eth-1-yl radical 36.4G3 152.3G12.6 Derived from 1996NIST

CHCl2C%HCl DfH0 in ref.

CH2ClC%HCl DfH0 in ref.
1-Chloro-eth-1-yl radical 38.8G3 162.3G12.6 Derived from 1996NIST

CH3C%HCl DfH0 in ref.

CHCl2C%H2 DfH0 in ref.
2-Chloro-eth-1-yl radical 34.9G2 146.0G8.4 Derived from 1996NIST

CH2ClC%H2 DfH0 in ref.
1-Bromo-eth-1-yl radical 40.7G2 170.3G8.4 Derived from 1996NIST

CH3C%HBr DfH0 in ref.
2-Bromo-eth-1-yl radical 38.7G2 161.9G8.4 Derived from 1996NIST

CH2BrC%H2 DfH0 in ref.
1-Chloro-pro-1-yl radical 35.8G2 149.8G8.4 Derived from 1996NIST

CH3CH2C%HCl DfH0 in ref.
2-Chloro-pro-2-yl radical 39.1G2 163.6G8.4 Derived from 1996NIST

CH3CC%ClCH3 DfH0 in ref.
C%H2CH2CH2Br 34.8G2 145.6G8.4 Derived from 1996NIST

CH3C%HCH2Br 40.4G2.5 169.0G10.5 DfH0 in ref.
CH3C%HCH2Br 39.5G2.5 165.3G10.5
HOCH2C%H2 29.3G2.5 122.6G10.5 Derived from 1996NIST

DfH0 in ref.
CH3C%HOH 81G4 339G17 Derived This volume
CH3C%HOH 35.6G2.5 149.0G10.5 Derived from 1996NIST

C%H2CH2OH 31.0G2.5 129.7G10.5 DfH0 in ref.
CH3CH2C%HOH 31.1G2.5 130.1G10.5
CH3C%HCH2OH 30.5G2.5 127.6G10.5
C%H2CH2CH2OH 38.6G3 161.5G12.6
(CH3)C%(CH3)OH 36.6G3 153.1G12.6
C%H2CH(OH)CH3 25.0G3 104.6G12.6
C2H5OC%HCH3 38.0G3 159.0G12.6
HOCH2C%HOH 29.2G3 122.2G12.6
C%H2OD 78.4G2.3 328.0G9.6 PD 2004FEN/DEM
HC%(O) 15.10G0.11 63.18G0.46 Derived 1997BEC/CAR
CH3C%(O) 33.7G2 141.0G8.4 Derived from 1996NIST

DfH0 in ref.
C%H2C(O)H 28.8G2 120.5G8.4 Derived from 1996NIST

CH3C%HC(O)OH 41.6G3 174.1G12.6 DfH0 in ref.
CH3O% 21.1G1 88.3G4 Derived from 1996NIST

CHCl2O% 7.2G2.4 30.1G10 DfH0 in ref.
CH2aCHO% 26.8G0.5 112.1G2
CH3CH2O% 14.5G1 60.7G4
(continued)
BDEs (boldfaceZ
recommended data;
CH3CH2CH2O% 14.2G2 59.4G8 Derived from 1996NIST

DfH0 in ref.
(CH3)2CHO% 11.8G1 49.4 Derived from 1986PED/NAY

DfH0 in ref.
CH3CH2CH2CH2O% 16.5G2 69.0G8 Derived from 1996NIST

DfH0 in ref.
C2H5CH(CH3)O% 11.7G1 49.0G4 Derived from 1986PED/NAY

C6H5CH2O% 17.7G3 74.1G12.6 DfH0 in ref.
H–C(O)O% K11.0G3 K46.0G12.6 Derived from 1995KIN/BRA

DfH0 in ref.
H–CH2C%(CH3)C(O)OCH3 45.6 190.8 Kinetics 2003TAN/PAP

H–CH(R)C%(CH3)C(O)OCH3 46.1 192.9
H–CHN 23G6, at 0 K 96G25 PES 1991COW/TRA
H–HCNN 97G2 405.8G8.4 PES 1998CLI/WEN(b)
CH3C%HNH2 36.6G3 153.1G12.6 Derived from 1996NIST

CH3C%HCN 40.9G3 171.1G12.6 DfH0 in ref.
C%H2CH2CN 36.4G3 152.3G12.6
NCC%HCH2CN 42.1G4 176.1G16.7
H–C%(S) 47.3G3 197.9G12.6 Derived This volume
H–C%H2S 50.6G2.0 211.7G8.4 Derived This volume
H–C%P 119.1, at 0 K 498.2 Spectroscopy 1993MAS/LEH
chapter four
BDEs of C–C bonds
4.1 Saturated hydrocarbons

Table 4.1 C–C BDEs in Saturated Hydrocarbons
BDEs (boldfaceZ
recommended data;
group) kcal/mol kJ/mol parentheses) References
Ethane 90.2G0.2 377.4G0.8 Derived from DfH0 in ref. 1986PED/NAY

CH3–CH3
Propane 88.5G0.5 370.3G2.1 Derived from DfH0 in ref. 1986PED/NAY

CH3–C2H5
Butane 88.9G0.7 372.0G2.9 Derived from DfH0 in ref. 1986PED/NAY

CH3–nC3H7
Iso-butane 88.2G0.9 369.0G3.8 Derived from DfH0 in ref. 1986PED/NAY

CH3–iso-C3H7
Pentane 88.8G0.7 371.5G2.9 Derived from DfH0 in ref. 1986PED/NAY

CH3–nC4H9
3-Methylbutane 88.5G1.1 370.3G4.6 Derived from DfH0 in ref. 1986PED/NAY

CH3–iso-C4H9
(continued)
147
Table 4.1 (continued) C–C BDEs in Saturated Hydrocarbons
BDEs (boldfaceZ
recommended data;
2-Methylbutane 88.0G0.7 368.2G2.9 Derived from DfH0 in ref. 1986PED/NAY

CH3–sec-C4H9
2,2-Dimethylpropane 86.9G0.7 363.6G2.9 Derived from DfH0 in ref. 1986PED/NAY

CH3–tert-C4H9
Hexane 88.1G1.5 368.4G6.3 Derived from DfH0 in ref. 1996NIST

CH3–nC5H11
2-Methylpentane 88.9G1.0 372.0G4.2 Derived from DfH0 in ref. 1986PED/NAY

CH3–CH(CH3)C3H7

CH3–CH(C2H5)2
2,2,-Dimethyl-butane 86.3G1.5 360.9G6.3 Derived from DfH0 in ref. 1996NIST

CH3–C(CH3)2(CH2CH3)
Heptane 88.0G1.5 368.2G6.3 Derived from DfH0 in ref. 1996NIST

CH3–nC6H13
Butane 86.8G0.6 363.2G2.5 Derived from DfH0 in ref. 1986PED/NAY

C2H5–C2H5
Pentane 87.3G0.7 365.3G2.9 Derived from DfH0 in ref. 1986PED/NAY

C2H5–nC3H7
iso-Pentane 86.1G0.9 360.2G3.8 Derived from DfH0 in ref. 1986PED/NAY

C2H5–iso-C3H7
BDEs of C–C Bonds 149
Hexane 86.9G0.8 363.6G3.3 Derived from DfH0 in ref. 1986PED/NAY

C2H5–nC4H9

C2H5–iso-C4H9

C2H5–sec-C4H9
2,2-Dimethylbutane 84.5G0.9 353.5G3.8 Derived from DfH0 in ref. 1986PED/NAY

C2H5–tert-C4H9
Heptane 86.3G1.5 361.0G6.3 Derived from DfH0 in ref. 1988NIST

C2H5–nC5H11
Octane 86.2G1.5 360.7G6.3 Derived from DfH0 in ref. 1988NIST

C2H5–nC6H13
3-Ethyl-pentane 85.0G1.5 355.4G6.3 Derived from DfH0 in ref. 1988NIST

C2H5–CH(CH2CH3)2
3,3-Dimethyl-pentane 83.5G1.5 349.2G6.3 Derived from DfH0 in ref. 1988NIST

C2H5–C(CH3)2(CH2CH3)

C3H7–iso-C3H7
Hexane 87.5G0.8 366.1G3.3 Derived from DfH0 in ref. 1986PED/NAY

nC3H7–nC3H7

nC3H7–iso-C3H7
(continued)
BDEs (boldfaceZ
recommended data;
Heptane 87.3G0.9 365.3G3.8 Derived from DfH0 in ref. 1986PED/NAY

nC3H7–nC4H9
2-Methylhexane 84.2G1.3 352.3G5.4 Derived from DfH0 in ref. 1986PED/NAY

nC3H7–iso-C4H9

nC3H7–sec-C4H9
2,2-Dimethylpentane 84.6G1.0 354.0G4.2 Derived from DfH0 in ref. 1986PED/NAY

nC3H7–tert-C4H9
2,3-Dimethylbutane 84.5G1.1 353.5G4.6 Derived from DfH0 in ref. 1986PED/NAY

iso-C3H7–iso-C3H7

iso-C3H7–nC4H9

iso-C3H7–iso-C4H9

iso-C3H7–sec-C4H9
2,2,3-Trimethylbutane 81.5G1.1 341.0G4.6 Derived from DfH0 in ref. 1986PED/NAY

iso-C3H7–tert-C4H9
Octane 86.7G1.5 362.8G6.3 Derived from DfH0 in ref. 1986PED/NAY

nC3H7–nC5H11
2-Methyl-heptane 85.5G1.5 357.7G6.3 Derived from DfH0 in ref. 1996NIST

iso-C3H7–nC5H11
2,3-Dimethyl-hexane 84.1G1.5 352.0G6.3 Derived from DfH0 in ref. 1996NIST

iso-C3H7–CH(CH3)(C3H7)
3-Ethyl-hexane 85.5G1.5 357.7G6.3 Derived from DfH0 in ref. 1996NIST

nC3H7–CH(CH2CH3)2
3-Ethyl-2-methyl-pentane 82.7G1.5 345.9G6.3 Derived from DfH0 in ref. 1996NIST

iso-C3H7–CH(CH2CH3)2
2,2,3-Trimethyl-penane 83.3G1.5 348.4G6.3 Derived from DfH0 in ref. 1996NIST

iso-C3H7–CH2C(CH3)3
2,3,3-Trimethyl-penane 79.6G1.5 333.2G6.3 Derived from DfH0 in ref. 1996NIST

iso-C3H7–C(CH3)2
(CH2CH3)
Octane 87.0G0.9 364.0G3.8 Derived from DfH0 in ref. 1986PED/NAY

nC4H9–nC4H9
2-Methylheptane 86.8G1.3 363.2G5.4 Derived from DfH0 in ref. 1986PED/NAY

nC4H9–iso-C4H9
3-Methylheptane 85.6G0.9 358.2G3.8 Derived from DfH0 in ref. 1986PED/NAY

nC4H9–sec-C4H9
2,2-Dimethylhexane 83.9G1.0 351.0G4.2 Derived from DfH0 in ref. 1986PED/NAY

nC4H9–tert-C4H9

iso-C4H9–iso-C4H9
(continued)
BDEs (boldfaceZ
recommended data;

iso-C4H9–sec-C4H9
2,3,4-trimethylpentane 81.3G1.3 340.2G5.4 Derived from DfH0 in ref. 1986PED/NAY

iso-C4H9–tert-C4H9

sec-C4H9–sec-C4H9
2,2,3-Trimethylpentane 80.4G1.0 336.4G4.2 Derived from DfH0 in ref. 1986PED/NAY

sec-C4H9–tert-C4H9
2,2,3,3-Tetramethylbutane 77.1G1.0 322.6G4.2 Derived from DfH0 in ref. 1986PED/NAY

tert-C4H9–tert-C4H9
2,3-Trimethylpentane 79.7G1.5 333.5G6.3 Derived from DfH0 in ref. 1986PED/NAY

iso-C3H7–C(CH3)2C2H5
Nonane 86.1G2.0 360.2G8.4 Derived from DfH0 in ref. 1986PED/NAY

nC4H9–nC5H11
2,2-Dimethylheptane 81.8G2.0 342.3G8.4 Derived from DfH0 in ref. 1994PED

nC4H9–neo-C5H11
2,2,5-Trimethylhexane 85.9G2.0 359.4G8.4 Derived from DfH0 in ref. 1994PED

iso-C4H9–neo-C5H11
2,2,3,3-Tetramethylpentane 75.3G1.5 315.1G6.3 Derived from DfH0 in ref. 1986PED/NAY

tert-C4H9–C(CH3)2C2H5
2,2,4,4-Tetramethypentane 77.9G2.2 326.0G9.2 Derived from DfH0 in ref. 1986PED/NAY

tert-C4H9–neo-C5H11
2-Methylnonane 86.8G2.0 363.2G8.4 Derived from DfH0 in ref. 1986PED/NAY

nC6H13–iso-C4H9
5-Methylnonane 87.4G2.0 365.7G8.4 Derived from DfH0 in ref. 1986PED/NAY

nC4H9–CH(CH3)(nC4H9)
Dodecane 85.0G2.0 355.6G8.4 Derived from DfH0 in ref. 1986PED/NAY

nC6H13–nC6H13
Methyl-cyclo-pentane 85.6G1.2 358.2G5.0 Derived from DfH0 in ref. 1986PED/NAY

CH3–cyclo-C5H9
Methyl-cyclo-hexane 90.1G1.8 377.0G7.5 Derived from DfH0 in ref. 1986PED/NAY

CH3–cyclo-C6H11
Ethyl-cyclo-butane 86.1G1.3 360.2G5.4 Derived from DfH0 in ref. 1986PED/NAY

C2H5–cyclo-C4H7
Ethyl-cyclo-pentane 84.0G1.3 351.5G5.4 Derived from DfH0 in ref. 1986PED/NAY

C2H5–cyclo-C5H9
Ethyl-cyclo-hexane 87.4G1.3 365.7G5.4 Derived from DfH0 in ref. 1986PED/NAY

C2H5–cyclo-C6H11
Propyl-cyclo-pentane 84.4G1.3 353.1G5.4 Derived from DfH0 in ref. 1986PED/NAY

nC3H7–cyclo-C5H9
Propyl-cyclo-hexane 87.8G2.0 367.4G8.4 Derived from DfH0 in ref. 1986PED/NAY

nC3H7–cyclo-C6H11
(continued)
BDEs (boldfaceZ
recommended data;
Butyl-cyclo-hexane 85.3G1.5 356.9G6.3 Derived from DfH0 in ref. 1986PED/NAY

nC4H9–cyclo-C6H11
Cyclo-hexaxyl-cyclo- 88.2G2.0 369.0G8.4 Derived from DfH0 in ref. 1988LIA/BAR

hexane
cyclo-C6H11–cyclo-C6H11
Adamantyl compounds
R
1 2
RZ1-Me (1) 89.2G3 373.2G12.6 (1) Derived from DfH0 (1) 2000MEL/PIM
in ref.
(2) 82.5 345.3 (2) Derived (2) 2002MIR/LEB
2-Me (1) 87.3G3 365.3G12.6
1-Et (1) 86.1G3 360.2G12.6
(2) 80.3 336.0
4.2 Chain unsaturated hydrocarbons

Table 4.2 C–C BDEs in Chain Unsaturated Hydrocarbons
BDEs (boldfaceZ
recommended data;
Acetylene 228.0G1.0 954.0G4.2 Derived from 1986PED/NAY

CHbCH DfH0 in ref.
Ethylene 174.1G1.5 728.4G6.3 Derived from 1986PED/NAY

CH2aCH2 DfH0 in ref.
Propyne 126.5G1.0 529.3G4.2 Derived from 1986PED/NAY

CH3–CbCH DfH0 in ref.
Buta-1,3-diyne 160.2G2.0 670.3G8.4 Derived from 1996NIST

HCbC–CbCH DfH0 in ref.
But-1-en-3-yne 136.8G2.5 572.4G10.5 Derived from 1996NIST

H2CaC–CbCH DfH0 in ref.
1-Butyne 124.5G1.0 520.9G4.2 Derived from 1986PED/NAY

C2H5–CbCH DfH0 in ref.
1-Butyne (1) 76.0G2 318.0G8.4 (1) VLPP (1) 1978KIN

CH3–CH2CbCH (2) 76.6G1.2 320.5G5.0 (2) Der. from (2) 1986PED/NAY
DfH0 in ref.
2-Butyne 121.8G3.2 509.6G13.4 Derived from 1986PED/NAY

CH3–CbCCH DfH0 in ref.
2-Pentyne 73.7G1.5 308.4G6.3 VLPP 1982NGU/KIN

CH3–CH2CbCCH3
2-Methy-1-butyne 73G2 305.4G8.4 VLPP 1981NGU/KIN

CH3–CH(CH3)CbCH
2-Methy-1-pentyne 76.7G1.5 320.9G6.3 VLPP 1981KIN/NGU

CH3–CH(CH3)CbCCH3
2,2-Dimethy-1-butyne 70.7G1.5 295.8G6.3 VLPP 1977KIN

CH3–C(CH3)2CbCH
2,2-Dimethy-1-pentyne 72.5G1.5 303.3G6.3 VLPP 1981KIN/NGU

CH3–C(CH3)2CbCCH3
1-Hexyne 73.2G1.5 306.3G6.3 VLPP 1981KIN

nC3H7–CH2CbCH
(continued)
Table 4.2 (continued) C–C BDEs in Chain Unsaturated Hydrocarbons
BDEs (boldfaceZ
recommended data;
2-Ethyl-1-pentyne 71.7G1.5 300.0G6.3 SPTS 1978TSA

sec-C4H9–CH2CbCH
Propene 101.9G1.5 426.3G6.3 Derived from 1986PED/NAY

CH3–CHCH2 DfH0 in ref.
1,2-Butadiene 86.0G1.4 359.8G5.9 Derived from 1986PED/NAY

CH3–CHaCCH2 DfH0 in ref.
1,3-Butadiene 116.9G1.5 489.1G6.3 Derived from 1986PED/NAY

C2H3–CHaCH2 DfH0 in ref.
1-Methylcyclopropene 81.4G5 340.6G20.9 Derived from 1986PED/NAY

CH3–cyclopro-en-1-yl DfH0 in ref.
1-Butene (1) 76.5G2.2 320.1G9.2 (1) VLPP (1) 1981NGU/KIN

CH3–CH2CHaCH2 (2) 75.9G0.9 317.6G3.8 (2) Der. from (2) 1986PED/NAY
DfH0 in ref.
1-Butene 100.0G1.0 418.4G4.2 Derived from 1986PED/NAY

C2H5–CHaCH2 DfH0 in ref.
1,3-Butadiene, 2-methyl 108.8G2 455.2G8.4 Derived from 1996NIST

CH2C(CH3)–CHCH2 DfH0 in ref.
(E)-2-Butene 101.6G2.0 425.1G8.4 Derived from 1986PED/NAY

(E)-CH3–CHaCHCH3 DfH0 in ref.
(Z)-2-Butene 102.6G2.0 429.3G8.4 Derived from 1986PED/NAY

(Z)-CH3–CHaCHCH3 DfH0 in ref.
1,2-Pentadiene 80.6G1.5 337.2G6.3 Derived from 1986PED/NAY

C2H5–CHaCaCH2 DfH0 in ref.
1,4-Pentadiene 87.2G1.2 364.8G5.0 Derived from 1986PED/NAY

C2H3–CH2CHaCH2 DfH0 in ref.
(E)-1,3-Pentadiene 117.2G2.0 490.4G8.4 Derived from 1986PED/NAY

(E)-CH2aCH–CHa DfH0 in ref.
CHCH3
(Z)-1,3-Pentadiene 118.5G2.0 495.8G8.4 Derived from 1986PED/NAY

(Z)-CH2aCH–CHa DfH0 in ref.
CHCH3
1-Pentene 74.3G1.5 310.9G6.3 Derived from 1986PED/NAY

C2H5–CH2CHaCH2 DfH0 in ref.
(E)-2-Pentene 77.6G2.2 324.7G9.2 Derived from 1986PED/NAY

(E)-CH3–CH2CHaCHCH3 DfH0 in ref.
(Z)-2-Pentene 78.6G2.2 328.9G9.2 Derived from 1986PED/NAY

(Z)-CH3–CH2CHaCHCH3 DfH0 in ref.
2-Pentene 99.8G2.0 417.6G8.4 Derived from 1986PED/NAY

C2H5–CHaCHCH3 DfH0 in ref.
2-Methyl-1-butene (1) 72.0G2 301.2G8.4 (1) Kinetics (1) 1981STE/ROW

CH3–CH2C(CH3)aCH2 (2) 74.1G1.0 310.0G4.2 (2) Der. from (2) 1986PED/NAY
DfH0 in ref.
3-Methyl-1-butene 72.3G1.5 302.5G6.3 Derived from 1986PED/NAY

CH3–CH(CH3)CHaCH2 DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
3,3-Dimethyl-1-butene (1) 68.1G1.5 284.9G6.3 (1) Derived (1) 1982MCM/GOL

CH3–C(CH3)2CHaCH2 (2) 67.5G1.5 282.4G6.3 (2) Der. from (2) 1986PED/NAY
DfH0 in ref.
2-Methyl-1-butene 92.1G2 385.3G8.4 Derived from 1996NIST

C2H5–C(CH3)aCH2 DfH0 in ref.
3-Methyl-1-butene 99.2G1.5 415.1G6.3 Derived from 1986PED/NAY

iso-C3H7–CHaCH2 DfH0 in ref.
2,3-Dimethyl-1-butene 92.0G2 384.9G8.4 Derived from 1996NIST

iso-C3H7–C(CH3)aCH2 DfH0 in ref.
1,5-Hexadiene 61.5G1.0 257.3G4.2 Derived from 1986PED/NAY

C3H5–C3H5 DfH0 in ref.
1-Hexene (1) 70.7G2 295.8G8.4 (1) SPST (1) 1976TSA(b)

nC3H7–CH2CHaCH2 (2) 75.0G1.0 313.8G4.2 (2) Der. from (2) 1986PED/NAY
DfH0 in ref.
1-Hexene 100.6G1.3 420.9G5.4 Derived from 1986PED/NAY

nC4H9–CHaCH2 DfH0 in ref.
(E)-2-Hexene 76.2G2.4 318.8G10.0 Derived from 1986PED/NAY

(E)-C2H5–CH2CHa DfH0 in ref.
CHCH3
(Z)-2-Hexene 76.6G2.4 320.5G10.0 Derived from 1986PED/NAY

(Z)-C2H5–CH2CHa DfH0 in ref.
CHCH3
2-Hexene 100.5G2.0 420.5G8.4 Derived from 1986PED/NAY

C3H7–CHaCHCH3 DfH0 in ref.
2-Methyl-1-pentene 73.2G1.0 306.3G4.2 Derived from 1986PED/NAY

C2H5–CH2C(CH3)aCH2 DfH0 in ref.

C2H5–CH(CH3)CHaCH2 DfH0 in ref.

sec-C4H9–CHaCH2 DfH0 in ref.

iso-C3H7–CH2CHaCH2 DfH0 in ref.

iso-C4H9–CHaCH2 DfH0 in ref.
(E)-4-Methyl-2-pentene 99.5G2.0 416.3G8.4 Derived from 1986PED/NAY

(E)-iso-C3H7–CHaCHCH3 DfH0 in ref.
(Z)-4-Methyl-2-pentene 100.5G2.0 420.5G8.4 Derived from 1986PED/NAY

(Z)-iso-C3H7–CHaCHCH3 DfH0 in ref.
3,3-Dimethyl-1-butene 97.7G1.3 408.8G5.4 Derived from 1986PED/NAY

tert-C4H9–CHaCH2 DfH0 in ref.
1-Heptene 74.3G1.0 310.9G4.2 Derived from 1986PED/NAY

nC4H9–CH2CHaCH2 DfH0 in ref.
1-Heptene 99.5G1.5 416.3G6.3 Derived from 1986PED/NAY

nC5H11–CHaCH2 DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
5-Methyl-1-hexene 73.2G1.5 306.3G6.3 Derived from 1986PED/NAY

iso-C4H9–CH2CHaCH2 DfH0 in ref.
5-Methyl-1-hexene 70.1G1.6 293.3G6.7 Derived from 1986PED/NAY

nC3H7–CH2C(CH3)aCH2 DfH0 in ref.
2,4-Dimethyl-1-pentene 71.6G1.5 299.6G6.3 Derived from 1986PED/NAY

iso-C3H7–CH2C(CH3)aCH2 DfH0 in ref.
4,4-Dimethyl-1-pentene 71.9G1.5 300.8G6.3 Derived from 1986PED/NAY

tert-C4H9–CH2CHaCH2 DfH0 in ref.
(E)-4,4-Dimethyl-2-pentene 96.6G2.0 404.2G8.4 Derived from 1986PED/NAY

(E)-tert-C4H9–CHaCHCH3 DfH0 in ref.
(Z)-4,4-Dimethyl-2-pentene 100.5G2.0 420.5G8.4 Derived from 1986PED/NAY

(Z)-tert-C4H9–CHaCHCH3 DfH0 in ref.
2,4,4-Trimethyl-1-pentene 68.6G2.0 287.0G8.4 Derived from 1986PED/NAY

tert-C4H9–CH2C(CH3)a DfH0 in ref.
CH2
1-Octene 73.3G1.5 306.7G6.3 Derived from 1986PED/NAY

nC5H11–CH2CHaCH2 DfH0 in ref.
Cyclo-pentene, 3-methyl 71.5G2 299.2G8.4 Derived from 1996NIST

CH3–cyclo–C5H7 DfH0 in ref.
3-Cyclo-pentylpropene 71.9G1.5 300.8G6.3 Derived from 1986PED/NAY

cyclo-pentyl–CH2CHCH2 DfH0 in ref.
Vinyl-cyclo-hexane 91.3G2.0 382.0G8.4 Derived from 1986PED/NAY

cyclo-hexayl–CHCH2 DfH0 in ref.
4.3 Aromatic hydrocarbons

Table 4.3 C–C BDEs in Aromatic Hydrocarbons
BDEs (boldfaceZ
recommended data;
Methylbenzene 102.0G1.0 426.8G4.2 Derived from 1986PED/NAY

CH3–C6H5 DfH0 in ref.
Phenylacetylene 141.2G1.4 590.8G5.9 Derived from 1996NIST

HCC–C6H5 DfH0 in ref.
Vinylbenzene 115.2G1.3 482.0G5.4 Derived from 1986PED/NAY

Ethylbenzene, substituted
CH 3
Y
YZH (1) 74.1 310.0 (1) VLPP (1) 1980BAR/STE
(2) 75.8G1 317.1 (2) Derived (2) 1982MCM/GOL
(3) 77.7G1.0 325.1G4.2 (3) Der. from (3) 1986PED/NAY
2-Me (1) 72.9 305.0 DfH0 in ref.
3-Me (1) 73.8 308.8

4-CH2aCH (4) 70.6 295.4 (4) VLPP (4) 1986ROB/STE
2,6-Me2 (1) 71.2 297.9
3,6-Me2 (1) 72.5 303.3
3,5-Me2 (1) 73.5 307.5
Ethylbenzene 100.2G1.0 419.2G4.2 Derived from 1986PED/NAY

(continued)
Table 4.3 (continued) C–C BDEs in Aromatic Hydrocarbons
BDEs (boldfaceZ
recommended data;
Cyclo-propylbenzene 109.8G1.2 459.4G5.0 Derived from 1986PED/NAY

cyclo-C3H5–C6H5 DfH0 in ref.
Prop-2-enylbenzene 89.2 373.2 Derived from 1999VER(c)

C2H3–CH2C6H5 DfH0 in ref.
Propylbenzene 76.2G1.5 318.8G6.3 Derived from 1986PED/NAY

Prop-2-enylbenzene 87.6 366.5 Derived from 1999VER(c)

C2H3CH2–C6H5 DfH0 in ref.
Propylbenzene 100.8G1.0 421.7G4.2 Derived from 1986PED/NAY

nC3H7–C6H5 DfH0 in ref.
iso-Propylbenzene (1) 73.8 308.8 (1) VLPP (1) 1981ROB/STE

CH3–CH(CH3)C6H5 (2) 74.6G1.5 312.1G6.3 (2) Re-cal. (2) 1984ROS/MCM
(3) 76.2G2.0 318.8G8.4 (3) Der. from (3) 1996NIST
DfH0 in ref.
iso-Propylbenzene 98.9G1.2 413.8G5.0 Derived from 1986PED/NAY

iso-C3H7–C6H5 DfH0 in ref.
Butylbenzene 100.6G1.0 420.9G4.2 Derived from 1986PED/NAY

nC4H9–C6H5 DfH0 in ref.
Butylbenzene 76.6G1.5 320.5G6.3 Derived from 1986PED/NAY

nC3H7–CH2C6H5 DfH0 in ref.
4-Phenyl-1-butene 61.4G2 256.9G8.4 VLPP 1979KIN/NGU

CH2aCHCH2–CH2C6H5
2-Methyl-1-phenylpropane 75.8G1.5 317.1G6.3 Derived from 1986PED/NAY

iso-C3H7–CH2C6H5 DfH0 in ref.
2-Methylpropylbenzene 100.7G1.5 421.3G6.3 Derived from 1986PED/NAY

iso-C4H9–C6H5 DfH0 in ref.
tert-Butylbenzene 95.8G1.5 400.8G6.3 Derived from 1986PED/NAY

tert-C4H9–C6H5 DfH0 in ref.
4-Phenyl-1-butyne 61.4G2 256.9G8.4 VLPP 1979KIN/NGU

C6H5CH2–CH2CbCH
2-Phenylbutane (1) 73.7G1.5 308.4G6.3 (1) VLPP (1) 1981ROB/STE

C2H5–CH(CH3)C6H5 (2) 74.6G2.0 312.1G8.4 (2) Der. from (2) 1996NIST
DfH0 in ref.
tert-Butylbenzene 72.5G2.0 303.3G8.4 Derived from 1986PED/NAY

CH3–C(CH3)2C6H5 DfH0 in ref.
((1Z)-Prop-1-enyl)benzene 70.6 295.4 VLPP 1986ROB/STE

CH3–CH2CHCHC6H5
1,1-Diphenylethane (1) 71.3 298.3 (1) VLPP (1) 1984ROS/MCM

CH3–CH(C6H5)2 (2) 75.5G1.5 315.9G6.3 (2) Der. from (2) 1999VER(d)
DfH0 in ref.
2-Methyl-1,1- 73.6G1.5 307.9G6.3 Derived from 1999VER(d)

diphenylpropane DfH0 in ref.
iso-C3H7–CH(C6H5)2
2,2-Diphenylpropane 69.5G2 290.8G8.4 VLPP 1981STE

CH3–C(CH3)(C6H5)2
(continued)
BDEs (boldfaceZ
recommended data;
Biphenyl 114.4G1.5 478.6G6.3 Derived from 1986PED/NAY

Diphenylmethane 91.7G2.0 383.7G8.4 Derived from 1986PED/NAY

Bibenzyl 65.2G2.2 272.8G9.2 Derived from 1986PED/NAY

C6H5CH2–CH2C6H5 DfH0 in ref.
Triphenylmethane 86.3G2.0 361.1G8.4 Derived from 1986PED/NAY

C6H5–CH(C6H5)2 DfH0 in ref.
Tetraphenylmethane 77.5G3 324.3G12.6 Derived from 1986PED/NAY

C6H5–C(C6H5)3 DfH0 in ref.
1,1,2,2-Tetraphenylethane 59.1G2 247.3G8.4 Derived from 1990BEC/DOG

Ph2CH–CHPh2 DfH0 in ref.
1,2,2,2-Tetraphenylethane 56.1G3.5 234.7G14.6 Derived from 1990BEC/DOG

PhCH2–CPh3 DfH0 in ref.
1-Methylindene
CH3
72.4 302.9 VLPP 1986ROB/STE
1-Methylnaphthalene 103.8G2.0 434.3G8.4 Derived from 1988LIA/BAR

CH3–naphth-1-yl DfH0 in ref.
2-Methylnaphthalene 105.3G2.0 440.6G8.4 Derived from 1986PED/NAY

CH3–naphth-2-yl DfH0 in ref.
Cyclo-hexylbenzene 98.7G2.0 413.0G8.4 Derived from 1986PED/NAY

cyclo-C6H11–C6H5 DfH0 in ref.
Ethyl-1-naphthalene 72.9G1.5 305.0G6.3 VLPP 1980MCM/TRE

CH3–1-naphthymethyl
Ethyl-9-anthracene 67.6G1.5 282.8G6.3 VLPP 1980MCM/TRE

CH3–9-anthracenyl
methyl
Ethyl-9-phenanthrene 72.9G1.5 305.0G6.3 VLPP 1980MCM/TRE

CH3–9-phenanthrenyl
methyl
Phenalenyl p-dimer
(1) 11.34G0.11 47.4G0.5 ESR (1) 2003ZHE/SAE
R–R
(2) 10 42 (2) 2005SMA/ROS
R= (3) 10.2 42.7 (3) 2006ZAI/ROS
Phenalenyl s-dimer
Phenalenyl, substituted
p-dimer R–R
R= 9.5 39.8 ESR 2004SMA/ZAI
Phenalenyl, substituted
s-dimer R–R
R=
XZH 12.6 52.7 ESR 2006ZAI/ROS

CH3 14.5 60.7
(continued)
BDEs (boldfaceZ
recommended data;
9-Phenylfluorenyl dimer
Ph
15.2 63.6 Absorption 2004FRE/ALI
R= spectra
Cyclo-hexene
74.8 313 Derived 1997DOR/PUG
Tetralin
72.9 305 SPST 1995TSA/CUI
4.4 Halogenated hydrocarbons

Table 4.4 C–C BDEs in Halogenated Hydrocarbons
BDEs (boldfaceZ
recommended data;
Difluoroethyne 167G7 700G29 Derived from DfH0 1996NIST

CFbCF in ref.
Fluoroethyne 174G4 728G17 Derived from DfH0 1996NIST

CFbCH in ref.
Tetrafluoroethylene (1) 76.3 319.2 (1) Pyrolysis (1) 1968ZMB/UY

CF2aCF2 (2) 79.1G3.8 331G16 (2) Derived (2) 1991PAU/SQU
(3) 68.7 287.4 (3) Derived from (3) 2002CRC
DfH0 in ref.
Chlorotrifluoroethele 84.7G4 354.4G16.7 Derived from DfH0 1996NIST

CF2aCFCl in ref.
Trifluoroethlene 104G3 435G13 Derived from DfH0 1996NIST

CF2aCFH in ref.
1,1-Difluoroethylene 132G3 552G13 Derived from DfH0 1996NIST

CF2aCH2 in ref.
Fluoroethlene 160G3 669G13 Derived from DfH0 1996NIST

CH2aCFH in ref.
1,2-Dichloroethyne 162G4.5 678G19 Derived from DfH0 1996NIST

CClbCCl in ref.
Chloroethyne 197.6G3.5 627G17 Derived from DfH0 1996NIST

CClbCH in ref.
Tetrachloroethylene (1) 106.3G4.9 445G21 (1) Derived (1) 1991PAU/SUQ

CCl2aCCl2 (2) 110.6 462.8 (2) Derived from (2) 1986PED/NAY
DfH0 in ref.
Trichloroethlene 136.6G3 571.4G13 Derived from DfH0 1996NIST

CCl2aCClH in ref.
1,1-Dichloroethlene 146.8G3 614.1G13 Derived from DfH0 1996NIST

CCl2aCH2 in ref.
1,2-Dichloroethlene
(E)-CHClaCHCl 155.6G2.8 651.0G11.7 Derived from DfH0 1996NIST
(Z)-CHClaCHCl 155.0G2.8 648.5G11.7 in ref.
Chloroethlene 164.3G3 687.4G13 Derived from DfH0 1996NIST

CHClaCH2 in ref.
Bromoethyne 200G15 837G63 Derived from DfH0 1996NIST

CBrbCH in ref.
(continued)
Table 4.4 (continued) C–C BDEs in Halogenated Hydrocarbons
BDEs (boldfaceZ
recommended data;
Perfluoroethane (1) 93G2 389.1G8.4 (1) Pyrolysis (1) 1965TSC

CF3–CF3 (2) 98.7G2.5 413.0G10.5 (2) Kinetics (2) 1967COO/WHI
(4) 96.4G5.2 403.3G21.8 (4) Review (4) 2001LAZ/PRO
(5) 97.8G3.0 409.2G12.5 (5) Review (5) 2005GIA
Pentafluoroethane (1) 95.5G2 399.6G8.4 (1) Derived from (1) 1975CHE/ROD

CF3–CHF2 DfH0 in ref.
(2) 97.3G2.3 407.2G9.6 (2) Combined (2) 2005YAN/HUA(b)
Chloropentafluoroethane (1) 89.3G3 373.6G12.5 (1) Derived from (1) 2002CRC

CF3–CClF2 DfH0 in ref.
(2) 88.0G3.7 368.1G15.5 (2) Review (2) 2005GIA
1,1,1,2-Tetrafluoroethane 95G2 397.5G8.4 Derived from DfH0 1975CHE/ROD

CF3–CH2F in ref.
1,1,1-Trifluoro-2,2-2- 79.4G1.3 332.2G5.4 Derived from DfH0 1975CHE/ROD

trichloroethane in ref.
CF3–CCl3
1-Bromo-1-chloro- 90.1G2 377.0G10.5 Derived from DfH0 1996NIST

2,2,2-trifluoroethane in ref.
CF3–CHBrCl
1-Bromo-2,2,2- 95.5G2 399.6G8.4 Derived from DfH0 2002CRC

trifluoroethane in ref.
CF3–CH2Br
1,1,1-Trifluoro- 97.6G2.5 408.4G10.5 Derived from DfH0 2002CRC

2-iodoethane in ref.
CF3–CH2I
1,1,1-Trifluoroethane (1) 101.2G1.1 423.4G4.6 (1) Kinetics (1) 1973ROD/FOR

CF3–CH3 (2) 102.6G1.2 429.3G5.0 (2) Derived from (2) 1996NIST
DfH0 in ref.
(3) 101.3G2.1 423.9G8.6 (3) Review (3) 2005GIA
1,1,2,2-Tetrafluoroethane (1) 91.4G3.7 382.4G15.5 (1) SPST (1) 1971MIL/HAR

CHF2–CHF2 (2) 95.7G3.7 400.3G15.5 (2) Review (2) 2005GIA
1,1,2-Trifluorochloro- 93.0G4.2 389.0G17.5 Review 2005GIA

ethane
CHF2–CHFCl
1,2-Dichlorotetrafluoro- 90.5G3 378.7G12.6 Derived from DfH0 2002CRC

ethane in ref.
CClF2–CClF2
1,1,2-Trichloro-1,2,2- 85.7G3 358.6G12.6 Derived from DfH0 1996NIST

CF2Cl–CFCl2
1,1,2-Trifluoroethane (1) 94.2G4 394.1G16.7 (1) Derived from (1) 1968LAC/SKI

CHF2–CH2F DfH0 in ref.
(2) 98.0G3.7 410.1G15.6 (2) Review (2) 2005GIA
1,2-Difluoroethane (1) 88G2 368.2G8.4 (1) Thermal (1) 1971KER/TIM

CH2F–CH2F elimination
(2) 88.1G4.0 368.7G16.7 (2) Review (2) 2005GIA
1,1-Difluoroethane 96.8G2 405.0G8.4 Derived from DfH0 2002CRC

CHF2–CH3 in ref.
Fluoroethane (1) 90.4G3 378.2G12.6 Derived from DfH0 (1) 1975CHE/ROD

CH2F–CH3 in ref.
(2) 92.8G2 388.3G8.4 (2) 2004KOR/LIE
(continued)
BDEs (boldfaceZ
recommended data;
1-Chloro-1-fluoroethane (1) 95.5G3 399.6G12.6 (1) Derived from (1) 2002CRC

CHClF–CH3 DfH0 in ref.
(2) 96.3G2.3 402.8G9.8 (2) Review (2) 2005GIA
1-Bromo-2-chloro-1,1,2- 88.3 369.4 Derived from DfH0 1996NIST

CF2Br–CHClF
1-Bromo-1,1- 94.8G3.6 396.6G15.1 Derived from DfH0 1996NIST

difluoroethane in ref.
CF2Br–CH3
Perchloroethane (1) 70.1G3.5 293.3G14.6 (1) Derived (1) 1997CIO/LIU

CCl3–CCl3 (2) 68.3G1.5 285.8G6.3 (2) Derived from (2) 2002CRC
DfH0 in ref.
1,1,1,2-Tetrachloro- 67.4G3 282.0G12.6 Derived from DfH0 2002CRC

2,2-difluoroethane in ref.
CCl3–CClF2
Pentachloroethane (1) 75.4G3.9 315.5G16.3 (1) Derived (1) 1997CIO/LIU

CCl3–CHCl2 (2) 72.5G2 303.3G6.5 (2) Derived from (2) 1996NIST
DfH0 in ref.
1,1,1,2-Tetrachloroethane (1) 77.4G2 323.8G8.4 (1) Derived from (1) 1996NIST

CCl3–CH2Cl DfH0 in ref.
(2) 82.3G3.0 344.3G12.6 (2) Derived (2) 1997CIO/LIU
1,1,1-Trichloroethane (1) 87.6G2.0 366.5G8.4 (1) Derived (1) 1997CIO/LIU

CCl3–CH3 (2) 86.6G1.5 362.3G6.3 (2) Derived from (2) 2002CRC
DfH0 in ref.
1,1,2,2-Tetrachloroethane (1) 81.8G2 342.3G8.4 (1) Derived from (1) 1996NIST

CHCl2–CHCl2 DfH0 in ref.
(3) 78.1G1.0 326.9G4.1 (3) Derived (3) 2006LAG/BAE(b)
1,1,2-Trichloroethane (1) 84.2G1.4 352.2G5.9 (1) Derived from (1) 1996NIST

CHCl2–CH2Cl DfH0 in ref.
1,1-Dichloroethane (1) 89.8G3.3 375.7G13.8 (1) Derived (1) 1997CIO/LIU

CHCl2–CH3 (2) 87.3G0.8 365.1G3.3 (2) Derived (2) 1998SEE
(3) 86.4G0.6 361.3G2.5 (3) Derived from (3) 1996NIST
DfH0 in ref.
1,1-Bromochloroethane 88.6 370.7 Derived from DfH0 1996NIST

CHBrCl–CH3 in ref.
1,2-Dibromo-1,2- 75.8G3 317.1G12.6 Derived from DfH0 1996NIST

dichloroethane in ref.
CHClBr–CHClBr
1,2-Dichloroethane (1) 87.2G3.3 364.8G13.8 (1) Derived (1) 1997CIO/LIU

CH2Cl–CH2Cl (2) 86.2G2 360.7G8.4 (2) Derived from (2) 2002CRC
DfH0 in ref.
(3) 87.1G1.3 364.6G5.3 (3) Derived (3) 2002LAG/DIO
Chloroethane 89.8G2.2 375.7G9.2 Derived 1997CIO/LIU

CH2Cl–CH3
1,1,1-Tribromoethane 85.3G3 356.9G12.6 Derived from DfH0 1996NIST

Br3C–CH3 in ref.
Hexabromoethane 66.6G4 278.7G16.7 Derived from DfH0 1996NIST

Br3C–CBr3 in ref.
1,1-Dibromoethane 89.1 372.8 Derived from DfH0 1988LIA/BAR

CHBr2–CH3 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
1-Bromo-2-chloroethane 90.4 378.2 Derived from DfH0 1988LIA/BAR

CH2Br–CH2Cl in ref.
1,2-Dibromoethane 90.8G2 379.9G8.4 Derived from DfH0 1986PED/NAY

CH2Br–CH2Br in ref.
1,2-Diiodoethane 92.5G2.5 387.0G10.5 Derived from DfH0 1994CAR/LAY

CH2I–CH2I in ref.
Bromoethane 91.2G2 381.6G8.4 Derived from DfH0 1986PED/NAY

CH3–CH2Br in ref.
Iodoethane 91.9G2 384.5G8.4 Derived from DfH0 1986PED/NAY

CH3–CH2I in ref.
Perfluoropropane (1) 101.9G2.4 426.3G10 Derived from (1) 1988NIST

CF3–CF2CF3 (2) 101.4G3 424.3G13.6 DfH0 in ref. (2) 2002CRC
3,3,3-Trifluoroprop- 123.2 515.5 Derived from DfH0 1988LIA/BAR

1-yne in ref.
CF3–CbCH
3,3,3-Trifluoropropene 107G3 447.7G12.6 Derived from DfH0 2002CRC

CF3–CHaCH2 in ref.
Perfluoropronpene (1) 85G2.5 355.6G10.5 (1) SPST (1) 1995HE

CF3–CFaCF2 (2) 100.5 420.5 (2) Derived from (2) 2000CUI/HE
DfH0 in ref.
3,3-Dichloro-1,1,1- 102.3G1.5 428.0G6.3 Derived from DfH0 1988NIST

trifluoropropane in ref.
CF3–CH2CHCl2
Fluoropropane 91.6G3 383.3G12.6 Derived from DfH0 1998SMI

CH3–CH2CH2F in ref.
Fluoropropane 101.5G3 424.7G12.6 Derived from DfH0 1998SMI

CH2F–CH2CH3 in ref.
2-Fluoropropane 93.7G2.5 392.0G10.5 Derived from DfH0 2004KOR/LIE

CH3–CHFCH3 in ref.

CH3–CH2CH2Cl

CH3–CHClCH3
1,2-Dichloropropane 85.2G2 356.5G8.4 Derived from DfH0 2002CRC

CH2Cl–CHClCH3 in ref.
1,3-Dichloropropane 88.2G2 369.0G8.4 Derived from DfH0 2002CRC

CH2Cl–CH2CClH2 in ref.
2,2-Dichlororopane 86.7G2 362.8G8.4 Derived from DfH0 2002CRC

CH3–CCl2CH3 in ref.
1,2-Dibromopropane 88.3G2 369.4G8.4 Derived from DfH0 2002CRC

CH2Br–CHBrCH3 in ref.
1,3-Dichlorobutane 87.1G2 364.4G8.4 Derived from DfH0 2002CRC

CH2ClCH2–CHClCH3 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
1,4-Dichlorobutane 88.2G2 369.0G8.4 Derived from DfH0 2002CRC

CH2ClCH2– in ref.
CH2CClH2
2,3-Dibromobutane 85.0G2 355.6G8.4 Derived from DfH0 2002CRC

CH3CHBr– in ref.
CHBrCH3
1-Bromobutane 90.3G2 377.8G8.4 Derived from DfH0 2002CRC

CH2Br–C3H7 in ref.
2-Bromobutane 87.5G2 366.1G8.4 Derived from DfH0 2002CRC

CH3CHBr–C2H5 in ref.
4-Chlorobutene 75.8G1.2 317.1G5 Derived from DfH0 1996NIST

CH2Cl–CH2CHCH2 in ref.
1-Chlorobutane 88.7G2 371.1G8.4 Derived from DfH0 2002CRC

CH2Cl–C3H7 in ref.

CH3CHCl–C2H5 in ref.
1,4-Dibromobutane 85.2G3 356.3G12.6 Derived from DfH0 1996NIST

BrCH2CH2– in ref.
CH2CH2Br
Erythro-2,3- 85.2G3 356.5G12.6 Derived from DfH0 1996NIST

dibromobutane in ref.
CH3CHBr–CHBrCH3
Threo-2,3-dibromobutane 84.9G3 355.2G12.6 Derived from DfH0 1996NIST

CH3CHBr–CHBrCH3 in ref.
2,2-Dibromobutane 83.8G2 350.6G8.4 Derived from DfH0 1996NIST

CH3CBr2–CH2CH3 in ref.

CH2Cl–iC3H7 in ref.
1-Bromopentane 90.3G2 377.8G8.4 Derived from DfH0 2002CRC

CH2Br–nC4H9 in ref.
1-Chloropentane 88.4G2 369.9G8.4 Derived from DfH0 2002CRC

CH2Cl–nC4H9 in ref.
1-Chloropentane 87.8G2 367.4G8.4 Derived from DfH0 2002CRC

CH2ClCH2–C3H7 in ref.
1,2-Dichlorobutane 81.4G3 340.6G12.6 Derived from DfH0 1996NIST

CH2ClCH2– in ref.
CHClCH2CH3
2-Chloro-3- 87.6G2 366.5G8.4 Derived from DfH0 2002CRC

methyl-butane in ref.
CH2Cl–iso-C4H9
2-Chloro-3- 86.1G2 360.2G8.4 Derived from DfH0 2002CRC

methyl-butane in ref.
CH2ClCH2–iso-C3H7
1-Bromohexane 88.8G2 371.5G8.4 Derived from DfH0 2002CRC

CH2Cl–nC5H11 in ref.
2-Chlorohexane 85.7G2 358.6G8.4 Derived from DfH0 2002CRC

CH2ClCH2–nC4H9 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
Perfluorobutane 90.9G2.6 380.3G10.8 Review 2005GIA

C2F3–C2F5
Fluorononane 90.0G3 376.6G12.6 Derived from DfH0 1997SCH/VER

CH2FCH2–nC7H13 in ref.
2,2-Difluorononane 91.2G3 381.6G12.6 Derived from DfH0 1997SCH/VER

CH3CF2–nC7H13 in ref.
(chloromethyl)benzene 102.7 429.7 Derived from DfH0 2002VER/KRA

CH2Cl–C6H5 in ref.
(bromomethyl)benzene 100.8 421.7 Derived from DfH0 2002VER/KRA

CH2Br–C6H5 in ref.
(iodomethyl)benzene 103.4 432.6 Derived from DfH0 2002VER/KRA

CH2I–C6H5 in ref.
(trifluoromethyl)- 110.7G3 463.2G12.6 Derived from DfH0 1994PED

benzene in ref.
CF3–C6H5
(trichloromethyl)- 92.9G2 388.7G8.4 Derived from DfH0 1996NIST

benzene in ref.
CCl3–C6H5
Pentafluorophenyl- 105 439.3 Derived 1975CHO/GOL

methane
CH3–C6F5
Pentafluorophenyl 104 435.1 Derived 1975CHO/GOL

trifluoromethane
CF3–C6F5
(2,2,2-trifluoroethyl)- 87.4G3 365.7G12.6 Derived from DfH0 1997SCH/VER

benzene in ref.
CF3–CH2C6H5
(3,3-difluoropropyl)- 97.8G4 409.2G16.7 Derived from DfH0 1997SCH/VER

benzene in ref.
CHF2–CH2CH2C6H5
(3,3-difluoropropyl)- 80.4G3 336.4G14.5 Derived from DfH0 1997SCH/VER

benzene in ref.
CHF2CH2–CH2C6H5
Bipentafluorophenyl 116.7 488.3 Combustion 1979PRI/SAP

C6F5–C6F5
(2,2,2-trifluoro-1-phenyl- 84.2G4 352.3G16.7 Derived from DfH0 1997SCH/VER

ethyl)benzene in ref.
CF3–CHPh2
(2,2,2-trifluoro-1,1- 69.5G4 290.8G16.7 Derived from DfH0 1997SCH/VER

diphenyl-ethyl)- in ref.
benzene
CF3–CPh3
1,1,2,3,4,4-Hexafluoro- 133.4G3 558.1G12.6 Derived from DfH0 1996NIST

1,3-butadiene in ref.
CF2CF–CFCF2
(3-fluoro-1,1-diphenyl- 65.7G4 274.9G16.7 Derived from DfH0 1997SCH/VER

propyl)benzene in ref.
CH2FCH2–CPh3
(continued)
BDEs (boldfaceZ
recommended data;
(3,3-difluoro-1,1- 63.1G4 264.0G16.7 Derived from DfH0 1997SCH/VER

diphenyl- in ref.
propyl)benzene
CHF2CH2–CPh3
4.5 Organic compounds containing heteroatoms

4.5.1 Organic compounds containing oxygen atoms
Table 4.5.1 C–C BDEs in Organic Compounds Containing Oxygen Atom(s)
BDEs (boldfaceZ
recommended data;
Ethanol 87.2G1.0 364.8G4.2 Derived from 1986PED/NAY

CH3–CH2OH DfH0 in ref.
2,2,2-Trifluoroethanol 96.9G1.5 405.4G6.3 Derived from 2002CRC

CF3–CH2OH DfH0 in ref.
3,3,3-Trifluoro-1-propanol 97.8 409.2 Derived from 1996NIST

CF3–CH2CH2OH DfH0 in ref.
Allyl alcohol 97.1G1.2 406.3G5.0 Derived from 1996NIST

C2H3–CH2OH DfH0 in ref.
1-Propanol 85.3G1.2 356.9G5.0 Derived from 1986PED/NAY

2,2,3,3-Tetrafluoro- 90.7G2 379.5G8.4 Derived from 2002CRC

1-propanol DfH0 in ref.
CHF2CF2–CH2OH
1-Butanol 85.4G0.8 357.3G3.3 Derived from 1986PED/NAY

2-Methyl-1-propanol 84.8G1.0 354.8G4.2 Derived from 1986PED/NAY

iso-C3H7–CH2OH DfH0 in ref.
3-Buten-1-ol 72.0G1.2 301.3G5.0 Derived from 2005VEL/QUI

CH2CHCH2–CH2OH DfH0 in ref.
3-Butyn-1-ol 73.0G1.2 305.3G5.0 Derived from 2005VEL/QUI

CHCCH2–CH2OH DfH0 in ref.
1-Pentanol 85.0G1.0 355.6G4.2 Derived from 1986PED/NAY

2-Methyl-1-butanol 84.3G1.0 352.7G4.2 Derived from 1986PED/NAY

sec-C4H9–CH2OH DfH0 in ref.

iso-C4H9–CH2OH DfH0 in ref.
1-Hexanol 84.4G1.3 353.1G5.4 Derived from 1986PED/NAY

nC5H11–CH2OH DfH0 in ref.
1-Heptanol 85.1G1.0 356.2G4.2 Derived from 1996NIST

nC6H13–CH2OH DfH0 in ref.
Benzyl alcohol 96.1G0.9 401.9G3.9 Derived from 2004VER/TAT

2-Propanol 87.9G1.2 367.8G5.0 Derived from 1986PED/NAY

CH3–CH(CH3)OH DfH0 in ref.
2-Butanol 86.0G1.2 359.8G5.0 Derived from 1986PED/NAY

C2H5–CH(CH3)OH DfH0 in ref.
(continued)
Table 4.5.1 (continued) C–C BDEs in Organic Compounds Containing Oxygen Atom(s)
BDEs (boldfaceZ
recommended data;

C3H7–CH(CH3)OH DfH0 in ref.

iso-C3H7–CH(CH3)OH DfH0 in ref.
tert-Butyl alcohol 83.5G1.2 349.4G5.0 Derived from 1986PED/NAY

CH3–C(CH3)2OH DfH0 in ref.

C2H5–C(CH3)2OH DfH0 in ref.

C2H5–CH(C2H5)OH DfH0 in ref.
Ethylene glycol 85.6G1.5 358.2G6.3 Derived from 2002CRC

HOH2C–CH2OH DfH0 in ref.
1,2-Propylene glycol 86.2G1.8 360.7G7.5 Derived from 2002CRC

CH3CH(OH)–CH2OH DfH0 in ref.
1,2-Propanediol 85.3G1.5 357.0G6.3 Derived from 1996NIST

HOCH2–CH(CH3)OH DfH0 in ref.
2,3-Butanediol 90.5G1.5 378.7G6.3 Derived from 1986PED/NAY

OH(CH3)CH–CH(CH3)OH DfH0 in ref.
2-Aminoethan-1-ol 80.2G2.5 335.6G10.5 Derived from 1988LIA/BAR

NH2CH2–CH2OH DfH0 in ref.
Ethyl methyl ether 86.8G1.2 363.2G5.0 Derived from 1986PED/NAY

CH3–CH2OCH3 DfH0 in ref.
Ethyl propyl ether 85.3G1.2 356.9G5.0 Derived from 1986PED/NAY

C2H5–CH2OCH3 DfH0 in ref.
1,2-Methyloxyethane (1) 81G2.5 338.9G10.5 (1) Der. from (1) 1988LIA/BAR

CH3OCH2–CH2OCH3 DfH0 in ref.
(2) 68.7 287.5 (2) UV PI (2) 2003WAN/WU
2-Ethyl furan
O 75G2 313.8G8.4 VLPP 1981STE
CH 3
6-(tert-butyl)-2-(3-(tert-butyl)-2-
hydroxyphenyl)phenyl
OH OH
83.1 347.7 EPR 2001LUC/PED
Me3C CMe3
Ketenylidene 52.8G4.6 220.9G19.3 Derived 1996ZEN/PER

C–C(O)
Ethanal 78.73G0.02 329.41G0.08 GPA, revised 1999RUS/LIT

H2CaC(O)
Acetaldehyde 84.8G0.4 354.8G1.7 Derived from 1986PED/NAY

CH3–C(O)H DfH0 in ref.
Trichloroacetaldehyde 73.9G1.2 309.2G5.0 Derived from 2002CRC

CCl3–C(O)H DfH0 in ref.
Acetyl fluoride 103.0G2.2 430.8G6.3 Derived from 1996NIST

CH3–C(O)F DfH0 in ref.
Acetyl chloride 87.9G1.5 367.8G6.3 Derived from 2002CRC

CH3–C(O)Cl DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
Trichloroacetyl chloride 69.1G1.5 289.1G6.3 Derived from 2002CRC

CCl3–C(O)Cl DfH0 in ref.
Dichloroacetyl chloride 74.7G2 312.5G8.4 Derived from 2002CRC

CHCl2–C(O)Cl DfH0 in ref.
Chloroacetyl chloride 81.3G2 340.2G8.4 Derived from 2002CRC

CClH2–C(O)Cl DfH0 in ref.
Propanoyl chloride 86.2G1.2 360.7G5.0 Derived from 1998WIN/ROW

C2H5–C(O)Cl DfH0 in ref.
Propanal 82.7G0.5 346.0G2.1 Derived from 1986PED/NAY

C2H5–C(O)H DfH0 in ref.
(Z)-2-Butenal 97.8G2.0 409.2G8.4 Derived from 1986PED/NAY

CH3CHaCH–C(O)H DfH0 in ref.
Butanal 82.7G1.0 346.0G4.2 Derived from 1986PED/NAY

2-Methylpropanal 82.5G1.2 345.2G5.0 Derived from 1986PED/NAY

iso-C3H7–C(O)H DfH0 in ref.
Pentanal 83.2G0.7 348.1G2.9 Derived from 1986PED/NAY

nC4H9–C(O)H DfH0 in ref.
Heptanal 81G2.0 338.9G8.4 Derived from 1994PED

nC6H13–C(O)H DfH0 in ref.
Benzaldehyde 97.6G1.0 408.4G4.2 Derived from 1986PED/NAY

Benzonyl chloride 99.8G1.5 417.6G6.3 Derived from 1996NIST

C6H5–C(O)Cl DfH0 in ref.
Propanal 82.0G2.4 343.1G10.0 Derived from 1986PED/NAY

CH3–CH2C(O)H DfH0 in ref.
Propanal chloride 85.5G3.3 357.7G13.8 Derived from 1998WIN/ROW

CH3–CH2C(O)Cl DfH0 in ref.
2-Propen-1-ol 97.1G2 406.1G8.4 Derived from 1996NIST

C2H3–CH2C(O)H DfH0 in ref.
Butanal 79.8G2.5 333.9G10.5 Derived from 1986PED/NAY

Pentanal 80.9G2.5 338.5G10.5 Derived from 1986PED/NAY

Heptanal 78.5G3.0 328.4G12.6 Derived from 1986PED/NAY

3-Phenylpropanone 69.2G1.5 289.5G6.3 Derived from 1988LIA/BAR

C6H5CH2–CH2C(O)H DfH0 in ref.
Dimethyl ketone 84.1G0.5 351.9G2.1 Derived from 1986PED/NAY

CH3–C(O)CH3 DfH0 in ref.
Bromoacetone 85.9G1.5 359.4G6.3 Derived from 2002CRC

CH2Br–C(O)CH3 DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
Chloroacetone 83.5G2.5 349.4G10.5 Derived from 1986PED/NAY

CH2I–C(O)CH3 DfH0 in ref.
Ethyl methyl ketone 84.6G0.8 354.1G3.5 Derived 2005KER/FOG

CH3–C(O)C2H5
Ethyl methyl ketone 83.0G0.7 347.3G2.9 Derived from 1986PED/NAY

C2H5–C(O)CH3 DfH0 in ref.
Methyl vinyl ketone 81.8G3 342.3G12.6 Derived from 1996NIST

CH3–C(O)C2H3 DfH0 in ref.
Methyl vinyl ketone 96.6G3 404.2G12.6 Derived from 1996NIST

Diethyl ketone 81.4G0.8 340.7G3.5 Derived 2005KER/FOG

C2H5–C(O)C2H5
Methyl propyl ketone 83.3G0.7 348.5G2.9 Derived from 1986PED/NAY

Ethyl propyl ketone 82.3G1.3 344.3G5.4 Derived from 1994PED

C3H7–C(O)C2H5 DfH0 in ref.
iso-Propyl methyl ketone 81.3G0.9 340.2G3.8 Derived from 1986PED/NAY

iso-C3H7–C(O)CH3 DfH0 in ref.
iso-Propyl ethyl ketone 81.6G1.5 341.4G6.3 Derived from 1994PED

iso-C3H7–C(O)C2H5 DfH0 in ref.
Butyl methyl ketone 82.9G1.3 346.9G5.4 Derived from 1986PED/NAY

nC4H7–C(O)CH3 DfH0 in ref.
tert-Butyl methyl ketone 78.7G1.0 329.3G4.2 Derived from 1986PED/NAY

tert-C4H9–C(O)CH3 DfH0 in ref.
Phenyl methyl ketone 97.2G1.1 406.7G4.6 Derived from 1996NIST

tert-Butyl ethyl ketone 78.8G1.0 329.7G4.2 Derived from 1994PED

tert-C4H9–C(O)C2H5 DfH0 in ref.
Benzyl methyl ketone 71.4G2 299.7G8.4 Derived from 1994PED

C6H5CH2–C(O)CH3 DfH0 in ref.
Benzyl phenyl ketone 72.5G3 303.3G12.6 Derived from 1986PED/NAY

C6H5CH2–C(O)C6H5 DfH0 in ref.
Ethyl methyl ketone 86.5G3 361.9G12.6 Derived from 1986PED/NAY

CH3–CH2C(O)CH3 DfH0 in ref.
Butyl methyl ketone 82.4G1.5 344.8G6.3 Derived from 2002CRC

C3H7–CH2C(O)CH3 DfH0 in ref.
Methyl phenyl ketone 85.0 355.6 Photolysis 1997ZHA/CHE

CH3–C(O)C6H5
Trifluoromethyl phenyl 73.8G2 308.8G8.4 VLPP 1977COL/ZAB

ketone
CF3–C(O)C6H5
Ethyl phenyl ketone 82.2G2.8 343.9G11.7 Derived from 1986PED/NAY

(continued)
BDEs (boldfaceZ
recommended data;
Diphenyl ketone 94.7G4 396.2G16.7 Derived from 1988LIA/BAR

Benzyl phenyl ketone 72.5G3.5 303.3G14.6 Derived from 1986PED/NAY

PhCH2–C(O)Ph DfH0 in ref.
Bibenzyl ketone 65.4 273.6 Review 1982MCM/GOL

PhCH2–C(O)CH2Ph
Ethane-1,2-dial 70.7G1.5 295.8G6.3 Derived from 1996NIST

HC(O)–C(O)H DfH0 in ref.
Oxalyl chloride 69.9G2 292.5G8.4 Derived from 1996NIST

ClC(O)–C(O)Cl DfH0 in ref.
1,2-Propanedione 72.3G2 302.5G8.4 Derived from 2002CRC

CH3C(O)–C(O)H DfH0 in ref.
Biacetyl 73.4G1 307.1G4.2 Derived from 1986PED/NAY

CH3C(O)–C(O)CH3 DfH0 in ref.
Pentane-2,3-dione 72.2G1.1 302.2G4.5 Derived 2005KER/FOG

C2H5C(O)–C(O)CH3
Bibenzoyl 68.9G4 288.3G16.7 Review 1982MCM/GOL

C6H5C(O)–C(O)C6H5
2,4-Pentanedione 80.8G2 338.1G8.4 Derived from 1994PED

CH3C(O)–CH2C(O)CH3 DfH0 in ref.
Acetic acid 92.0G2 384.9G8.4 Derived from 1986PED/NAY

CH3–C(O)OH DfH0 in ref.
Trifluoroacetic acid 88.6G2 370.7G8.4 Derived from 2002CRC

CF3–C(O)OH DfH0 in ref.
Trichloroacetic acid 74.2G3 310.5G12.6 Derived from 1996NIST

CCl3–C(O)OH DfH0 in ref.
Chloroacetic acid 85.5G2 357.7G8.4 Derived from 2002CRC

CClH2–C(O)OH DfH0 in ref.
Bromoacetic acid 85.6G2 358.2G8.4 Derived from 2001DOR/NOV

CH2Br–C(O)OH DfH0 in ref.
Glycine 83.5G2 349.4G8.4 Derived from 2002CRC

NH2CH2–C(O)OH DfH0 in ref.
N-methylglycine 71.8G2 300.4G8.4 Derived from 2002CRC

CH3NHCH2–C(O)OH DfH0 in ref.
Propenoic acid (1) 104.1G2 435.6G8.4 (1) Der. from (1) 1996NIST
C2H3–C(O)OH DfH0 in ref.
(2) w100 w418 (2) PD (2) 1997KIT/FOR
Propanoic acid 90.8G1.5 379.9G6.3 Derived from 1986PED/NAY

2-Chloropropanoinc acid 85.5G2 357.7G8.4 Derived from 2002CRC

CH3CHCl–C(O)OH DfH0 in ref.
Butanoic acid 91.0G1.5 380.7G6.3 Derived from 1986PED/NAY

(continued)
BDEs (boldfaceZ
recommended data;
Pentanoic acid 89.7G1.5 375.3G6.3 Derived from 1994PED

3-Methylbutanoic acid 91.6G3 383.3G12.6 Derived from 1986PED/NAY

sec-C4H9–C(O)OH DfH0 in ref.
2,2-Dimethylpropanoic acid 82.5G4 345.2G16.7 Derived from 1986PED/NAY

tert-C4H9–C(O)OH DfH0 in ref.
Hexanoic acid 88.8G1.5 371.5G6.3 Derived from 1994PED

Heptanoic acid 89.7G1.5 375.3G6.3 Derived from 1994PED

Benzoic acid 102.7G2 429.7G8.4 Derived from 1994PED

Ph–C(O)OH DfH0 in ref.
Pentafluoro-benznic acid 97.1G2.5 406.1G10.5 Derived from 1996NIST

C6F5–C(O)OH DfH0 in ref.
2-Phenylacetic acid 67 280.3 Review 1970ONE/BEN

PhCH2–C(O)OH
Diphenylacetic acid 59.4G3 248.5G12.6 Review 1970ONE/BEN

Ph2CH–C(O)OH
Naphthlene-1-carboxylic 102.8G2.0 430.1G8.4 Derived from 1986PED/NAY

acid DfH0 in ref.
C10H7–1-C(O)OH
Naphthlene-2-carboxylic 104.8G2.0 438.5G8.4 Derived from 1986PED/NAY

acid DfH0 in ref.
C10H7–2-C(O)OH
Glycolic acid 88.8G1.3 371.5G5.4 Derived from 2001DOR/NOV

HOCH2–C(O)OH DfH0 in ref.
Oxalic acid 80.0G1.5 334.7G6.3 Derived from 1994PED

HOC(O)–C(O)OH DfH0 in ref.
Sarcosine 72.0G4 301.2G16.7 Derived from 1988LIA/BAR

CH3NHCH2–C(O)OH DfH0 in ref.
L-alanine 79.2G4 331.4G16.7 Derived from 1988LIA/BAR

CH3CH(NH2)–C(O)OH DfH0 in ref.
Acetic acid methyl ester 92.6G3 387.4G12.5 Derived from 1986PED/NAY

CH3–C(O)OCH3 DfH0 in ref.
Methyl-2,2,2- 85.5G2.5 357.7G10.5 Derived from 1996NIST

trifluoroacetate DfH0 in ref.
CF3–C(O)OCH3
Chloroacetic acid methyl 90.6G3.2 379.1G13.4 Derived from 1996NIST

ester DfH0 in ref.
CH2Cl–C(O)OCH3
Methyl acrylate 106.2G2.5 444.3G10.5 Derived from 2002CRC

C2H3–C(O)OCH3 DfH0 in ref.
Pentafluoropropanoic acid 87.5G2.5 366.0G10.5 Derived from 1996NIST

methyl ester DfH0 in ref.
C2F5–C(O)OCH3
(continued)
BDEs (boldfaceZ
recommended data;
1-Chloro-ropropanoic acid 87.8G3 367.4G12.6 Derived from 1996NIST

methyl ester DfH0 in ref.
CH2ClCH2–C(O)OCH3
Methyl benzoate (1) 102.8G3 430.1G12.6 Derived from (1) 1986PED/NAY

Ph–C(O)OCH3 (2) 104.4G2.5 436.8G10.5 DfH0 in ref. (2) 2002ROU/TEM
Methyl-2-phenyl- 77.1G2.0 322.6G8.4 Derived from 1999VER(b)

propionate DfH0 in ref.
C6H5CH(CH3)–C(O)OCH3
Methyl 2-hydroxyacetate 88.5G2.5 370.3G10.5 Derived from 1996NIST

HOCH2–C(O)OCH3 DfH0 in ref.
Dimethyl oxalate 88.4G2.5 369.9G10.5 Derived from 2002CRC

CH3OC(O)–C(O)OCH3 DfH0 in ref.
Propanoic acid 84.5G3 353.5G12.6 Derived from 2002CRC

CH3–CH2C(O)OH DfH0 in ref.
Butanoic acid 82.6G3 345.6G12.6 Derived from 1986PED/NAY

C2H5–CH2C(O)OH DfH0 in ref.
b-alanine 77.8G4 325.5G16.7 Derived from 1988LIA/BAR

NH2CH2–CH2C(O)OH DfH0 in ref.
Butanedioic acid 81.9G1.0 342.7G4.3 Derived 2002LAG/DIO

HO(O)CH2–CH2C(O)OH
Methyl ketene 93.3G1.5 390.4G6.3 Derived from 2000TRA

CH3–CHaCaO DfH0 in ref.
Diketene 129.9G2 543.5G8.4 Derived from 2002CRC

OaCaCH–CHaCaO DfH0 in ref.
2,3-Dimethylbutanedioic 66.7G1.6 279.1G6.7 Derived 2002LAG/DIO

acid, R–R, R is
CH(CH3)C(O)OH
2-Chlorooxirane
O 89.8G2.5 375.7G10.5 Derived from 1986PED/NAY
CH 2Cl
DfH0 in ref.
2-Methyoxirane
O 93.5G2.5 391.2G10.5 Derived from 1986PED/NAY
CH3
DfH8 in ref.
Proline
NH C(O)OH 74.6G2.5 312.1G10.5 Derived from 1988LIA/BAR
DfH0 in ref.
Radical dimer
Ph
R= O
23.6 98.7 Absorption 2004FRE/ALI
O spectra
O 22.8 95.4
4.5.2 Organic compounds containing nitrogen atoms

Table 4.5.2 C–C BDEs in Organic Compounds Containing Nitrogen Atom(s)
BDEs (boldfaceZ
recommended data;
Cyanogen 136.7G1.6 572.0G6.7 Derived from 1986PED/NAY

CN–CN DfH0 in ref.
(continued)
Table 4.5.2 (continued) C–C BDEs in Organic Compounds Containing Nitrogen Atom(s)
BDEs (boldfaceZ
recommended data;
Formyl cyanide 108.8G2 455.2G8.4 Derived from 1996BOR/ING

HC(O)–CN DfH0 in ref.
Thioformyl cyanide 126.7G2 530.1G8.4 Derived from 1996BOR/ING

HC(S)–CN DfH0 in ref.
Trifluoroacetonitrile (1) 112.1G1.0 469.0G4.2 (1) Der. from (1) 1996NIST

CF3–CN DfH0 in ref.
Acetonitrile 124.7G2.2 521.7G9.2 Derived from 1986PED/NAY

CH3–CN DfH0 in ref.
Propiolonitrile (1) 143.9 (1) 602.1 (1) Photolysis (1) 1973OKA/DIB

CHbC–CN (2) 155.5G2.5 (2) 650.6G10.5 (2) Der. from (2) 1996NIST
DfH0 in ref.
2-Butynedinitrile 110.5 462.3 Derived from 1996NIST

NCC–CN DfH0 in ref.
2-Propenenitrile 133.4G1.8 558.1G7.5 Derived from 1986PED/NAY

CH2CH–CN DfH0 in ref.
Propanenitrile 121.1G1.8 506.7G7.5 Derived from 1986PED/NAY

C2H5–CN DfH0 in ref.
2-Butenenitrile 131.0 548 Photoinozation 2000LI/KOV

CH3CHCH–CN
3-Butenenitrile 108.1G2 452.3G8.4 Derived from 1996NIST

CH2CHCH2–CN DfH0 in ref.
2-Butenenitrile 135.2G2 565.7G8.4 Derived from 1996NIST

CH3CHCH–CN DfH0 in ref.
Butanenitrile 120.8G2.0 505.4G8.4 Derived from 1986PED/NAY

2-Methylpropanenitrile 120.4G2.0 503.8G8.4 Derived from 1986PED/NAY

iso-C3H7–CN DfH0 in ref.
Pentanenitrile 121.1G2.0 506.7G8.4 Derived from 1986PED/NAY

nC4H9–CN DfH0 in ref.
2,2-Dimethylpropanenitrile 117.2G2.0 490.4G8.4 Derived from 1986PED/NAY

tert-C4H9–CN DfH0 in ref.
Cyclo-butanecarbonitrile 122.2G2.0 511.3G8.4 Derived from 1986PED/NAY

cyclo-C4H7–CN DfH0 in ref.
Cyclo-pentanecarbonitrile 120.0G2.0 502.1G8.4 Derived from 1986PED/NAY

Cyclo-hexanecarbonitrile 121.9G2.0 510.0G8.4 Derived from 1986PED/NAY

Benzonitrile 132.3G2.0 553.5G8.4 Derived from 1986PED/NAY

Heptanenitrile 120.4G2.0 503.8G8.4 Derived from 1986PED/NAY

nC6H13–CN DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
Benzylcyanide 107.4G2 449.4G8.4 Derived from 2000VER

C6H5CH2–CN DfH0 in ref.
a-Methyl-benzylcyanide 106.2G2.3 444.3G9.6 Derived from 2000VER

C6H5CH(CH3)–CN DfH0 in ref.
a,a-Dimethyl- 102.8G2 430.1G8.4 Derived from 2000VER

benzylcyanide DfH0 in ref.
C6H5C(CH3)2–CN
Propanenitrile 83.2G3 348.1G12.6 Derived from 1986PED/NAY

CH3–CH2CN DfH0 in ref.
Butanenitrile (1) 76.9G1.7 321.7G7.1 (1) VLPP (1) 1975KIN/GOD

C2H5–CH2CN (2) 80.8G2 338.1G8.4 (2) Der. from (2) 1986PED/NAY
DfH0 in ref.
3-Butenenitrile 110.4G2 461.9G8.4 Derived from 2002CRC

C2H3–CH2CN DfH0 in ref.
Pentanenitrile 81.7G3 341.8G12.6 Derived from 1986PED/NAY

nC3H7–CH2CN DfH0 in ref.
2-Methylbutanenitrile 73G2 305.4G8.4 VLPP 1975KIN/GOD

iso-C3H7–CH2CN
Heptanenitrile 80.8G3 338.1G12.6 Derived from 1986PED/NAY

Octanenitrile 80.5G3 336.8G12.6 Derived from 1986PED/NAY

Benzylcyanide 92.4G2 386.6G8.4 Derived from 2000VER

C6H5–CH2CN DfH0 in ref.
2-Methylpropanenitrile (1) 78.8G2 329.7G8.4 (1) VLPP (1) 1975KIN/GOD

CH3–CH(CH3)CN (2) 79.5G2 332.6G8.4 (2) Der. from (2) 1986PED/NAY
DfH0 in ref.
a-methyl-benzylcyanide 92.7G2 387.7G8.4 Derived from 2000VER

C6H5–CH(CH3)CN DfH0 in ref.
2,2-Dimethyl (1) 74.7G1.6 312.5G6.7 (1) VLPP (1) 1976KIN/GOD

propanenitrile (2) 81.4G4 340.6G16.7 (2) Der. from (2) 1996NIST
CH3–C(CH3)2CN DfH0 in ref.
a,a–Dimethyl- 90.6G4 379.1G16.7 Derived from 2000VER

benzylcyanide DfH0 in ref.
C6H5–C(CH3)2CN
Propanedinitrile 101.9G3 426.3G12.6 Derived from 1986PED/NAY

(CN)CH2–CN DfH0 in ref.
Butanedinitrile 70.7G4 295.8G16.7 Derived from 1986PED/NAY

(CN)CH2–CH2CN DfH0 in ref.
Tetramethylbutanedinitrile 61.2G3 256.1G12.6 Derived from 1986PED/NAY

(CN)C(CH3)2–C(CH3)2CN DfH0 in ref.
2-Methy-2-phenyl- 59.9 250.6 Pyrolysis 1982MEO

propanenitrile
CH3–C(CH3)(CN)C6H5
(continued)
BDEs (boldfaceZ
recommended data;
2-Butynedinitrile 138.5 580 Derived from 1996NIST

NCCbCCN DfH0 in ref.
Diphenyl-CN-methyl dimer
CN 26.2 109.6 Adsorption 2004FRE/ALI
R= spectra
Ph Ph
Pyridine, substituted
HO(O)C-pyridyl
3 2
4 1N
R 5 6
RZ2-Me (1) 97.9G2 409.6G8.4 (1) Der. from (1) 1986PED/NAY
3-Me (1) 103.2G2 431.8G8.4 DfH0 in ref.
4-Me (1) 103.7G2 433.9G8.4
2-CH2Ph (2) 86.7 362.8 (2) VLPP (2) 1984ROS/MCM
2-Et (3) 95.9G3 401.2G12.6 (3) Der. from (3) 2005SIL/MIR
DfH0 in ref.
HO(O)C-pyridyl
3 2
4 1N
R 5 6
At 2 site 110.8G2.5 463.6G10.5 Derived from 2000SIL/MAT
DfH0 in ref.
3 site 114.8G2.5 480.3G10.5
4 site 115.0G2.5 481.2G10.5
Pyridines, substituted
N X
2
3
4
XaCN 125.1G3.5 523.4G14.6 Derived from 2000SIL/MIR

DfH0 in ref.
C(O)OH 98.1G3.5 410.5G14.6
C(O)NH2 98.1G3.5 410.5G14.6
2-Ethylpyridine 75.5G2.9 315.9G12.1 VLPP 1981BAR/STE

CH3–2-pyridylmethyl


HO(O)C-pyridyl
3 2
4 1N
R 5 6
At 2 site (1) 92.1G2.5 385.3G10.5 Derived from (1) 2005MAT/MOR

DfH0 in ref.
3 site (1) 93.9G3.5 392.9G14.6
(2) 99.9 418 (2) 1996NIST
4 site (1) 97.1G2.5 406.1G10.5
Pyrazines, substituted
N
N X
XZC2H5 91.1G3 381.2G12.6 Derived from 2005SIL/MIR
DfH0 in ref.
CN 117.5G3.5 491.6G14.6
C(O)OH 91.4G3.5 382.4G14.6
C(O)NH2 92.2G3.5 385.8G14.6
2-Methylpiperidine
NH CH3 83.9G3 351.0G12.6 Derived from 1986PED/NAY
DfH0 in ref.
Ethylamine (1) 82.7G2.3 346.0G9.6 (1) Der. from (1) 1986PED/NAY

CH3–CH2NH2 DfH0 in ref.
(2) 82.2 344.1 (2) Derived (2) 2003MIR/KON
(continued)
BDEs (boldfaceZ
recommended data;
Propylamine 81.5G2.3 341.0G9.6 Derived from 1986PED/NAY

C2H5–CH2NH2 DfH0 in ref.
Phenylmethylamine 94.2G2.5 394.1G10.5 Derived from 1986PED/NAY

C6H5–CH2NH2 DfH0 in ref.
Benzyl dimethylamine 92.7G2.5 387.9G10.5 Derived from 1999VER

C6H5–CH2N(CH3)2 DfH0 in ref.
Benzyl methylamine 68.0G2 284.5G8.4 Pyrolysis 1977COL/BEN

C6H5CH2–CH2NH2
2-Propylamine 83.1G2.3 347.7G9.6 Derived from 1986PED/NAY

CH3–CH(CH3)NH2 DfH0 in ref.
2-Methylpropylamine 73.4G2.5 307.1G10.5 Derived from 1986PED/NAY

CH3–C(CH3)2NH2 DfH0 in ref.
1,2-Ethanediamine (1) 68.4G3 286.2G12.6 (1) Der. from (1) 1986PED/NAY

NH2CH2–CH2NH2 DfH0 in ref.
(2) 76.2 319.0 (2) Derived (2) 2003MIR/KON
1,2-Propanediamine 75.8G3 317.1G12.6 Derived from 1986PED/NAY

NH2CH2–CH(CH3)NH2 DfH0 in ref.
2-Methyl-1,2- 74.6G3 312.1G12.6 Derived from 1986PED/NAY

propanediamine DfH0 in ref.
NH2CH2–C(CH3)2NH2
2-(2-pyridyl)pyridine 103.9G3 434.7G12.6 Derived from 1988LIA/BAR

NC5H4–C5H4N DfH0 in ref.
Nitro[2-(nitroamino) 50.5 211.3 Derived 2003MIR/KON

ethyl]amine
O2NCH2–CH2NO2
Methoxyacetonitrile 113.5 474.9 Derived from 1996NIST

CH3OCH2–CN DfH0 in ref.
Oxopropanedinitrile 96.0G2.5 401.7G10.5 Derived from 2001DOR/NOV

NCC(O)–CN DfH0 in ref.
Nitroethane (1) 94.7 369.2 (1) Derived (1) 2000MAT/LEB

CH3–CH2NO2 (2) 87.1 364.4 (2) Der. from (2) 2002CRC
DfH0 in ref.
1-(dimethylamino)-2- 73.8 308.8 Derived from 1996NIST

propanone DfH0 in ref.
(CH3)2NCH2–C(O)CH3
Methyl ester nitrous acid 83.1G2.5 347.7G10.5 Derived from 1996NIST

H2NCH2–C(O)OH DfH0 in ref.
Alanine 79.3G3 331.8G12.6 Derived from 1996NIST

H2NC(CH3)H–C(O)OH DfH0 in ref.
Acetamide 88.5G1.5 370.3G6.3 Derived from 1996NIST

CH3–C(O)NH2 DfH0 in ref.
Propanamide 86.7G1.5 362.8G6.3 Derived from 1996NIST

C2H5–C(O)NH2 DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
Benzamide 99.5G3 416.3G12.6 Derived from 1996NIST

C6H5–C(O)NH2 DfH0 in ref.
1-Nitropropane 90.7 379.5 Derived 2000MIR/VOR(b)

C2H5–CH2NO2
1-Nitrobutane 90.8 379.9 Derived 2000MIR/VOR(b)

C3H7–CH2NO2
1-Nitropentane 89.5 374.5 Derived 2000MIR/VOR(b)

C4H9–CH2NO2
2-Nitropropane 90.0 376.6 Derived 2000MIR/VOR(b)

CH3–CH(NO2)CH3
2-Nitrobutane 90.3 377.8 Derived 2000MIR/VOR(b)

CH3–CH(NO2)C2H5
1,2-Dinitroethane 93.8 392.5 Derived 2000MAT/LEB

NO2CH2–CH2NO2
1,1-Dinitroethane 99.3 415.5 Derived 2000MAT/LEB

CH3–CH(NO2)2

C2H5–CH(NO2)2

CH3–C(NO2)2CH3

C3H7–CH(NO2)2

C4H9–CH(NO2)2
1,1,1-Trinitroethane 98.3 411.3 Derived 2002MAT/LEB(a)

H3C–C(NO2)3
1,1,1-Trinitropropane 93.9 392.9 Derived 2000MIR/VOR(b)

H2C5–C(NO2)3
1,1,1-Trinitrobutane 94.5 395.4 Derived 2000MIR/VOR(b)

H3C7–C(NO2)3
1,1,1-Trinitropentane 93.5 391.2 Derived 2000MIR/VOR(b)

H4C9–C(NO2)3
2,3-Dimethyl-2,3- 72.7 304.2 Derived 2000MIR/VOR(b)

dinitrobutane
(CH3)2C(NO2)–
C(NO2)(CH3)2
2,2,3,3-Tetranitrobutane 74.9 313.4 Derived 2000MIR/VOR(b)

CH3C(NO2)2–C(NO2)2CH3
Pentanitropropane 72.6 303.8 Derived 2000MIR/VOR(b)

CH3–C(NO2)C(NO2)3
Hexanitrothane 73.8 308.8 Derived 2000MAT/LEB

(NO2)3C–C(NO2)3
Trinitromethancyanide 101.6 425.1 Derived 2002MAT/LEB(a)

NC–C(NO2)3
(continued)
BDEs (boldfaceZ
recommended data;
Nitro(2-(nitrooxy)ethyl)oxy 91.0 380.7 Derived 2002MAT/LEB(a)

O2NOH2C–CH2ONO2
Nitro(2-(nitrooxy) 68.2 285.3 Derived 2002MAT/LEB(a)

ethyl)amine
O2NNHH2C–
CH2NHNO2
Nitrozoamines
(NO2)3C– 74.0 309.6 Derived 2001MIR/KOS
CH2N(NO2)CH2C(NO2)3
(NO2)2CH–CH2N(NO2) 79.5 332.6
CH2CH(NO2)2
(NO2)3CCH2–CH2N(NO2) 70.5 295.0
CH2C(NO2)3
(NO2)3C–H2CH2N(NO2) 87.3 365.3
CH2C(NO2)3
(NO2)3CCH2N(NO2) 56.3 235.6
CH2–CH2N(NO2)
CH2C(NO2)3
(NO2)3C–CH2N(NO2) 74.5 311.7
CH2CH2N(NO2)
CH2C(NO2)3
(NO2)2CHCH2N(NO2) 61.6 257.7
CH2–CH2N(NO2)
CH2CH(NO2)2
(NO2)2CH–CH2N(NO2) 79.8 333.9
CH2-CH2N(NO2)
CH2CH(NO2)2
(NO2)3C– 73.8 308.8
CH2N(NO)CH2C(NO2)3
(NO2)3CCH2N(NO)CH2– 53.2 222.6
CH2N(NO)CH2C(NO2)3
(NO2)3C–CH2N(NO) 74.5 311.7
CH2CH2-N(NO)
CH2C(NO2)3
Nitrofluoroethanes
F(NO2)2–C(NO2)3 63.9 267.3 Derived 1994NAZ/MAN
F(NO2)2–C(NO2)2F 58.4 244.3
Coenzyme B12, substituted

H
O O
CH2C6H5
N II I + N 25G3 104.6G12.6 Photolysis 1991DAI/FIN(b)
Co
N N
I
4.5.3 Organic compounds containing sulfur atoms

Table 4.5.3 C–C BDEs in Organic Compounds Containing Sulfur Atom(s)
BDEs (boldfaceZ
recommended data;
Ethylthiol 82.5G2.2 345.2G9.2 Derived from 1986PED/NAY

CH3–CH2SH DfH0 in ref.
1-Propanethiol 80.9G2.4 338.5G10.0 Derived from 1986PED/NAY

C2H5–CH2SH DfH0 in ref.
1-Butanethiol 81.1G2.5 339.3G10.5 Derived from 1986PED/NAY

2-Methyl-1-propanethiol 80.6G2.5 337.2G10.5 Derived from 1986PED/NAY

iso-C3H7–CH2SH DfH0 in ref.
1-Pentanethiol 81.2G2.5 339.7G10.5 Derived from 1986PED/NAY

nC4H9–CH2SH DfH0 in ref.
2-Methyl-1-butanethiol 80.0G2.5 334.7G10.5 Derived from 1986PED/NAY

sec-C4H9–CH2SH DfH0 in ref.
(continued)
Table 4.5.3 (continued) C–C BDEs in Organic Compounds Containing Sulfur Atom(s)
BDEs (boldfaceZ
recommended data;
3-Methyl-1-butanethiol 80.5G2.5 336.8G10.5 Derived from 1986PED/NAY

iso-C4H9–CH2SH DfH0 in ref.
2,2-Dimethyl-1-propanethiol 78.7G2.5 329.3G10.5 Derived from 1986PED/NAY

tert-C4H9–CH2SH DfH0 in ref.
1-Hexanethiol 80.3G2.5 336.0G10.5 Derived from 1986PED/NAY

1-Heptanethiol 80.2G2.5 335.6G10.5 Derived from 1986PED/NAY

Phenylmethane-1-thiol 93.2G2.5 389.9G10.5 Derived from 1986PED/NAY

1,2-Ethanethiol 74.9G2.8 313.4G11.7 Derived from 1986PED/NAY

HSCH2–CH2SH DfH0 in ref.
Ethyl methyl sulphide 82.0G2.0 343.1G8.4 Derived from 1986PED/NAY

CH3–CH2SCH3 DfH0 in ref.
Methyl propyl sulphide 80.8G2.0 338.1G8.4 Derived from 1986PED/NAY

C2H5–CH2SCH3 DfH0 in ref.
Ethyl phenyl sulphide 80.9G2.0 338.5G8.4 Derived from 1986PED/NAY

CH3–CH2SC6H5 DfH0 in ref.
Dibenzyl sulphide 97.1G2.0 406.3G8.4 Derived from 1986PED/NAY

C6H5–CH2SC6H5 DfH0 in ref.
4.6 C–C BDEs in radicals

Table 4.6 C–C BDEs in Radicals
BDEs (boldfaceZ
recommended data;
C–C (1) 142.36 595.63 (1) Derived from (1) 1998CHA

DfH0 in ref.
(2) 147.8G3.7 618.3G15.4 (2) Spectroscopy (2) 2000LU/TOS
C–Cx
xZ2 (1) 175.5 734 (1) Derived from (1) 1998CHA
DfH0 in ref.
(2) 167.9 703 (2) Derived from (2) 1994GIN/FIN
3 (1) 135.3 566 DfH0 in ref.
(2) 118.5 496
(3) 108.6G3.5 454.4G14.5 (3) PD (3) 2000CHO/BIS
4 (1) 169.3 708
(2) 164.4 688
5 (2) 116.1 486
6 (2) 168.2 704
CC–C 143.9G4.6 601.9G19.3 GIB MS 1999LU/TOS

(also see Chapter 24)
CK–C 188.7G0.2 789.6G1.0 Derived from EA 1996NIST

(also see Chapter 24) in ref.
C2–C2 (1) 139.1 582 Derived from (1) 1994GIN/FIN

DfH0 in ref.
(2) 168.4 705 (2) 1998CHA
C2–C3 (1) 135.5 567 (1) Derived from (1) 1994GIN/FIN

DfH0 in ref.
(2) 162.2 679 (2) Derived from (2) 1998CHA
DfH0 in ref.
(3) 137.4G3.5 575.0G14.5 (3) PD (3) 2000CHO/BIS
(continued)
Table 4.6 (continued) C–C BDEs in Radicals
BDEs (boldfaceZ
recommended data;
C2–C4 133.1 557 Derived from 1994GIN/FIN

DfH0 in ref.
C3–C3 (1) 83.7 350 (1) Derived from (1) 1994GIN/FIN

DfH0 in ref.
(2) 76.6G4.6 320.3G19.3 (2) PD (2) 2000CHO/BIS
C3–C4 133.4 558 Derived from 1994GIN/FIN

DfH0 in ref.
C(C)x–C2
xZ39 (1) 214.9G6.7 899.2G28.0 (1) KER (1) 2004GLU/LEU
(2) 198.3G3.5 829.8G14.5 (2) MF (2) 2005CON/GLU
41 (1) 216.1G5.8 904.0G24.1
(2) 202.9G3.5 849.1G14.5
43 (1) 212.4G6.2 888.6G26.1
(2) 198.3G3.5 829.8G14.5
45 (1) 220.2G5.3 921.4G22.2
(2) 205.2G3.5 858.7G14.5
47 (1) 227.1G6.2 950.4G26.1
(2) 209.8G3.5 878.0G14.5
49 (1) 205.5G6.5 859.7G27.0
(2) 204.1G3.5 853.9G14.5
51 (1) 223.0G7.4 933.0G30.9
(2) 205.2G3.5 858.7G14.5
53 (1) 229.2G6.5 959.0G27.0
(2) 209.8G3.5 878.0G14.5
55 (1) 223.5G6.5 934.9G27.0
(2) 211.0G3.5 882.8G14.5
57 (1) 258.7G5.3 1082.5G22.2
(2) 228.3G3.5 955.2G14.5
59 (1) 187.5G5.8 784.4G24.1
(2) 198.3G3.5 829.8G14.5
61 (1) 208.2G5.5 871.2G23.2
(2) 215.6G4.6 902.1G19.3
63 (1) 216.5G5.5 906.0G23.2

(2) 211.0G3.5 882.8G14.5
65 (1) 217.7G5.1 910.8G21.2
(2) 214.5G6.9 897.3G28.9
67 (1) 228.5G5.5 956.1G23.2
69 (1) 202.9G5.8 849.1G24.1
71 (1) 196.9G5.1 824.0G21.2
73 (1) 218.8G5.5 915.6G23.2
75 (1) 218.1G6.0 912.7G25.1
77 (1) 223.9G5.5 936.9G23.2
79 (1) 201.5G5.5 843.3G23.2
81 (1) 203.2G6.0 850.0G25.1
83 (1) 209.4G5.1 876.1G21.2
85 (1) 207.8G6.5 869.3G27.0
87 (1) 224.4G5.8 938.8G24.1
CHbC% 178.5G0.5 746.8G2.1 Derived This volume

%%
CH2aC 164.3G4 687.4G16.7
CH2aC%H 164.5G1 688.3G4.2
CH3–C%H2 100.0G0.5 418.4G2.1
%
CH2aCH-C H2 124.0G1.1 518.8G4.6
CH3–C%aCH2 80.1G4 335.1G16.7
CH3–CHaC%H 25.8G1.6 107.9G6.7 Derived from 1996NIST

CH3–CH2C%H2 23.7G1 99.2G4.2 DfH0 in ref.
CH3–C(CH3)aC%H2 23.3G1 97.5G4.2
CH3–CH2C%HCH3 23.8G1 99.6G4.2
%
CH3–CH2C HCH2CH3 23.8G1 99.6G4.2
CH3–C(CH3)2C%H2 22.1G1.5 92.5G6.3
%
CH3–CH2C (CH3)2 23.9G1.5 100.0G6.3
%
CH3CH2–CH2C H2 22.3G1 93.3G4.2
%
CH2CHCH2–CH2C H2 10.5G2.0 43.9G8.4
CH3CH2CH2CH2– 23.1G1.5 96.7G6.3
CH2C%H2
CH3CH2–CH2C%HCH3 21.3G1.5 89.1G6.3 Derived from 1996NIST

CH3CH2CH2– 21.8G2 91.2G8.4 DfH0 in ref.
CH2C%HCH3
(continued)
BDEs (boldfaceZ
recommended data;
CH3CH2CH2CH2– 21.8G2 91.2G8.4

CH2C%HCH3
CH3CH2CH2CH2CH2– 21.5G2 90.0G8.4
CH2C%HCH3
(CH3)2C–CH2C(CH3)2 21.2G1.4 88.7G6
CH2CH–CHC%H 38.7G2.0 161.9G8.4 Derived from 1996NIST

%
CH2CHC HCH2–CH3 34.9G2.0 146.0G8.4 DfH0 in ref.
%
CH2CHC HCH2– 33.1G2.0 138.5G8.4
CH2CH3
CH2CHC%HCH2– 32.7G3 136.8G12.6
CH2CH2CH2CH3
C6H5C%HCH2–CH2CH3 31.3G3 131.0G12.6
C6H5CH2–CH2CHCH3 9.2G2 38.5G8.4
FC–C 122G6 510G25 Derived This volume

F2C–CF 63.4G2.3 265.3G9.6
FHC–CF 107.2G4 448.5G16.7
F2C–CH 121.5G2.5 508.4G10.5
F3C–CF2 58.6G2 245.2G8.4
CH3–CF2 63.9G2.5 267.4G10.5
F3CF2C–CF2 K361 K1510
Cl3C–CCl2 62.6G2 261.9G8.4 Derived This volume

H3C–CCl2 78.8G1.5 329.7G6.3
H3C–CBr2 78.9G2 330.1G8.4 Derived This volume
CH3–CH2C%HCl 26.6G2 111.3G8.4 Derived from 1996NIST

CH2Br–CH2C H2 %
24.7G2 103.3G8.4 DfH0 in ref.
%
CH3–CH2C HBr 28.3G2 118.4G8.4
C–CO (1) 76.4 319.6 Derived from (1) 1996NIST

(2) 53.8G0.6 225.0G2.5 DfH0 in ref (2) 1998CHO/MOR
OCC–CO (1) 64.6 270.1
CC–C(O)O 127.3G3 532.6G12.6 Derived 1974GUR/KAR
CH–CO 74.2G0.7 310.2G2.9 Derived 1996MOR/OSB
CH3–CO (1) 11.1 46.4 (1) Derived (1) This volume

CH2Cl–CO (1) 6.6 27.5
CHCl2–CO (1) 0.1 0.3
CF3–CO (2) 12.4G1 51.9G4.2 (2) FP (2) 1995MAR/SZE
CH3CH2–CO (1) 9.7 40.5
CH2CH–CO (1) 24.0 100.4
CH2C(CH3)–CO (1) 14.9 62.3
CH3CH2CH2–CO (1) 10.5 43.9
(CH3)2CH–CO (1) 9.9 41.4
(CH3)3C–CO (1) 9.7 40.6
C6H5–CO (1) 24.7 103.3
CH3–CH2C%HOH 24.7G2.5 103.3G10.5 Derived from 1996NIST

HOCH2–CH2C H2 %
24.4G2.5 102.1G10.5 DfH0 in ref
%
CH3–CH(OH)C H2 20.3G3 84.9G12.6
%
CH3–CH2C (O) 21.8G2.5 91.2G10.5
CH3–C(O)C%H2 22.3G2.5 93.3G10.5
%
tC4H9–C(O)C H2 18.2G3 76.1G12.6
%
C6H5–C(O)C H2 37.8G3 158.2G12.6
%
C H2CH2–CN 58.8G3.5 246.0G14.6
CH3–CH2O% 12.3G1 51.5G4.2 Derived from 1996NIST

CF3–CHFO %
2.1 8.8 DfH0 in ref.
%
CH3CH2–CH2O 9.6G2 40.2G8.4
%
CH3–CH(CH3)O 5.9G1 24.7G4.2
CH3–CCl(CH3)O% 2.6G2 10.9G8.4
(continued)
BDEs (boldfaceZ
recommended data;
CH3CH2CH2–CH2O% 12.9G3 54.0G12.6 Derived from 1986PED/NAY

CH3CH2–CH(CH3)O %
4.2G2 17.6G8.4 DfH0 in ref.
%
CH3–C(CH3)2O 3.4G3 14.2G12.6
%
CH2aCH–CH2O 24.8G3 103.8G12.6
C6H5–CH2O% 27.3G3 114.2G12.6
CH3–C(O)O% (1) K16.0G3 K66.9G12.6 (1) Derived from (1) 2003BLA/ELL

DfH0 in ref.
(2) K21.0G1.2, 0 K K87.8G4.8 (2) Photodetach. (2) 2004LU/CON
CF3–C(O)O% K14.8G3 K61.9G12.6 Derived from 1995TAK/PAS

DfH0 in ref.
C6H5–C(O)O% K3.2G3 K13.4G12.6 Derived from 2003BLA/ELL

DfH0 in ref.
C6H5–CH2N%H 26.0G3 108.8G12.6 Derived from 1996NIST

CH3–CH2S %
33G5 138G21 DfH0 in ref.
%
H3CH2–CH2S 31.3G5 131G21
CH3–CH(CH3)S% 29.2G5 122G21
%
C6H5–CH2S 36.1G5 151G21
BDEs in the clusters and complexes of N-, P-As-, Sb-, and Bi-ions are listed in Chapter 25. (3) The BDEs in the
complexes of halogenated ions are listed in Chapter 27. (3) The BDEs in the clusters and complexes of O-, S-, Se-,
Te-, and Po-ions are listed in Chapter 26. (4) The BDEs in the clusters and complexes of halogenated ions are listed
in Chapter 27.
chapter five
BDEs of C–halogen bonds
5.1 C–F bonds

Table 5.1 C–F BDEs
BDEs (boldfaceZ
recommended data;
The broken bonds
(boldfaceZdissociated
atom) kcal/mol kJ/mol Methods References
Cyanogen fluoride (1) 112.3G1.2 469.9G5.0 (1) AE (1) 1978DAY/GOW

F–CN (2) 115.4 482.8 (2) Der. from (2) 1996NIST
DfH0 in ref.
Tetrafluoromethane (1) 130.5 546.0 Derived (1) 1975CHE/ROD

F–CF3 (2) 130.7G0.5 546.8G2.1 (2) 1998RUS/MIC
Trifluoromethane (1) 126.0 527.2 (1) Derived (1) 1975CHE/ROD

F–CHF2 (2) 127 531.4 (2) Bromination (2) 1987TSC/PAD
(3) 127.6G1.4 533.9G5.9 (3) Review (3) 2001LAZ/PRO
Difluoromethane (1) 119.0 497.9 (1) Derived (1) 1975CHE/ROD

F–CH2F (2) 118.6G2.1 496.2G8.8 (2) Review (2) 2001LAZ/PRO
Chlorofluoromethane (1) 117G6 489.5G25 (1) Kinetics (1) 1972FOO/TAI(b)

F–CF2Cl (2) 123 514.6 (2) Derived (2) 1975CHE/ROD
(3) 122.3 511.7 (3) Der. from (3) 1996NIST
DfH0 in ref.
(continued)
211
Table 5.1 (continued) C–F BDEs
BDEs (boldfaceZ
recommended data;
The broken bonds
Trifluorobromomethane 120.4G5 504G21 Derived from 1991GUR/VEY

F–CF2Br DfH0 in ref.
Dichlorofluoromethane (1) 110G6 460G25 (1) Kinetics (1) 1972FOO/TAI(b)

F–CFCl2 (2) 115.2G2.5 482.0G10.5 (2) Der. from (2) 1998CHA
DfH0 in ref.
(3) 120.3 503.4 (3) PIMS (3) 1997SHE/QI
Chlorodifluoromethane 110.5G2.4 462.3G10.0 Derived 1987TSC/PAD

F–CHFCl
Trichlorofluoromethane (1) 106G5 444G21 (1) Review (1) 1970DAR

F–CCl3 (2) 101.9 426.3 (2) Derived (2) 1975CHE/ROD
(3) 105G1 439.3G4 (3) Der. from (3) 1998CHA
DfH0 in ref.
Dichlorofluoromethane 106.7G5.5 446G23 Derived from 1991GUR/VEY

F–CHCl2 DfH0 in ref.
Chlorofluoromethane 111.2G2.3 465.3G9.6 Derived 1987TSC/PAD

F–CH2Cl
Bromochlorodi 114.5G4 479G17 Derived from 1991GUR/VEY

fluoromethane DfH0 in ref.
F–CFClBr
Bromochloro 107.5G4 450G17 Derived from 1991GUR/VEY

F–CHClBr
BDEs of C–Halogen Bonds 213
Bromodichloro 104.7G5 438G21 Derived from 1991GUR/VEY

F–CCl2Br
Dibromochloro 100G5 418G21 Derived from 1991GUR/VEY

F–CClBr2
Tribromofluoromethane 99.0G5 414G21 Derived from 1991GUR/VEY

F–CBr3 DfH0 in ref.
Dibromofluoromethane 105.8G5 443G21 Derived from 1991GUR/VEY

F–CHBr2 DfH0 in ref.
Bromofluoromethane 111.3G4 466G17 Derived from 1991GUR/VEY

F–CH2Br DfH0 in ref.
Triiodofluoromethane 109.6G10 459G42 Derived from 1991GUR/VEY

F–CI3 DfH0 in ref.
Diiodofluoromethane 114G9 477G38 Derived from 1991GUR/VEY

F–CHI2 DfH0 in ref.
Fluoroiodomethane %110.0 %460.2 IR CL 2002ARU/VIJ

F–CH2I
Fluoromethane (1) 108G5 452G21 (1) Review (1) 1970DAR

F–CH3 (2) 109.9 459.8 (2) Derived (2) 1975CHE/ROD
(3) 112.8 472.0 (3) Review (3) 1988LIA/BAR
(4) 110.0G2.0 460.2G8.4 (4) Der. from (4) 1998CHA
DfH0 in ref.
(5) 109.8G1.2 459.4G5.0 (5) Review (5) 2001LAZ/PRO
Fluoroethyne 124.6 521.3 Derived from 1996NIST

F–CbCH DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
The broken bonds
Difluoroethyne 124G5 519G21 Review 1996ZAR/WES

F–CbCF
Tetrafluoroethylene 130.6G3 546.4G12.6 Derived from 2002CRC

F–CFaCF2 DfH0 in ref.
Chlorotrifluoroethylene 110 460 PD 2000LEE/WAN

F–CClaCF2
Hexafluoroethane (1) 126.8G1.8 530.5G7.5 (1) Derived (1) 1982MCM/GOL

F–CF2CF3 (2) 127.2G1.5 532.2G6.3 (2) Review (2) 2001LAZ/PRO
1,1,1,2-Tetrafluoroethane 109.4 457.7 Derived 1975CHE/ROD

F–CH2CF3
Pentafluoroethane 128.2G2.3 536.4G9.6 Combined 2005YAN/HUA(b)

F–CHFCF3
1,1,2-Trifluoroethane 120.9G3.2 505.7G13.2 Review 2005GIA

F–CHFCH2F

F–CH2CHF2
1,1,2,2-Tetrafluoroethane 123.8G4.3 518.2G18.0 Review 2005GIA

F–CHFCHF2

F–CF2CH3
Vinyl fluoride 123.7G3 517.6G12.6 Derived from 1986PED/NAY

F–C2H3 DfH0 in ref.
Fluoroethane (1) 107.7 450.6 (1) Derived (1) 1975CHE/ROD

F–C2H5 (2) 111.7G2 467.4G8.4 (2) Der. from (2) 2004KOR/LIE
DfH0 in ref.
(E)-1-fluoropene 124.1G1.5 519.2G6.3 Derived from 1996NIST

(E)-F–CHaCHCH3 DfH0 in ref.
(Z)-1-fluoropene 124.9G1.5 522.6G6.3 Derived from 1996NIST

(Z)-F–CHaCHCH3 DfH0 in ref.
1-Fluopropane (1) 111.1G3 464.8G12.6 Derived from (1) 1986PED/NAY

F–C3H7 (2) 113.5G2 474.9G8.4 DfH0 in ref. (2) 1998SMI
2-Fluopropane (1) 110.1G5 460.7G21 Derived from (1) 1986PED/NAY

F–iso-C3H7 (2) 115.5G2 483.3G8.4 DfH0 in ref. (2) 2004KOR/LIE
2-Fluoro-2-methyl- 118.5G2 495.8G8.4 Derived from 2004KOR/LIE

propane DfH0 in ref.
F–tert–C4H9
Fluoro-cyclo-hexane 117.5G1.5 491.4G6.3 Derived from 1996NIST

F–cyclo-C6H11 DfH0 in ref.
Fluorobenzene 125.6G2 525.5G8.4 Derived from 1986PED/NAY

F–C6H5 DfH0 in ref.
Hexafluorobenzene (1) 114 477.0 Derived (1) 1975CHO/GOL

F–C6F5 (2) 116G6 485G25 (2) 2004CAR/KOY
(continued)
BDEs (boldfaceZ
recommended data;
The broken bonds
(Fluoromethyl)benzene 98.7G1 412.8G4.2 Derived 2003VER/KRA

F–CH2C6H5
Formyl fluoride (1) 119.0G2.5 497.9G10.5 (1) Der. from (1) 1998CHA
F–COH DfH0 in ref.
(2) %115.2 %482 (2) UV (2) 1999MAU/DIE
photolysis
Fluoroformyl fluoride (1) 127.9G3 535.1G12.6 (1) PIMS (1) 1995BUC/JOH

F–COF (2) 129.6G3 542.2G12.6 (2) Der. from (2) 1996ASH/APP
DfH0 in ref.
(3) 122.0 510.3 (3) Derived (3) 2004JAN/ROS
Chloroformyl fluoride 115.8 484.5 Derived from 1998CHA

F–COCl DfH0 in ref.
Acetyl fluoride 122.3G3 511.7G12.6 Derived from 2002CRC

F–C(O)CH3 DfH0 in ref.
Nitrofluoroalkanes
F–C(NO2)3 101.8 426.1 Derived 1994NAZ/MAN
F–C(NO2)2F 113.5 474.7
F–C(NO2)2CH3 105.7 442.4
F–C(NO2)2C(NO2)3 116.4 486.9
F–C(NO2)FC(NO2)2F 118.4 495.2
F–C(NO2)2C(NO2)2F 107.0 447.5
F–C60 %86.8 %363 Derived 1997BOL/PON

F–C70 %89.4 %374
F–C 122.8G2.4 513.8G10.0 Derived This volume

–CF 121.1G3 506.6G12.6
–CCl 117.5G4.5 491.6G18.8
–CH 127.6G3.1 533.9G13
–CF2 85.8G2 359.0G8.4
–CCl2 94.3G3 394.6G1.6
–CClF 93.1G3.8 389.5G15.9
–CClBr 91.3G3 382.0G12.6
–CHF 110.3G3.2 461.5G13.4
–CHCl 111.5G3 466.5G12.6
–CH2 119.9G1.1 501.7G4.6
F–CC% 104G6 435G25 Derived This volume
F–CFC%F 69.9G3 292.5G12.6 Derived from 1996NIST

–CFC%H 71.2G3 297.9G12.6 DfH0 in ref.
–CHC%F 61.7G3 258.2G12.6
–CF2C%F2 75.0G3 313.8G12.6
%
–CHFC F2 64.6G3 270.3G12.6
–CH2C%F2 44.3G3 185.4G12.6
%
–CF2C HF 68.4G3 286.2G12.6
–CH2C%HF 43.6G3 182.4G12.6
–CF2C%H2 60.4G3 252.7G12.6
–CHFC%H2 54.9G3 229.7G12.6
%
–CH2C H2 45.7G3 191.2G12.6
–CClFC%F2 62.2G3 260.2G12.6
F–CF2O% 27G1 113.0G4.2 Re-evaluated 2000REI/PRA
F–C%(O) 31.1G3 130.1G12.6 Derived This volume
F–C% (O)CH2 63.4G2.0 265.3G8.4 Derived from 1996NIST

DfH0 in ref.
F–CO2 12.9 54.1 Derived from 1995TAK/PAS

DfH0 in ref.
5.2 C–Cl bonds

Table 5.2 C–Cl BDEs
BDEs (boldfaceZ
recommended data;
The broken bonds
Cyanogen chloride (1) 100.8G1.2 421.7G5.0 (1) AP (1) 1978DAY/GOW

Cl–CN (2) 101.0G2.0 422.6G8.4 (2) Der. from (2) 2002CRC
DfH0 in ref.
Chlorotrifluoromethane (1) 86.1G0.8 360.2G3.3 (1) Kinetics (1) 1967COO/WHI

Cl–CF3 (2) 86.2G3 360.7G12.6 (2) Kinetics (2) 1983MAR/PAR
(3) 89.1 372.8 (3) ECD (3) 1989CHE/ALB
Chlorodifluoromethane 87.0G2 364G8 Derived from 1996NIST

Cl–CHF2 DfH0 in ref.
Chlorofluoromethane 84.7G2.8 354.4G11.7 Derived 1987TSC/PAD

Cl–CH2F
Dichlorodifluoro (1) 76G2 318.0G8.4 (1) Kinetics (1) 1972FOO/TAI(b)

methane (2) 73.4G2.5 307.1G10.5 (2) ElCD (2) 1989CHE/ALB
Cl–CF2Cl (3) 79.8G2.5 333.9G10.5 (3) Der. from (3) 1998CHA
DfH0 in ref.
(4) 83.9G2.3 351.2G9.6 (4) PI MS (4) 1997SHE/QI
Trichlorofluoromethane (1) 72G2 301.2G8.4 (1) Kinetics (1) 1972FOO/TAI(b)

Cl–CFCl2 (2) 70.5 295.0 (2) ECD (2) 1989CHE/ALB
(3) 76.7G2 320.9G8.4 (3) Der. from (3) 1998CHA
DfH0 in ref.
Dichlorofluoromethane (1) 82.7G3.2 346.0G13.4 (1) Derived (1) 1987TSC/PAD

Cl–CHFCl (2) 83.4 348.9 (2) ECD (2) 1989CHE/ALB
Tetrachloromethane (1) 70.4G1 294.6G4.2 (1) Bromination (1) 1973MEN/GOL

Cl–CCl3 (2) 70.8G1.3 296.2G5.4 (2) Correlation (2) 1978KAT/RAJ
(3) 73.3 306.8 (3) PI (3) 1996LI/RAN(c)
(4) 71.0 297.2 (4) PIMS (4) 1996LI/RAN
(5) 70.9 296.6 (5) Review (5) 2001LAZ/PRO
Trichloromethane (1) 76.2 318.8 (1) Correlation (1) 1978KAT/RAJ

Cl–CHCl2 (2) 80.9G1 338.5G4.2 (2) Derived (2) 1987TSC/PAD
(3) 73.6 307.9 (3) ECD (3) 1989CHE/ALB
(4) 76.6G1.5 320.5G6.3 (4) Review (4) 2001LAZ/PRO
(5) 74.4G0.5 311.1G2.0 (5) TPEPICO (5) 2006LAG/BAE(b)
Dichloromethane (1) 80.9G1.0 338.5G4.2 (1) Derived (1) 1987TSC/PAD

Cl–CH2Cl (2) 77.9 325.9 (2) ECD (2) 1989CHE/ALB
(3) 79.1 331.0 (3) Photolysis (3) 1994TZE/LEE
(4) 80.8 338.1 (4) Review (4) 2001LAZ/PRO
(5) 80.8G0.8 338.0G3.3 (5) TPEPICO (5) 2005LAG/KER
Bromodichloro 76.7G4 321G17 Derived from 1991GUR/VEY

Cl–CFClBr
Bromochloromethane 73.7G4 308G17 Derived from 1991GUR/VEY

Cl–CHClBr DfH0 in ref.
Bromotrichloromethane 68.6G2.5 287G10.5 Derived from 1996NIST

Cl–CBrCl2 DfH0 in ref.
Dibromodichloro 65.6G4 274G17 Derived from 1991GUR/VEY

methane DfH0 in ref.
Cl–CBr2Cl
Tribromochloromethane 64.8G2.5 271G10.5 Derived from 1991GUR/VEY

Cl–CBr3 DfH0 in ref.
Dibromochloromethane 71.5G5 299G21 Derived from 1991GUR/VEY

Cl–CHBr2 DfH0 in ref.
(continued)
Table 5.2 (continued) C–Cl BDEs
BDEs (boldfaceZ
recommended data;
The broken bonds
Bromochloromethane (1) 74.9 313.4 (1) Der. from (1) 1996NIST

Cl–CH2Br DfH0 in ref.
Chlorotriiodomethane 76.6G10 321G42 Derived from 1991GUR/VEY

Cl–CI3 DfH0 in ref.
Chlorodiiodomethane 79.5G7.5 333G32 Derived from 1991GUR/VEY

Cl–CHI2 DfH0 in ref.
Chloroiodomethane (1) %72.0 %301.2 (1) IR CL (1) 2002ARU/VIJ

Cl–CH2I (2) 82.7G6.5 346G27 (2) Der. from (2) 1991GUR/VEY
DfH0 in ref.
Chloromethane 83.7G0.4 350.2G1.7 Derived from 1986PED/NAY

Cl–CH3 DfH0 in ref.
Dichloroethyne 106G12 443G50 Derived from 1998CHA

Cl–CbCCl DfH0 in ref.
Chloroethyne 104.1G2 435.6G8.4 Derived from 1988LIA/BAR

Cl–CbCH DfH0 in ref.
2-Chloroethanenitrile (1) 63.9 267.4 (1) CID (1) 2002POU/UPS

Cl–CH2CN (2) 66.4G0.7 277.9G2.9 (2) Electrochem. (2) 2003COS/ROB
(3) 70.5 295.0 (3) Est by exp (3) 2004ISS/GEN
Chlorotrifluoroethylene 90 377 Photodissociation 2000LEE/WAN

Cl–CFaCF2
(Z)-1,2-dichloroethylene 88.2 369.0 ECD 1989CHE/ALB

(Z)-ClCHaCH–Cl
(E)-1,2-dichloroethylene 88.4 369.9 ECD 1989CHE/ALB

(E)-ClCHaCH–Cl
1,2-Dichloroethylene 93.4 390.8 ECD 1989CHE/ALB

g-CH2aCCl–Cl
1,1,2-Trichloroethylene 93.6 391.6 ECD 1989CHE/ALB

ClCHaCCl–Cl
Tetrachloroethylene 91.7 383.7 ECD 1989CHE/ALB

CCl2aCCl–Cl
Vinyl chloride (1) 91.7G1.0 383.7G4.2 (1) Der. from (1) 1986PED/NAY
Cl–CHaCH2 DfH0 in ref.
(2) 94.8G1.2 396.5G4.8 (2) PI (2) 1995SHE/QI
(3) 95.6G2 400.0G8.4 (3) Der. from (3) 1996NIST
DfH0 in ref.
Chlorotrifluoroethylene 103.9G2 434.7G8.4 Derived from 2002CRC

Cl–CFaCF2 DfH0 in ref.
Chloropenta (1) 82.7G1.7 346.0G7.1 Kinetics (1) 1967COO/WHI

fluoroethane (2) 78G2 326.4G8.4 (2) 1972FOO/TAI(b)
Cl–CF2CF3 (3) 82.0G1.2 343.1G5.0 (3) 1989TAC/SAL
Dichlorotetra (1) 78G2 326.4G8.4 Kinetics (1) 1972FOO/TAI(b)

fluoroethane (2) 79.2G5 331.4G20.9 (2) 1989TAC/SAL
Cl–CF2CF2Cl
(continued)
BDEs (boldfaceZ
recommended data;
The broken bonds
1,1-Difluoro-1-chloro- 84.8G2.1 355.0G Review 2005GIA

ethane
Cl–CF2CH3
1,1,1-Trichloro-2,2,2-tri- (1) 71 297.1 Correlation (1) 1978KAT/RAJ

fluoro ethane (2) 73.6 307.9 (2) 1995DEN
Cl–CCl2CF3
Hexachloroethane (1) 72.6 303.8 (1) Photo chlor. (1) 1969FRA/HUY

Cl–CCl2CCl3 (2) 71.7 300.0 (2) Correlation (2) 1995DEN
(3) 71.5 299.2 (3) Derived (3) 1997CIO/LIU
Pentachloroethane 79.0G1 330.5G4.2 Pyrolysis 1982BEN/WEI

Cl–CHClCCl3
Pentachloroethane (1) 67.8 283.7 (1) Derived (1) 1997CIO/LIU

Cl–CCl2CHCl2 (2) 74.5 311.7 (2) Correlation (2) 1995DEN
1,1,1,2-Tetrachloroethane 76.0 318.0 Correlation 1995DEN

Cl–CCl2CH2Cl
1,1,1-Trichloroethane (1) 70 292.9 Correlation (1) 1978KAT/RAJ

Cl–CCl2CH3 (2) 78.5 328.4 (2) 1995DEN
1,1-Dichloroethane (1) 79.5G2.1 332.6G8.8 Derived (1) 1997CIO/LIU

Cl–CHClCH3 (2) 78.4G0.4 327.9G1.8 (2) 1998SEE
1,2-Dichloroethane (1) 79.1 331.0 (1) ECD (1) 1989CHE/ALB

Cl–CH2CH2Cl (2) 83.2G2.3 348.1G9.6 (2) Derived (2) 1997CIO/LIU
(3) 82.5G1.2 345.1G5.0 (3) Derived (3) 1998SEE
1,1-Bromochloroethane 79.3G2.0 331.8G8.4 Derived from 1988LIA/BAR

Cl–CHBrCH3 DfH0 in ref.
Chloroethane (1) 84.2G0.8 352.3G3.3 (1) Der. from (1) 1986PED/NAY

Cl–CH2CH3 DfH0 in ref.
3-Chloro-1-propyne 71.0 297.1 Correlation 2003KRO/TUM

Cl–CH2CHaCH2
3-Chloro-1-propene (1) 71.3G1.2 298.3G5.0 (1) Der. from (1) 1986PED/NAY

Cl–CH2CHaCH2 DfH0 in ref.
3-Chloro-2-methyl-1- 66.2 277.0 Correlation 1995DEN

propene
Cl–CH2C(CH3)aCH2
Cis-1-chloropropene 95.2 398.3 Correlation 2003KRO/TUM

cis-Cl–CHaCHCH3
Trans-1-chloropropene 94.5 395.3 Correlation 2003KRO/TUM

trans-Cl–CHaCHCH3
1-Chloropropane 84.3G1.0 352.7G4.2 Derived from 1986PED/NAY

Cl–nC3H7 DfH0 in ref.
1,3-Dichloropropane 83.4 348.9 ECD 1989CHE/ALB

Cl–CH2CH2CH2Cl
2-Chloropropane (1) 84.6G1.5 354.0G6.3 (1) Der. from (1) 1986PED/NAY

Cl–iso-C3H7 DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
The broken bonds
1,4-Dichloro-2-butene 67.0 280.3 Correlation 1995DEN

Cl–CH2CHaCHCH2Cl
4-Chlorobutene 81.9 342.7 Derived from 1996NIST

Cl–CH2CHCHaCH2 DfH0 in ref.
(E)-1-chloro-2-butene 74.2G1.2 310.5G5 Derived from 1996NIST

(E)-Cl–CH2CHaCHCH3 DfH0 in ref.
(Z)-1-chloro-2-butene 72.9G1.2 305.0G5 Derived from 1996NIST

(Z)-Cl–CH2CHaCHCH3 DfH0 in ref.
1-Chlorobutane 84.5G1.0 353.5G4.2 Derived from 1986PED/NAY

1-Chloro-2-methyl (1) 83.8G1.5 350.6G6.3 (1) Der. from (1) 1986PED/NAY

Cl–iso-C4H9 (2) 83.7 350.3 (2) Correlation (2) 2003KRO/TUM
2-Chlorobutane (1) 83.7G1.5 350.2G6.3 (1) Der. from (1) 1986PED/NAY

Cl–sec-C4H9 DfH0 in ref.

Cl–tert-C4H9 (2) 83.5 349.2 (2) Correlation (2) 2003KRO/TUM
3-Chloro-but-1-ene (1) 71.7G1.5 300.0G6.3 (1) Der. from (1) 1996NIST

CH2CHCHCl(CH3) DfH0 in ref.
(2) 7 1.1 297.7 (2) Correlation (2) 2003KRO/TUM
4-Chloro-but-1-ene 81.9 342.7 Correlation 2003KRO/TUM

Cl–CH2CH2CHaCH2
1-Chloropentane (1) 83.8G1.5 350.6G6.3 (1) Der. from (1) 1986PED/NAY

1-Chloro-2,2-dimethyl- 84.2 352.1 Correlation 2003KRO/TUM

propane
Cl–CH2C(CH3)3
1-Chloroalkanes
Cl–CnH2nC1
nZ6 83.3 348.5 Correlation 2003KRO/TUM
7 84.3 352.8
8 85.1 355.9
12 85.2 356.5
16 84.3 352.5
18 85.3 356.7

butane DfH0 in ref.
Cl–C(CH3)2(C2H5) (2) 84.1 352.0 (2) Correlation (2) 2003KRO/TUM
2-Chloroalkanes
Cl–CH(CH3)(CnH2nC1)
nZ3 (2) 84.0 351.3 (1) Der. from (1) 1994PED
DfH0 in ref.
4 (1) 84.8G1.5 354.8G6.3 (2) Correlation (2) 2003KRO/TUM
(2) 84.5 353.6
(continued)
BDEs (boldfaceZ
recommended data;
The broken bonds
5 (2) 83.1 347.9

6 (2) 83.8 350.5
Chloro-cyclo-hentane 82.4 344.9 Correlation 2003KRO/TUM

Cl–cyclo-C5H9
Chloro-cyclo-hexane (1) 86.1G2 360.2G6.5 (1) Der. from (1) 1986PED/NAY

Cl–cyclo-C6H11 DfH0 in ref.
Chlorobenzenes,
substituted
Cl
Y
YZH (1) 95.5G1.5 399.6G6.3 (1) Der. from (1) 1986PED/NAY
DfH0 in ref.
(2) 95.1G2.5 397.9G10.5 (2) ECD (2) 1989CHE/ALB
(3) 94.5G2.3 395.4 (3) ECD (3) 2002CHE/CHE
2-Cl (2) 92.2 385.8
3-Cl (2) 89.9 376.1
4-Cl (2) 93.7 392.0
2-Me (2) 93.7 392.0
2-CF3 (2) 93.0 389.1
4-CF3 (2) 93.0 389.1
3-CH3CO (2) 92.2 385.8
4-CH3CO (2) 91.4 382.4
3-F-4-Cl (2) 91.6 383.3
2-CF3-4-Cl (2) 90.3 377.8
3,5-Cl2 (2) 94.5 395.4
2,4,5-Cl3 (2) 94.4 395.0
Chloropenta 91.6G2 383.3G8.4 Derived 1982MCM/GOL

fluorobenzene
Cl–C6F5
Chlorocyclohexane 85.1G2 356.1G8.4 Derived from 1986PED/NAY

Cl–C6H11 DfH0 in ref.
Trichloro-phenyl 66.5 278.2 Correlation 1995DEN

methane
Cl–CCl2C6H5
Benzyl chloride (1) 72.9G2 305.0G8.4 (1) Der. from (1) 1986PED/NAY
Cl–CH2C6H5 DfH0 in ref.
(2) 71.6 299.6 (2) Electrochem. (2) 1992AND/GOR
(3) 71.7G1.1 299.9G4.3 (3) Derived (3) 2003VER/KRA
Benzyl chloride
substituted
CH2 Cl
Y
YZ3-F 68.5 286.8 Correlation 1998DEN
4-F 69.1 289.0
3-Cl 69.1 289.0
3-Me 69.1 289.0
4-Me 69.9 292.5
3-CF3 68.4 286.2
3-MeO 69.2 289.6
4-tert-Bu 69.8 291.9
4-CN 67.0 280.3
3,4-Cl2 68.3 285.6
3,5-Cl2 66.7 279.2
3,5-(CF3)2 66.3 277.6
Dichloromethyl benzene 68.0 284.5 Electrochem. 1997BOR/DAL

C6H5CHCl–Cl
(continued)
BDEs (boldfaceZ
recommended data;
The broken bonds
Trichloromethyl benzene 58.1 243.1 Electrochem. 1997BOR/DAL

C6H5CCl2–Cl
1-Chloroethylbenzene 69.9G1.1 292.4G4.4 Derived 2003VER/KRA

C6H5CH(CH3)–Cl
(1-chloro-isopropyl) 70.0G1.5 292.8G6.3 Derived 2003VER/KRA

benzene
C6H5C(CH3)2–Cl
(2-chloroethyl)benzene 76.4 319.8 Correlation 2003KRO/TUM

Cl–CH2CH2C6H5
1-Chloronaphthalene (1) 93.4G3 390.8G12.6 (1) ECD (1) 1989CHE/ALB

Cl–1-naphthyl (2) 96.3G2.7 402.9G11.3 (2) Der. from (2) 1986PED/NAY
DfH0 in ref.
(3) 95.7 400.4 (3) Derived (3) 1998GAL/PAU
2-Chloronaphthalene (1) 91.9G2.7 384.5G11.3 (1) Der. from (1) 1986PED/NAY

Cl–2-naphthyl DfH0 in ref.
(2) 93.1 389.5 (2) Derived (2) 1998GAL/PAU
1-Adamantyl chloride (1) 83.8G3 350.6G12.6 Derived from (1) 1999FLO/DAV

Cl–1-adamantyl (2) 90.4G3 378.2G12.6 DfH0 in ref. (2) 2002LI/BAR
2,2,2-Trichloroethane 62.2 260.2 Correlation 1995DEN

nitrile
CNCCl2–Cl
2,2-Dichloroethanenitrile 70.7 295.8 Correlation 1995DEN

CNCHCl–Cl
Carbonyl chloride (1) 76.2G2 318.8G8.4 (1) Der. from (1) 2002CRC
Cl–C(O)Cl DfH0 in ref.
(2) 65.0G4.6, 0 K 272.1G19.3 (2) CID (2) 2003LIY/STY(b)
Chloroformyl fluoride 90.0 376.6 Derived from 1998CHA

Cl–C(O)F DfH0 in ref.
Acetyl chloride 84.6G2 354.0G8.4 Derived from 2002CRC

Cl–C(O)CH3 DfH0 in ref.
2-Chloroacetyl chloride 64.7 270.7 Correlation 1995DEN

Cl–CH2C(O)Cl
Propanoyl chloride 84.4G1.5 353.3G6.3 Derived from 1998WIN/ROW

Cl–C(O)CH2CH3 DfH0 in ref.
Benzoyl chloride 81.5G2 341.0G8.4 Derived from 2002CRC

Cl–C(O)C6H5 DfH0 in ref.
2-Chloro-1-phenylethan- 73.9 309 VLPP 1999DOR/HEM

1-one
Cl–CH2C(O)C6H5
2-Chloroacetic acid (1) 66.6 278.7 (1) Correlation (1) 1995DEN

Cl–CH2C(O)OH (2) 74.3G0.5 310.9G2.2 (2) Calorimetry (2) 2001LAG/DIO
(3) 71.0G3 297.1G12.6 (3) Der. from (3) 2001DOR/NOV
DfH0 in ref.
2,2-Dichloroacetic acid 67.2 281.2 Correlation 1995DEN

Cl–CClHC(O)OH
(continued)
BDEs (boldfaceZ
recommended data;
The broken bonds
2,2,2-Trichloroacetic acid 66.3 277.4 Correlation 1995DEN

Cl–CCl2C(O)OH
2-Chloropropionic acid 71.2G0.8 298.0G3.2 Combination 2002LAG/DIO

CH3CHClC(O)OH
Methyl 2-chloroacetate 72.1 301.7 Correlation 1995DEN

Cl–CH2C(O)OCH3
Ethyl 2,2-dichloroacetate 68.8 287.9 Correlation 1995DEN

Cl–CClHC(O)OC2H5
Ethyl 2,2,2-trichloro 66.7 279.1 Correlation 1995DEN

acetate
Cl–CCl2C(O)OC2H5
Phenyl 2-chloroacetate (1) 81 338.9 (1) PAC (1) 1989SIM/GRI

Cl–C(O)OC6H5 (2) 87 364.0 (2) PAC, revised (2) 1999LAA/MUL
Diethyl 2,2-dichloro 67.3 281.6 Correlation 1995DEN

propane-1,3-dioate
Cl–CCl(C(O)OEt)2
Chloroacetamides
Cl–CH2C(O)NH2 80.7 337.7 Electrochem. 2005COS/LOU
Cl–CClHC(O)NH2 73.3 306.8
Cl–CCl2C(O)NH2 64.1 268.2
Chloroacetamides
Cl–CH2C(O)NMe2 77.0 322.3 Electrochem. 2005COS/LOU
Cl–CCl2C(O)NMe2 66.0 275.9
Chloroacetamides 77.5 324.2 Electrochem. 2005COS/LOU

Cl–CH2C(O)NEt2
Chlorothioformyl 63.4G0.5 265.3G2.1 Photolysis 1977OKA

chloride
Cl–C(S)Cl
Chloromethyl 72.0G0.6 301.2G2.5 Photoinozation 2001CHE?CHE

thiomethane
Cl–CH2SCH3
Chlorotrinitromethane (1) 73.2 306.3 (1) Derived (1) 1994NAZ.MAN

Cl–C(NO2)3 (2) 72.2 302.1 (2) Der. from (2) 1996NIST
DfH0 in ref.
Chloromethyl pyridines
X
N C Cl
X'
XZH X’ZH 70.1 293.3 Electrochem. 1997BOR/DAL
H Cl 64.1 268.2
Cl Cl 57.6 241.0
X
C Cl
N
X'
H Cl 63.5 265.7
Cl Cl 55.9 233.9
X
C Cl
N
X'
(continued)
BDEs (boldfaceZ
recommended data;
The broken bonds

H Cl 65.8 275.3
Cl Cl 59.3 248.1
Chloropyridine
N Cl 90.5G3.5 378.7G14.6 Derived from 2005SILMIR

2 DfH0 in ref.
3
4
Chloropyrazine 86.6G3.5 362.3G14.6 Derived from 2005SILMIR

DfH0 in ref.
N
N Cl
Cl–C 94.4G3.2 394.9G13.4 Derived This volume

–CF 82.6G3.8 345.6G15.9
–CCl 80.9G3.1 338.5G13.0
–CBr 87.2G15 364.8G63
–CH 93.8G2.2 392.3G9.2
–CF2 52.2G2.5 218.4G10.5
–CClF 57.7G3.8 241.4G15.9
–CCl2 66.0G2 276.1G8.4
–CBr2 67.4G3.5 282.0G14.6
–CClBr 63.2G4 264.4G16.7
–CHF 77.7G3.8 325.1G15.9
–CHCl 84.7G2.5 354.4G10.5
–CH2 94.3G1 394.6G4.2
Cl–CC% 89G7 372G29 Derived from This volume

DfH0 in ref.
Cl–CHC%H 17.5G0.5 73.2G2 Photolysis 2005GAO/ALE

Cl–CClC%Cl 33.7G3 141.0G12.6 Derived from 1996NIST

–CF2C%F2 35.6G3 149.0G12.6 DfH0 in ref.
–CF2C%HF 23.4G3 97.9G12.6
–CF2C%H2 21.1G3 88.3G12.6
%
–CCl2C Cl2 17.6G3 73.6G12.6
–CHClC%Cl2 18.8G3 78.7G12.6
%
–CH2C Cl2 23.2G3 97.1G12.6
–CCl2C%HCl 12.2G3 51.0G12.6
–CHClC%HCl 18.3G3 76.6G12.6
–CH2C%HCl 18.4G3 77.0G12.6
%
–CCl2C H2 12.3G3 51.5G12.6
–CHClC%H2 12.5G3 52.3G12.6
%
–CH2C H2 19.3G2 80.8G8.4
Cl–C%(O) (1) 7.8G1 32.6G4 (1) Derived (1) This volume

(2) 17.1G4.6 71.4G19.3 (2) CID (2) 2003LIY/STY(b)
5.3 C–Br bonds

Table 5.3 C–Br BDEs
BDEs (boldfaceZ
recommended data;
The broken bonds
Cyanogen bromide (1) 87.8G1.2 367.4G5.0 (1) AE (1) 1978DAY/GOW

Br–CN (2) 87.2G1.0 364.8G4.2 (2) Derived from (2) 1996NIST
DfH0 in ref.
Bromotrifluoromethane (1) 70.6G3 295.4G12.6 (1) Kinetics (1) 1972FER/WHI(b)

Br–CF3 (2) 69.6 291.2 (2) Derived (2) 1983EVA/WEE
(3) 71.0 297.1 (3) Correlation (3) 1995DEN
(4) 70.8G0.3 296.2G1.3 (4) PIMS (4) 1997ASH/RUS
Bromodifluoromethane 69G2 288.7G8.4 Bromination 1974OKA/WHI

Br–CHF2
(continued)
Table 5.3 (continued) C–Br BDEs
BDEs (boldfaceZ
recommended data;
The broken bonds
Bromofluoromethane 70.5G4 295G17 Derived from 1991GUR/VEY

Br–CH2F DfH0 in ref.
Bromochlorodifluoromethane (1) 64.5G1.5 269.9G6.3 (1) Review (1) 1982MCM/GOL

Br–CF2Cl (2) 64.1G2 268G8 (2) Thermolysis (2) 1994DEL/LOU
Difluorodibromomethane 63.8G4 270G17 Derived from 1991GUR/VEY

Br–CF2Br DfH0 in ref.
Bromodichlorofluoromethane 61.6G4 257.7G17 Derived from 1991GUR/VEY

Br–CCl2F DfH0 in ref.
Bromochlorofluoromethane 67.2G4 281G17 Derived from 1991GUR/VEY

Br–CHFCl DfH0 in ref.
Bromotrichloromethane (1) 52G3 218G13 (1) Review (1) 1970DAR

Br–CCl3 (2) 55.3G1 231.4G4.2 (2) Bromination (2) 1973MEN/GOL
Bromodichloromethane (1) 58.3G5 248G21 (1) Derived from (1) 1991GUR/VEY

Br–CHCl2 DfH0 in ref.
(2) 62.3 261 (2) Derived (2) 2006JAW/CEM
Bromochloromethane (1) 65.5G4 274G17 (1) Derived from (1) 1991GUR/VEY

Br–CH2Cl DfH0 in ref.
(2) 68.0 285 (2) PD (2) 1994TZE/LEE
Dibromochlorofluoromethane 61.4G1.2 257G5 Derived from DfH0 2003OWE/NAU

Br–CFClBr in ref.
Dibromochloromethane 57.6G5 241G21 Derived from DfH0 1991GUR/VEY

Br–CHClBr in ref.
Dibromodichloromethane 53.9G4 225.5G17 Derived from DfH0 1991GUR/VEY

Br–CBrCl2 in ref.
Tribromochloromethane 50.4G2.5 210.9G10.5 Derived from DfH0 1991GUR/VEY

Br–CBr2Cl in ref.
Tetrabromomethane (1) 56.2G1.8 235.1G7.5 (1) Bromination (1) 1971KIN/GOL

Br–CBr3 (2) 57.9G4.2 242.3G8.4 (2) Derived from (2) 1996NIST
DfH0 in ref.
(3) 54.7G2.3 228.9G9.6 (3) Review (3) 2001LAZ/PRO
Tribromomethane (1) 64.8 271.1 (1) ECD (1) 1989CHE/ALB

Br–CHBr2 (2) 65.7G3.1 274.9G13.0 (2) Review (2) 2001LAZ/PRO
Dibromomethane (1) 69.8G2 292.0G8.4 (1) Bromination (1) 1987TSC/PAD

Br–CH2Br (2) 65.8 275.3 (2) ECD (2) 1989CHE/ALB
(3) 60.0 250.9 (3) PI (3) 1996LI/RAN(b)
(4) 69.3G2.4 290.0G10.0 (4) Review (4) 2001LAZ/PRO
Bromotriiodomethane 62.6G11 262G46 Derived from DfH0 1991GUR/VEY

Br–CI3 in ref.
Bromodiiodomethane 67G9 280G38 Derived from DfH0 1991GUR/VEY

Br–CHI2 in ref.
Bromoiodomethane (1) 67.3G6.5 282G27 (1) Derived from (1) 1991GUR/VEY

Br–CH2I DfH0 in ref.
Bromomethane 70.3G0.5 294.1G2.1 Derived from DfH0 1986PED/NAY

Br–CH3 in ref.
Bromoethyne 98.1 410.5 Derived from DfH0 1996NIST

Br–CbCH in ref.
(Z)-1,2-dibromoethylene !83.8 !350.6 ECD 1989CHE/ALB

(Z)-CHBraCH–Br
(continued)
BDEs (boldfaceZ
recommended data;
The broken bonds
(E)-1,2-dibromoethylene !83.3 !348.5 ECD 1989CHE/ALB

(E)-CHBraCH–Br
Vinyl bromide (1) 79.4G1.5 332.2G6.3 (1) Derived from (1) 1986PED/NAY
Br–CHaCH2 DfH0 in ref.
(2) 77G3 322.2G12.6 (2) PD (2) 1989WOD/HIN
(4) 79.2G0.7 331.2G2.8 (4) PFI-PEPICO (4) 2004QIA/LAU(b)
(5) 79.6G0.7 333.2G3.1 (5) TREPICO (5) 2006LAG/BAE
2-Bromoethanenitrile 56.8 237.7 Est. by exp. 2004ISS/GEN

Br–CH2CN
Bromopenta (1) 68.6G1.5 287.0G6.3 (1) Kinetics (1) 1972FER/WHI

fluoroethane (2) 68.8 287.9 (2) Derived (2) 1983EVA/WEE
Br–CF2CF3 (3) 67.7G1.5 283.3G6.3 (3) Derived from (3) 2002CRC
DfH0 in ref.
1,1-Dibromo-1-chloro-2,2,2- 60.0G1.5 251.0G6.3 Review 1982MCM/GOL

trifluoroethane
Br–CClBrCF3
1,2-Dibromo-1,1,2,2- 67.6G1.6, 0 K 282.8G6.7 UV photolysis 1989NAT/MIN

tetrafluoroethane
Br–CF2CF2Br
1-Bromo-1-chloro-2,2,2- 65.7G1.5 274.9G6.3 Review 1982MCM/GOL

trifluoroethane
Br–CHClCF3
1-Bromo-1,1-difluoroethane 68.6G1.3 287.0G5.4 Kinetics 1977PIC/ROD

Br–CF2CH3
1-Bromo-2-chloroethane 69.9G2.0 292.5G8.4 Derived from DfH0 1988LIA/BAR

Br–CH2CH2Cl in ref.
1,1-Bromochloroethane 65G2 272.0G8.4 Derived from DfH0 1988LIA/BAR

Br–CHClCH3 in ref.
Bromoethane (1) 70.0G1.0 292.9G4.2 (1) Derived from (1) 1986PED/NAY

Br–C2H5 DfH0 in ref.
3-Bromo-1-propene (1) 56.7G1.2 237.2G5.0 (1) Derived from (1) 1986PED/NAY

Br–CH2CHaCH2 DfH0 in ref.
(E)-1-bromo-1-propene (1) 80.0G1.2 334.7G5.0 (1) Derived from (1) 1986PED/NAY

(E)-Br–CHaCHCH3 DfH0 in ref.
(2) 80.9G1.2 338.5G5.0 (2) Derived (2) 2002MOR/MIL
(Z)-1-bromo-1-propene (1) 80.7G1.2 337.6G5.0 (1) Derived from (1) 1986PED/NAY

(Z)-Br–CHaCHCH3 DfH0 in ref.
1-Bromopropane (1) 71.3G1.0 298.3G4.2 (1) Derived from (1) 1986PED/NAY

Br–nC3H7 DfH0 in ref.
2-Bromopropane (1) 71.5G1.5 299.2G6.3 (1) Derived from (1) 2002CRC

Br–iso-C3H7 DfH0 in ref.
1,3-Dibromopropane 77.6 324.7 ECD 1989CHE/ALB

Br–CH2CH2CH2Br
1-Bromo-heptafluoropropane 66.5G2.5 278.2G10.5 Kinetics 1967COO/WHI

Br–CF2CF2CF3
(continued)
BDEs (boldfaceZ
recommended data;
The broken bonds
2-Bromo-heptafluoropropane (1) 65.5G1.1 274.2G4.6 (1) Review (1) 1982MCM/GOL

CF3CFBrCF3 (2) 65.4 273.8 (2) Kinetics (2) 1983EVA/WEE
1,1,1-Tribromopropane 60.8 254.4 Correlation 1995DEN

Br–CBr2CH2CH3
1-Bromobutane (1) 70.9G1 296.6G4.2 (1) Derived from (1) 1986PED/NAY

Br–nC4H9 DfH0 in ref.
1-Bromo-2-methyl-propane 70.5 295.0 Correlation 2003KRO/TUM

Br–CH2CH(CH3)2
2-Bromobutane (1) 71.7G1 300.0G4.2 (1) Derived from (1) 1986PED/NAY

Br–sec-C4H9 DfH0 in ref.
2-Bromo-2-methylpropane (1) 70.0G1.5 292.9G6.3 (1) Derived from (1) 1986PED/NAY

Br–tert-C4H9 DfH0 in ref.
3-Bromo-but-1-nen 55.7 233.1 Correlation 2003KRO/TUM

CH2aCHCHBrCH3
4-Bromo-but-1-nen 68.1 284.8 Correlation 2003KRO/TUM

Br–CH2CH2CHaCH2
1-Bromo-alkanes
Br–CnH2nC1
nZ5 (1) 70.5G1 295.0G4.2 (1) Derived from (1) 1986PED/NAY
DfH0 in ref.
6 (1) 70.1G1 293.3G4.2

(2) 71.7 300.1
7 (2) 71.4 298.8
8 (2) 71.1 297.3
12 (2) 71.2 297.8
16 (2) 70.5 294.8
18 (2) 69.9 292.5
2-Bromo-alkanes
Br–CH(CH3)(CnH2nC1)
4 71.0 296.9
5 71.1 297.3
6 70.8 296.3
1-Bromo—2, 71.3 298.2 Correlation 2003KRO/TUM

2-dimethyl-propane
Br–CH2C(CH3)3
2-Bromo-2-methyl-butane 68.7 287.6 Correlation 2003KRO/TUM

(CH3)2CBrC2H5
Bromo-cyclo-heptane 69.6 291.1 Correlation 2003KRO/TUM

Br–cyclo-C5H9
Bromo-cyclo-hexane 69.9 292.4 Correlation 2003KRO/TUM

Br–cyclo-C6H11
1-Adamantyl bromide 70.8 296.1 Derived from DfH0 2005BAZ/KAB

Br–1-adamantyl in ref.
1-Bromodispiro
[2.1.2.0]heptane
H
Br
(continued)
BDEs (boldfaceZ
recommended data;
The broken bonds
1-Bromodispiro[2.1.2.1]octane
H
Br 71.2 297.9 Correlation 2005DEN/TUM
Bromopentafluorobenzene w78.4 w328 Derived 1996ING/WEI

Br–C6F5
Bromobenzenes, substituted
Br
Y (1) 83.5G2.5 349.4G10.5 (1) ECD (1) 1989CHE/ALB
YZH (2) 80.4G1.5 336.4G6.3 (2) Derived from (2) 1986PED/NAY
DfH0 in ref.
2-F (3) 82.0 343.1 (3) Correlation (3) 1995DEN
2-Me (3) 83.9 351.0
3-CF3 (3) 79.9 334.3
Bromotoluenes, substituted
(1) 60.0G3 251.0G12.6 (1) Derived from (1) 1986PED/NAY
CH2 Br DfH0 in ref.
Y (2) 55.9 233.9 (2) Electrochemical (2) 1992AND/GOR
YZp-H (3) 55.1G2.5 230.5G10.5 (3) Derived from (3) 1996NIST
DfH0 in ref.
(4) 60.7G1 254G4 (4) PAC (4) 1997LAA/BOR
p-F (6) 58.9 246.4 (6) AOP (6) 1993ZHA
p-Br (6) 57.6 241.0
p-CN (1) 60.9G1 255G4
(6) 54.4 227.6
p-Me (6) 59.7 249.8
p-tert-Bu (1) 60.0G1 251G4
m-CF3 (1) 60.9G1 255G4
(1-Bromovinyl)benzene 63.4 265.3 Correlation 1995DEN

CH2aCHBrPh
(2-Bromovinyl)benzene 65.1 272.4 Correlation 1995DEN

Br–CHaCHPh
Benzyl bromide 53.8G1.5 225.1G6.3 TCT 1980KOM/KRE

Br–CH2C6F5
(1,2,2,2-Tetraethyl)benzene 60.3 252.3 Correlation 1995DEN

Br–CBr2CHBrPh
(2-Bromoethyl)benzene 64.1 268.3 Correlation 2003KRO/TUM

Br–CH2CH2C6H5
1-Bromoethylbenzene 57.4G2 240.1G8.2 Derived 2003VER/KRA

C6H5CH(CH3)–Br
(1-Bromo-isopropyl)benzene 56.6G1.6 236.7G6.9 Derived 2003VER/KRA

C6H5C(CH3)2–Br
1-Bromonaphthalene (1) 79.3 331.8 (1) ECD (1) 1989CHE/ALB

Br–1-C10H7 (2) 81.2 339.7 (2) Derived (2) 1998GAL/PAU
2-Bromonaphthalene 81.7 341.8 Derived 1998GAL/PAU

Br–2-C10H7
(1,2-Dibromo-2-phenylethyl)- 62.9 263.2 Correlation 1995DEN

benzene
(PhCHBr)2
9-Anthracenyl bromide 77.1 322.6 Derived 1998GAL/PAU

Br–anthracenyl
Acetyl bromide (1) 64 267.8 (1) Photolysis (1) 1995SU/DIB

Br–C(O)CH3 (2) 69.8G2 292.0G8.4 (2) Derived from (2) 2002CRC
DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
The broken bonds
Benzoyl bromide (1) 64.1 268.2 (1) Review (1) 1970ONE/BEN

Br–C(O)C6H5 (2) 66.1G2 276.6G8.4 (2) Derived from (2) 1994PED
DfH0 in ref.
1-Bromoacetone (1) 62.5 261.5 (1) VLPP (1) 1978ZAB/BEN

Br–CH2C(O)CH3 (2) 61.6G2.5 257.9G10.5 (2) Derived from (2) 1996NIST
DfH0 in ref.
2-Bromo-1-phenylethan-1-one 64.8 271 VLPP 1999DOR/HEM

Br–CH2C(O)C6H5
2-Bromoacetic acid (1) 61.5G0.9 257.4G3.7 (1) Calorimetry (1) 2001LAG/DIO

Br–CH2C(O)OH (2) 58.2G3 243.5G12.6 (2) Derived from (2) 2001DOR/NOV
DfH0 in ref.
2,2,2-Tribromoacetic acid 60.8 254.4 Correlation 1995DEN

Br–CBr2C(O)OH
2-Bromopropanoic acid 61.3 256.3 Correlation 2003KRO/TUM

CH3CHBrC(O)OH
3-Bromopropanoic acid 66.0 276.3 Correlation 2003KRO/TUM

Br–CH2CH2C(O)OH
Ethyl 2,2-dibromoacetate 62.9 263.2 Correlation 1995DEN

Br–CHBrC(O)OC2H5
Ethyl 2,2,2-tribromoacetate 58.9 246.4 Correlation 1995DEN

Br–CBr2C(O)OC2H5
Diethyl 2-bromopropane-1,3- 63.5 265.7 Correlation 1995DEN

dioate
Br–CH(C(O)OEt)2
Diethyl 2,2-dibromopropane- 61.4 256.9 Correlation 1995DEN

1,3-dioate
Br–CBr(C(O)OEt)2
Bromotrinitromethane (1) 52.9 221.2 (1) Derived (1) 1994NAZ/MAN

Br–C(NO2)3 (2) 52.2 218.4 (2) Derived from (2) 1996NIST
DfH0 in ref.
Br–C 76.0G2 318.0G8.4 Derived This volume

–CBr 71.3G2 298.3G8.4
–CF2 36.9G3.5 154.4G14.6
–CClF 42.6G3.5 178.2G14.6
–CCl2 51.1G2.5 213.8G10.5
–CClBr 51.5G2.5 215.5G10.5
–CBr2 55.1G2 230.5G8.4
–CHCl 70.5G2.5 295.0G10.5
–CH2 79.1G0.7 331.0G2.9
Br–CH2C%H2 6.9G2 28.9G8.4 Derived from DfH0 1996NIST

–CH2C%HCH3 8.5G2 35.6G8.4 in ref.
5.4 C–I bonds

Table 5.4 C–I BDEs
BDEs (boldfaceZ
recommended data;
The broken bonds
Cyanogen iodide (1) 72.5G1.2 303.3G5.0 (1) AP (1) 1978DAY/GOW

I–CN (2) 76.5 320.1 (2) Der. from (2) 2002CRC
DfH0 in ref.
(continued)
Table 5.4 (continued) C–I BDEs
BDEs (boldfaceZ
recommended data;
The broken bonds
Trifluoroiodomethane (1) 52.6G1.1 220.1G4.6 (1) Kinetics (1) 1975OKA/WHI

I–CF3 (2) 53.5 223.8 (2) Kinetics (2) 1984AHO/WHI
(3) 54.4G0.5 227.6G2.1 (3) Kinetics (3) 1991SKO/DYM
(4) 54.3G0.3 227.2G1.3 (4) PIMS (4) 1997ASH/RUS
Difluoroiodomethane 57.3G6 240G25 Derived from 1991GUR/VEY

I–CHF2 DfH0 in ref.
Fluoroiodomethane 55.6G6 233G25 Derived from 1991GUR/VEY

I–CH2F DfH0 in ref.
Difluorochloroiodo 49.6G6.5 208G27 Derived from 1991GUR/VEY

I–CClF2
Difluorobromoiodo 49.5G5 207G21 Derived from 1991GUR/VEY

I–CF2Br
Difluorodiiodomethane (1) %53, at 0 K %222 PD (1) 1991WAN/FEL

I–CF2I (2) %51.3G2 %214.6G8 (2) 1993BAU/FEL
Fluorodichloroiodo 47.2G5.5 197G23 Derived from 1991GUR/VEY

I–CCl2F
Fluorochloroiodo 52.8G5.5 221G23 Derived from 1991GUR/VEY

I–CHClF
Trichloroiodomethane 40.1G10 168G42 Derived from 1991GUR/VEY

I–CCl3 DfH0 in ref.
Dichloroiodomethane 45.1G5 189G21 Derived from 1991GUR/VEY

I–CHCl2 DfH0 in ref.
Chloroiodomethane (1) 48.8G0.2 204.2G0.8 (1) Kinetics (1) 1996SKO/DYM

I–CH2Cl (2) 52.0G0.9 217.4G3.6 (2) TPEPICO (2) 2005LAG/KER
(3) 53G1 221.8G4.2 (3) UVPD (3) 2005ZHA/NG
Bromochlorofluoroiodo 46.9G5.5 196G23 Derived from 1991GUR/VEY

I–CFClBr
Bromochloroiodo 44.7G5.5 187G23 Derived from 1991GUR/VEY

I–CHClBr
Bromodichloroiodo 40.8G5.5 171G23 Derived from 1991GUR/VEY

I–CBrCl2
Dibromochloroiodo 37.0G6.5 155G27 Derived from 1991GUR/VEY

I–CBr2Cl
Tribromoiodomethane 36.4G6.5 152G27 Derived from 1991GUR/VEY

I–CBr3 DfH0 in ref.
Dibromoiodomethane 44.2G6.5 185G27 Derived from 1991GUR/VEY

I–CHBr2 DfH0 in ref.
Bromoiodomethane (1) 52.1G6.5 218G27 (1) Derived from (1) 1991GUR/VEY

I–CH2Br DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
The broken bonds
Tetraiodomethane 45.8G12 192G50 Derived from 1991GUR/VEY

I–CI3 DfH0 in ref.
Triiodomethane 52.7G8 220.5G33 Derived from 1991GUR/VEY

I–CHI2 DfH0 in ref.
Diiodomethane (1) 51.9G2 217.1G8.4 (1) Der. from (1) 1993CAR/LAY

I–CH2I DfH0 in ref.
(2) 50.6 211.7 (2) Correlation (2) 1995DEN
Iodomethane (1) 57.1G0.5 238.9G2.1 (1) Der. from (1) 1986PED/NAY

I–CH3 DfH0 in ref.
(2) 55.6G0.5, 0 K 232.5G1.9 (2) Photo (2) 1999EPP/PAR
dissociation
2-Iodoethanenitrile 44.7G1.5 187.0G6.3 PES 2000LAF/SZA

I–CH2CN
Pentafluoroiodoethane (1) 51.2G1 214.2G4.2 Kinetics (1) 1976WU/ROD

I–CF2CF3 (2) 52.3 218.8 (2) 1984AHO/WHI
(3) 52.4G0.5 219.2G2.1 (3) 1991SKO/DYM
1,2-Diiodo-1,1,2,2- 52G1.6, at 0 K 217.6G6.7 UV photolysis 1984KRA/BUT

tetrafluoro ethane
I–CF2CF2I
1,1,1-Trifluoro-2- (1) 56.3G1 235.6G4.2 (1) Iodination (1) 1973WU/ROD

iodoethane (2) 52.9 221.3 (2) Correlation (2) 1995DEN
I–CH2CF3
1-Chloro-1,1,2-trifluoro- 48.3G0.5 202G2 Kinetics 1998SKO/DYM

2-iodo-ethane
I–CHFCClF2
1,1-Difluoro-1- 52G1 217.6G4.2 Review 1982MCM/GOL

iodoethane
I–CF2CH3
1-Fluoro-1,1- 52.1G1 218.0G4.2 Iodination 1976PIC/ROD

diiodoethane
I–CFICH3
1-Chloro-2-iodo-ethane 54.2 226.8 Correlation 1995DEN

I–CH2CH2Cl
1-Chloro-2-bromoethane 53.0 221.8 Correlation 1995DEN

I–CH2CH2Br
Pentafluoro-2- 51.4 215.1 Kinetics 1984AHO/WHI

iodopropane
CF3CFICF3
Iodoethyne 78.8 329.9 Correlation 2003KRO/TUM

I–CCH
Iodoethylene (1) 61.9G1.0 259.0G4.2 (1) PF (1) 1989CAO/ZHA

I–CHaCH2 (2) 66.0 276.3 (2) Correlation (2) 2003KRO/TUM
Iodoethane (1) 55.8G1.5 233.5G6.3 (1) Der. from (1) 1986PED/NAY

I–C2H5 DfH0 in ref.
3-Iodo-prop-1-yne 44.1 184.6 Correlation 2003KRO/TUM

I–CH2CCH
(continued)
BDEs (boldfaceZ
recommended data;
The broken bonds
3-Iodo-1-propene (1) 44.4G1.5 185.8G6.3 (1) Der. from (1) 1986PED/NAY

I–CH2CHaCH2 DfH0 in ref.
(Z)-1-iodo-1-propene (1) 68.6G2 287.0G8.4 (1) Der. from (1) 1986PED/NAY

I–CHaCHCH3 DfH0 in ref.
(E)-1-iodo-1-propene (1) 67.0G2 280.3G8.4 (1) Der. from (1) 1986PED/NAY

I–CHaCHCH3 DfH0 in ref.
1-Iodopropane (1) 56.6G1 236.8G4.2 (1) Der. from (1) 1986PED/NAY

I–nC3H7 DfH0 in ref.
2-Iodopropane (1) 56.1G1.5 234.7G6.3 (1) Der. from (1) 1986PED/NAY

I–iso-C3H7 DfH0 in ref.
1,3-Diiodopropane 54.4 227.6 Correlation 1995DEN

I–CH2CH2CH2I
1-Iodononafluorobutane 49.2 205.8 Kinetics 1991SKO/DYM

I–C4F9
1-Iodo-2-methyl-propane 57.3 239.8 Correlation 2003KRO/TUM

I–iso-C4H9
2-Iodobutane 56.9 238.0 Correlation 2003KRO/TUM

I–sec-C4H9
2-Iodo-2-methylpropane (1) 54.3G1.5 227.2G6.3 (1) Der. from (1) 1986PED/NAY

I–tert-C4H9 DfH0 in ref.
3-Iodo-but-1-nen 40.3 168.7 Correlation 2003KRO/TUM

CH3CHICHaCH2
4-Iodo-but-1-nen 55.8 233.7 Correlation 2003KRO/TUM

I–CH2CH2CHaCH2
1-Iodo-alkanes
I–CnH2nC1
5 56.3 235.7
6 56.4 236.0
7 56.2 235.2
8 56.1 234.9
12 56.1 234.9
16 56.2 234.9
18 56.1 234.9
1-Iodo-2,2- 57.1 239.1 Correlation 2003KRO/TUM

imethylpropane
I–CH2C(CH3)3
2-Iodo-alkanes
CH3CHICnH2nC1
4 55.5 232.4
5 55.7 233.2
6 55.4 231.8
2-Iodo-2-methyl-butane 54.3 227.0 Correlation 2003KRO/TUM

(CH3)2CIC2H5
(continued)
BDEs (boldfaceZ
recommended data;
The broken bonds
Iodo-cyclo-propane 64.5G2 269.9G8.4 Review 2001ARN/COS

I–cyclo-C3H5
Iodo-cyclo-heptane 55.4 231.8 Correlation 2003KRO/TUM

I–cyclo-C5H9
Iodo-cyclo-hexane (1) 55.5G1.5 232.2G6.3 (1) Der. from (1) 1986PED/NAY

I–cyclo-C6H11 DfH0 in ref.
Iodobenzene 65.0G1 272.0G4.2 Derived from 1986PED/NAY

I–C6H5 DfH0 in ref.
Pentafluoroiodobenzene (1) 65.4G2 273.6G8.4 (1) TCT (1) 1976KOM/KRE

I–C6F5 (2) !72.1 !301.7 (2) ECD (2) 1989CHE/ALB
Iodobenzenes
substituted
I
Y
YZ2-F (1) 65.9 275.7 Correlation (1) 1995DEN

(2) 67.4 281.9 (2) 2003KRO/TUM
2-Cl (1) 65.1 272.4
2-Br (1) 64.2 268.6
(2) 65.5 273.9
2-I (1) 63.6 266.1
(2) 67.3 281.6
2-Me (1) 65.7 274.9
(2) 67.2 281.0
2-CF3 (1) 63.2 264.4
2-NH2 (1) 66.7 279.1
(2) 70.3 294.3
2-NO2 (1) 65.6 274.5

2-MeO (1) 66.6 278.7
(2) 68.0 284.7
2-Et (1) 65.5 274.1
(2) 67.0 280.2
2-EtO (1) 66.7 279.1
(2) 68.0 284.6
2-Ph (1) 64.8 271.1
(2) 66.2 276.8
2,6-Me2 (1) 65.9 275.7
(2) 67.4 281.8
Benzyl iodide (1) 45.4 190.0 (1) Shock wave (1) 1990HIP/TRO
I–CH2C6H5 (2) 43.9G2 183.7G8.4 (2) Der. from (2) 1996NIST
DfH0 in ref.
(2-Iodoethyl)benzene 54.9 229.7 Correlation 1995DEN

I–CH2CH2C6H5
(1-Iodoethyl)benzene 42.1G1 176.1G4.3 Derived 2003VER/KRA

C6H5CH(CH3) –I
(1-Iodo- 42.1G1 176.1G4.3 Derived 2003VER/KRA

isopropyl)benzene
C6H5C(CH3)2–I
1-Iodonaphthalene (1) 65.6G2.5 274.5G10.5 (1) Der. from (1) 1986PED/NAY

I–1-naphthyl DfH0 in ref.
(2) 65.0 272.0 (2) Derived (2) 1998GAL/PAU
2-Iodonaphthalene (1) 65.0G2.5 272.0G10.5 (1) Der. from (1) 1986PED/NAY

I–2-naphthyl DfH0 in ref.
(2) 66.3 277.4 (2) Derived (2) 1998GAL/PAU
(continued)
BDEs (boldfaceZ
recommended data;
The broken bonds
1-Adamantyl iodide 53.7 224.7 Correlation 1995DEN

I–1-adamantyl
Iodoacetonitrile 44.7G2.0 187.0G8.4 Derived from 2000LAF/SZA

I–CH2CN DfH0 in ref.
Iodomethyl methyl ether 54.8G2 229.4G8.4 Derived from 198NIST

I–CH2OCH3 DfH0 in ref.
Iodomethyl methyl 51.8G1.5 216.8G6.3 Derived from 1996NIST

sulfide DfH0 in ref.
I–CH2SCH3
Acetyl iodide 53.3G2 223.0G8.4 Derived from 2002CRC

I–C(O)CH3 DfH0 in ref.
3-Iodo-2butanone 46.9G2 196.3G8 Derived from 1996NIST

I–CH(CH3)C(O)CH3 DfH0 in ref.
Benzoyl iodide 50.7G2 212.1G8.4 Derived from 1994PED

I–C(O)C6H5 DfH0 in ref.
Iodoacetic acid (1) 51.2 214.2 (1) Correlation (1) 1995DEN

I–CH2C(O)OH (2) 47.2G0.6 197.5G2.7 (2) Calorimetry (2) 2001LAG/DIO
3-Iodopropanioc acid 54.5 228.0 Correlation 1995DEN

I–CH2CH2C(O)OH
Ethyl 2-iodoacetate 51.9 217.1 Correlation 1995DEN

I–CH2C(O)OC2H5
Iodotrinitromethane (1) 34.7 145.0 (1) Derived (1) 1994NAZ/MAN

I–C(NO2)3 (2) 34.6 144.8 (2) Der. from (2) 1996NIST
DfH0 in ref.
Thiophene iodide
I S
C–I at 2 site 68.7 287.4 Correlation 2005DEN/TUM

3 68.8 288.0
Pyridine iodide
4 3
I
1 2
N
C–I at 2 site (1) 63.1 264.0 Correlation (1) 1995DEN
3 (1) 65.2 272.8

(2) 66.6 278.6 (2) 2005DEN/TUM
4 (1) 64.9 271.5

(2) 66.3 277.4
I–C 60.5G8.5 253.1G35.6 Derived This volume

–CI 49.8G16 208.4G66.9
–CI2 35.9G14 150.2G60
–CH2 63.9G2.1 267.4G8.8
Note: (1) The BDEs in the clusters and complexes of C–, Si–, Ge–, Sn–, and Pb-ions are listed in Chapter 24. (2) The
BDEs in the clusters and complexes of N–, P–As–, Sb–, and Bi-ions are listed in Chapter 25. (3) The BDEs in the
clusters and complexes of O–, S–, Se–, Te–, and Po-ions are listed in Chapter 26. (4) The BDEs in the clusters and
chapter six
BDEs of O–X bonds
6.1 O–H bonds

6.1.1 O–H bonds in non-phenols
6.1.1.1 O–H bonds in ROH
Table 6.1.1.1 O–H BDEs in ROH
BDEs (boldfaceZ
recommended data;
Water (1) 119.30G0.05 499.15G0.21 (1) Recommended (1) 1994BER/ELL

HO–H (2) 118.88G0.01 497.38G0.06 (2) PD (2) 2000HAR/HWA
DfH0(R)Z8.91G0.1 (3) 118.81G0.07 497.10G0.29 (3) Recommended (3) 2002RUS/WAG
(37.3G0.3) (4) 118.82G0.16 497.14G0.67 (4) Shock tube (4) 2002HER/HAN
O–H (3) 102.75G0.07 429.91G0.29
Oxygen deuteride
DO–D (1) 121.1 506.7 (1) Review (1) 1974GUR/KAR
(2) 121.01G0.06 506.31G0.24 (2) PI (2) 2001HAR/YAN
O–D (3) 102.68 429.64 (3) Spectroscopy (3) 1979HUB/HER
Oxygen tritide
TO–T 122.2 511.3 Review 1974GUR/KAR
O–T 104.4 436.8
Hypofluorous acid 101.6 425.1 Derived from DfH0 in 1998CHA

FO–H ref.
DfH0(R)Z26G2.4 (109G10)
(continued)
255
Table 6.1.1.1 (continued) O–H BDEs in ROH
BDEs (boldfaceZ
recommended data;
Hypochlorous acid 94.1 393.7 Derived from DfH0 in 1998CHA

ClO–H ref.
DfH0(R)Z24.29G0.03
(101.63G0.1)
Hypobromous acid 96.8 405.0 Derived from DfH0 in 2001IUPC

BrO–H ref.
DfH0(R)Z30.2G0.4
(126.2G1.7)
Hypoiodomous acid 96.4 403.3 Derived from DfH0 in 2001IUPC

IO–H ref.
DfH0(R)Z27.7G1.2
(115.9G5.0)
Methanol (1) 104.4G1 436.8G4.2 (1) Kinetics (1) 1974BAT/CHR

CH3O–H (2) 104.2G0.9 436.0G3.8 (2) Recommended (2) 1994BER/ELL
DfH0(R)Z5.0G0.5 (3) 104.9G0.7 439G3 (3) CID (3) 1999DET/ERV
(21.0G2.1) (4) 104.6G0.7 437.7G2.8 (4) GPA, revised (4) 2002ERV/DET
(5) 105.2G0.7 440.2G3 (5) GPA (5) 2003REE/HAR
CD3O–H (6) 104.2G2.2 436G9 (6) PES, derived (6) 2000RAM/DAV
Trifluoromethanol (1) 109 456.1 (1) Pyrolysis (1) 1982BAT/WAL

CF3O–H (2) 120G3 502.1G12.6 (2) FT-IR (2) 1993WAL/HUR
DfH0(R)ZK151.8G1.7 (3) 124.7G3.6 521.7G15.1 (3) FA MS (3) 1996HUE/DUN
(K635.1G7.1) (4) 117.5 491.6 (4) PIMS (4) 1997ASH/APP
(5) 118.8 497.1 (5) Recommended (5) 2000REI/PRA
Ethyn-1-ol 105.9G2.1 443.1 PES 1983OAK/JON

HCbCO–H
Vinyl alcohol (1) 85 355.6 (1) FT-ICR (1) 2001BOU/CHA

CH2aCHO–H (2) 84.1G1.2 352G5 (2) PA (2) 2001BOU/ROO
DfH0(R)Z4.4G0.3 (18.4G1.3)
BDEs of O–X Bonds 257
Ethanol (1) 104.2G1 436.0G4.2 (1) Pyrolysis (1) 1974BAT/CHR

C2H5O–H (2) 104.6G0.8 437.6G3.3 (2) Recommended (2) 1994BER/ELL
DfH0(R)ZK3.3G1.0 (3) 105.2G1.2 440G5 (3) CID (3) 1999DET/ERV
(K13.6G4.0) (4) 104.7G0.8 438.1G3.3 (4) GPA, revised (4) 2002ERV/DET
(5) 105.4G1.4 441.0G5.9 (5) GPA (5) 2003REE/HAR
Ethanol
C2H5O–D (1) %105.9G0.5 %443.1G2.1 (1) PD (1) 1999XU/AMA
CD3CH2O–H (2) 103.9G0.2 437.7G1.0 (2) GPA (2) 1993DAN/MOT
CH3CD2O–H (2) 104.1G0.2 435.6G1.0
CD3CD2O–H (2) 104.1G0.2 435.6G1.0
(3) 104.2G2.4 436G10 (3) PES, derived (3) 2000RAM/DAV
2,2,2-Trifluoroethan-1-ol 107.0G2.5 447.7G10.5 GPA 2003REE/HAR

CF3CH2O–H
1-Propanol (1) 105.9G2 443.1G8.4 (1) Review (1) 1973BEN/ONE

nC3H7O–H (2) 103.4G1 432.6G4.2 (2) Pyrolysis (2) 1974BAT/CHR
DfH0(R)ZK7.2G2 (3) %103.5G0.5 %443G2 (3) PD (3) 2003ZHO/YUA
(K30.1G8.4) (4) 103.2 431.9 (4) Correlation (4) 2005DEN/TUM
2-Propanol (1) 104.7G1 438.1G4.2 (1) Pyrolysis (1) 1974BAT/CHR

iso-C3H7O–H (2) 103.9 434.7 (2) AOP (2) 1996BOR/LIU
DfH0(R)ZK11.6G0.8 (3) 105.9G1.0 443G4 (3) CID (3) 1999DET/ERV
(5) %104.0G0.5 %435G2 (5) PD (5) 2003ZHO/YUA
1,1-Dimethyl-2-chloro- 106.5 445.6 Re-analyzed 2004TUM/DEN(b)

propanol
ClCH2Me2CO–H
1-Butanol (1) 101.9G1 426.3G4.2 (1) Pyrolysis (1) 1974BAT/CHR

nC4H9O–H (2) 103.3 432.3 (2) Correlation (2) 2005DEN/TUM
DfH0(R)ZK15 (K62.8)
2-Butanol (1) 105.5G1 441.4G4.2 (1) Pyrolysis (1) 1974BAT/CHR

sec-C4H9O–H (2) 103.9 434.8 (2) Correlation (2) 2005DEN/TUM
DfH0(R)ZK16.6 (69.5)
(continued)
BDEs (boldfaceZ
recommended data;
tert-Butyl alcohol (1) 105.1G1 439.7G4.2 (1) Pyrolysis (1) 1974BAT/CHR

tert-C4H9O–H (2) 105.5 441.4 (2) AOP (2) 1996BOR/LIU
DfH0(R)ZK20.5G0.9 (3) 105.5 441.4 (3) PAC (3) 2000REI/PRA
(5) 106.8G1.0 446.9G4.2 (5) GPA (5) 2003REE/HAR
Neo-pentyl alcohol (1) 102.3G1 428.0G4.2 (1) Pyrolysis (1) 1974BAT/CHR

tert-BuCH2O–H (2) 104.2 436.1 (2) Correlation (2) 2004TUM/DEN(b)
2,2-Dimethyl-propanol (1) 104.2 436 Correlation (1) 2004TUM/DEN(b)

EtCMe2O–H (2) 105.1 439.7 (2) 2005DEN/TUM
1,1-Dimethyl-butanol 104.1 435.4 Correlation 2004TUM/DEN(b)

nPrCMe2O–H
1,1,2,2-Tetramethyl-ethanol 103.8 434.4 Correlation 2004TUM/DEN(b)

iso-PrCMe2O–H
1,1-Diethyl-ethanol 103.0 431.1 Correlation 2004TUM/DEN(b)

MeCEt2O–H
2,2,3,3-Tetramethyl-propanol 103.6 433.6 Correlation 2004TUM/DEN(b)

Me3CCMe2O–H
2,3,3-Trimethyl-propanol 104.0G2.0 435.1G8.4 GPA 2004FAT/KAS

Me3CCH(Me)CO–H
2-Ethyl-3,3-dimethyl- 104.0G2.0 435.1G8.4 GPA 2004FAT/KAS

propanol
Me3CCH(Et)CO–H
1-Methyl-cyclo-pentan-1-ol
O
Me
cyclo-Penen-1-ol
H
O 103.9 434.8 Correlation 2004TUM/DEN(b)
cyclo-Hexanol
H
Benzyl alcohol (1) 101.7 425.5 (1) AOP (1) 1996BOR/LIU

C6H5CH2O–H (2) 105.8G2.1 442.7G8.8 (2) GPA (2) 2004FAT/KAS
DfH0(R)Z32.5G3
(136.0G12.6)
1,1-Dimethybenzyl alcohol 104.7G0.2 438.2G1.0 Correlation 2006DEN/DEN

C6H5CMe2O–H
1,1-Dimethyl-2-phenyl- 104.2 435.8 Correlation 2004TUM/DEN(b)

propanol
PhCH2CMe2O–H
1,1-Dimethy-p-NO2-benzyl 104.6 437.6 Correlation 2005DEN/TUM

alcohol
p-NO2-C6H4CMe2O–H
1-Adamantanol
O H
1 2 103.1 431.5 Derived 2002MIR/LEB
1,3-cyclo-Hexadione
O O
H 92 384.9 AOP 1994BOR/SAT
(continued)
BDEs (boldfaceZ
recommended data;
Ethane-1,1-diol 106.8G1.5 446.9G6.3 Electrochemical 2002MER/LIN

CH3C(OH)O–H
Propane-2,2-diol 107.7G1.5 450.6G6.3 Electrochemical 2002MER/LIN

(CH3)2C(OH)O–H
Tropolone
O 88 368.2 AOP 1994BOR/SAT
O H
In enols,
R1R2CZCR(OH)
MesZmesityl
R1 R2 R
Mes Mes H 82.2 343.9 AOP 1997BOR/ZHA
Mes Mes Mes 82.6 345.6
Mes Mes Me3Si 82.4 344.8
Mes Mes Ph 79.9 334.3
Mes Mes iPr 78.6 328.9
Mes Mes tBu 78.3 327.6
Mes Ph Mes 83.7 350.2
Me5C6 Me5C6 H 82.3 344.3
H H Me 83.0 347.3
Nitrous acid (1) 78.3G0.5 327.6G2.1 (1) Review (1) 1976BEN

H–ONO (2) 79.0 330.7 (2) Derived from DfH0 (2) 2001IUPAC
DfH0(R)Z7.91 (33.10) in ref.
t,perp-HOONO 71.5 299.2 Derived from DfH0 in 2002HIP/NAS

H–OONO ref.
Hydroxylamine 75–77 314–322 Electrochemical 2006LIN/MER

H–ONH2
Nitric acid (1) 101.2 423.4 Derived from DfH0 in (1) 1998CHA
H–ONO2 (2) 102.0 426.8 ref. (2) 2001IUPAC
DfH0(R)Z17.6 (73.7G1.4)
Hyponitrite 45.2 189 Derived from DfH0 2004POS/SHA

H–ONNOH in ref.
Isocyanic acid
H–ONC 90.3 377.7 Derived 2004JAN/ROS
DfH0(R)Z92.4 (386.6)
HOS radical 54.9G1 229.7G8 Derived from DfH0 2005DEN

H–OS in ref.
DfH0(R)Z1.2G0.3
(5.0G1.3)
Sulfuric acid 105.5G3.5 441.4G14.6 GPA 2004FAT/KAS

H–OSO2OH
DfH0(R)ZK122.3 (K511.7)
HOP radical 60.1G10 252G42 Derived from DfH0 1989GUR/VEY

H–OP in ref.
Metaphosphoric acid 111.3G3.0 465.7G12.6 GPA 2004FAT/KAS

H–OPO2
2,2-Dimethylsilaethanol 118.3 495 Derived 1998BEC/WAL

H–OSiMe3
6.1.1.2 O–H bonds in RC(O)OH

Table 6.1.1.2 O–H BDEs in RC(O)OH
BDEs (boldfaceZ
recommended data;
Formic acid (1) 111.7G0.3 467.5G1.2 (1) PD (1) 1997LAN/BAT

HC(O)O–H (2) 112G3 468.6G12.6 (2) Recommended (2) 2003BLA/ELL
DfH0(R)ZK30G3 (K125.5G12.6) (3) 111.5 466.3 (3) Derived (3) 2004JAN/ROS
Acetic acid (1) 112 468.6 (1) AOP (1) 2000XIA/ZHU

CH3C(O)O–H (2) 110.0 460.2 (2) DEA (2) 2003SAI/PEL
DfH0(R)ZK43G3 (K179.9G12.6) (3) 112G3 468.6G12.6 (3) Review (3) 2003BLA/ELL
(4) 110.1 460.7 (4) Derived (4) 2004JAN/ROS
Chloroacetic acid 109.7 458.9 Correlation 2005DEN/TUM

ClCH2C(O)O–H
Trifluoroacetic acid 108.1G3 452.3G12.6 Derived from DfH0 1996NIST

CF3C(O)O–H in ref.
DfH0(R)ZK90.5 (K797.0)
Propanoic acid (1) 113 472.8 (1) AOP (1) 2000XIA/ZHU

C2H5C(O)O–H (2) 105 439.3 (2) Correlation (2) 2005TUM/DEN
Butanoic acid 105.1 439.8 Correlation 2005DEN/TUM

C3H7C(O)O–H
iso-Butanoic acid (1) 113 472.8 (1) AOP (1) 2000XIA/ZHU

iso-C3H7C(O)O–H (2) 104 435.2 (2) Correlation (2) 2005TUM/DEN
Pentanoic acid 105.7 442.1 Correlation 2005DEN/TUM

C4H9C(O)O–H
iso-Pentanoic acid 104.0 435.2 Correlation 2005DEN/TUM

iso-C4H9C(O)O–H
Hexaanoic acid 105.0 439.3 Correlation 2005DEN/TUM

C5H11C(O)O–H
Heptanoic acid 106.2 444.4 Correlation 2005DEN/TUM

C6H13C(O)O–H
Octanoic acid 104.8 438.5 Correlation 2005DEN/TUM

C7H15C(O)O–H
Nonanoic acid 105.9 443.0 Correlation 2005DEN/TUM

C8H17C(O)O–H
Decanoic acid 104.6 437.8 Correlation 2005DEN/TUM

C9H19C(O)O–H
Dodecanoic acid 106.5 445.8 Correlation 2005DEN/TUM

C11H23C(O)O–H
cyclo-Propanecarboxylic acid
O H
O
cyclo-Butanecarboxylic acid
O H
O
2-cyclo-Butylacetic acid
O
O H
cyclo-Pentanecarboxylic acid
O
O H
(continued)
Table 6.1.1.2 (continued) O–H BDEs in RC(O)OH
BDEs (boldfaceZ
recommended data;
2-cyclo-Pentylacetic acid
O
O H
cyclo-Hexanecarboxylic acid
O
O H
2-cyclo-Hexalacetic acid
O
O H
cyclo-Heptanecarboxylic acid
O
O H
Benzoic acid (1) 105 439.3 (1) AOP (1) 1994BOR/SAT

C6H5C(O)O–H (2) 111 464.4 (2) AOP (2) 2000XIA/ZHU
DfH0(R)ZK12G4 (K50.2G16.7) (3) 112G3 468.6G12.6 (3) Derived (3) 2000WAN/BRO
(4) 111G4 464.4G16.7 (4) Recommended (4) 2003BLA/ELL
Benzoic acids, substituted
O
Y
O
H
YZp-Br (1) 112 468.6 (1) AOP (1) 2000XIA/ZHU
m-Br (2) 107.5 449.6
o-Br (2) 106.5 445.5
p-Cl (2) 105.7 442.1
m-Cl (2) 107.3 448.9
o-Cl (2) 106.4 445.3
p-Me (1) 110 460.2
(2) 107.8 451.1
m-Me (2) 107.2 448.6

o-Me (2) 106.2 444.2
p-MeO (1) 109 456.1
(2) 106.8 447
m-MeO (2) 107.0 447.8
o-MeO (2) 106.0 443.5
p-NO2 (1) 119 497.9
(2) 107.2 448.3
o-NO2 (2) 107.2 448.5
p-t-Bu (1) 107.1 448.2
3,5-Me2 (1) 106.5 445.4
2-Phenylacetic acid 107.1 448.0 Correlation 2005DEN/TUM

PhCH2C(O)O–H
3-Phenylpro–2-ynoic acid 104.4 436.9 Correlation 2005DEN/TUM

PhCbCC(O)O–H
Nicotinic acid, substituted
CH 3OO2C
O
N
111G5 464.4G21 Photodetach. 2000WAN/BRO
C
O H
Pyridium carboxyled species

X
O
C
+N O H
CH 3
XZH 108G5 451.9G21 Photodetach. 2000WAN/BRO

K
C(O)O 115 481.2
Alkoxy acids 103.4G0.6 432.5G2.5 Correlation 2006DEN/DEN

n-PrOC(O)O–H
Alkoxy acids 103.3 431.9 Correlation 2005DEN/TUM

sec-BuOC(O)O–H
6.1.1.3 O–H bonds in ROOH

Table 6.1.1.3 O–H BDEs in ROOH
BDEs (boldfaceZ
recommended data;
Hydroperoxide (1) 88.2G1.0 369.0G4.2 (1) Review (1) 1983SHU/BEN

HOO–H (2) 88.4G1.2 269.9G5.0 (2) GIB MS (2) 1990FIS/RM(b)
DfH0(R)Z3.2G0.5 (3) 87.9G0.8 367.8G3.3 (3) GPA (3) 1998LIT/RUS
(13.4G2.1) (4) 87.8G0.5 367.4G2.1 (4) PES (4) 2002RAM/BLA
(5) 87.49G0.07 366.06G0.29 (5) Derived (5) 2006RUS/PIN
Hydroperoxy radical (1) 48.3G1.2 202.1G5.0 (1) GIB MS (1) 1990FIS/ARM(b)

OO–H (2) 48.8G0.8 204.2G3.3 (2) Derived (2) 1998LIT/RUS
(3) 48.2G0.8 201.7G3.3 (3) Derived from (3) 2001IUPC
DfH0 in ref.
Methyl hydroperoxide (1) 88.5G0.5 370.3G2.1 (1) VLPP (1) 1984KON/BEN(b)

CH3OO–H (2) 87.2 365 (2) Electrochemical (2) 1996JON
DfH0(R)Z4.8G1.2 (20.1G5.0) (3) 87.9G1.1 367.8G4.6 (3) GPA (3) 2001BLA/RAM
(4) 86.0 359.8 (4) Derived (4) 2004JAN/ROS
CD3OO–H (3) 87.8G1.0 367.4G4.2
Trifluoromethyl hydroperoxide 91.5 383 Electrochemical 1996JON

CF3OO–H
DfH0(R)ZK151.8 (K635.0)
Fluoromethyl hydroperoxide 90.6 379 Electrochemical 1996JON
CH2FOO–H
Trichloromethyl hydroperoxide 92.3 386 Electrochemical 1996JON

CCl3OO–H
DfH0(R)ZK5.0G2.1
(K20.9G8.9)
Dichloromethyl hydroperoxide 91.5 383 Electrochemical 1996JON

CHCl2OO–H
DfH0(R)ZK4.6G2.7
(K19.2G11.2)
Chloromethyl hydroperoxide 90.6 379 Electrochemical 1996JON

CH2ClOO–H
DfH0(R)ZK1.2G3.3
(K5.1G13.6)
Tribromomethyl hydroperoxide 91.5 383 Electrochemical 1996JON

CBr3OO–H
Bromomethyl hydroperoxide 90.6 379 Electrochemical 1996JON

CH2BrOO–H
Ethyl hydroperoxide (1) 86.8 363 (1) Electrochemical (1) 1996JON

C2H5OO–H (2) 84.8G2.2 354.8G9.2 (2) GPA (2) 2001BLA/RAM
DfH0(R)ZK6.8G2.3 (3) 85.7 358.7 (3) Derived (3) 2004JAN/ROS
(K28.5G9.6)
2-Chloroethyl hydroperoxide 90.1 377 Electrochemical 1996JON

CH3CHClOO–H
DfH0(R)ZK13.1G0.8
(K54.7G3.4)
2,2-Dichloroethyl hydroperoxide 91.5 383 Electrochemical 1996JON

CH3CCl2OO–H
DfH0(R)ZK15.2G2.3
(K63.8G9.6)
1,1,1-Trifluoro-2-chloroethyl 91.8 384 Electrochemical 1996JON

hydroperoxide
CF3CHClOO–H
(continued)
Table 6.1.1.3 (continued) O–H BDEs in ROOH
BDEs (boldfaceZ
recommended data;
1,1,2,2-Tetrachloroethyl 98.4 411.6 Correlation 2004DEN/DEN

hydroperoxide
CHCl2CCl2OO–H
Pentachloroethyl hydroperoxide (1) 91.5 383 (1) Electrochemical (1) 1996JON

C2Cl5OO–H (2) 98.7 413.1 (2) Correlation (2) 2004DEN/DEN
iso-Propyl hydroperoxide (1) 85.1 356 (1) Electrochemical (1) 1996JON

iso-C3H7OO–H (2) 84.9 355.1 (2) Derived (2) 2004JAN/ROS
DfH0(R)ZK15.6G2.7
(K65.4.G11.3)
Allyl hydroperoxide (1) 89 372.4 (1) Photolysis (1) 1981RUI/BAY

CH2aCHCH2OO–H (2) 86.8 363 (2) Electrochemical (2) 1996JON
DfH0(R)Z21.2 (88.7)
tert-Butyl hydroperoxide (1) 89.4 374 (1) VPPR (1) 1983HEN/BEN

tert-C4H9OO–H (2) 88.2 369 (2) Review (2) 1997BEN/COH
DfH0(R)ZK24.3G2.2 (3) 85G2 355.6G8.4 (3) PES (3) 1998CLI/WEN
(K101.5.G9.2) (4) 84.2G2.1 352.3G8.8 (4) GPA (4) 2001BLA/RAM
(5) 84.7 354.2 (5) Derived (5) 2004JAN/ROS
Alkyl hydroperoxides
RCH2OO–H 87.4 365.5 Correlation 2005DEN/TUM
R2CHOO–H 87.4 365.5
R3COO–H 85.7 358.6
2-Hydroperoxycyclohexan-1-one
OO H
88.4 369.8 Correlation 2004DEN/DEN(b)
O
Benzyl hydroperoxide 86.8 363 Electrochemical 1996JON

C6H5CH2OO–H
DfH0(R)Z27.4G1 (114.6G4.2)
p-NO2-benzyl hydroperoxide 87.5 366 Electrochemical 1996JON

p-NO2-C6H4CH2OO–H
Diphenylmethyl hydroperoxide 88.4 370 Electrochemical 1996JON

(C6H5)2CHOO–H
Phenyl hydroperoxide,
substituted
O
O H
Y
YZH 91.8 384 Electrochemical 1996JON

p-Cl 92.0 385
p-Me 91.5 383
p-OH 91.3 382
p-CN 92.1 385
p-Ph 93.2 390
p CO2K 92.0 385
Methaneperoxycarboxylic acid (1) 92.3 386 (1) Electrochemical (1) 1996JON

CH3C(O)OO–H (2) 91.0 380.8 (2) Derived (2) 2004JAN/ROS
DfH0(R)ZK36.9G1.4
(K154.4G5.8)
Benzeneperoxycarboxylic acid 96.5 403.9 Correlation 2004DEN/DEN

C6H5C(O)OO–H
2,2-Dichloro–2-hydro- 91.8 384 Electrochemical 1996JON

peroxyethane
CCl2(CN)OO–H
Hydroperoxymethan-ol 88.0 368 Electrochemical 1996JON

OHCH2OO–H
(continued)
Table 6.1.1.3 (continued) O–H BDEs in ROOH
BDEs (boldfaceZ
recommended data;
2-Hydroperoxypropan-ol 86.5 362 Electrochemical 1996JON

(CH3)2C(OH)OO–H
1-Hydroperoxyacetone 88.0 368 Electrochemical 1996JON

CH3C(O)CH2OO–H
a-CO2K-methyl hydro 87.5 366 Electrochemical 1996JON

- peroxide
ðCO2KÞCH2 OO H
2-Hydroperoxyethanenitrile 89.9 376 Electrochemical 1996JON

(CN)CH2OO–H
a-CO2K-chloromethyl 90.3 378 Electrochemical 1996JON

hydroperoxide
ðCO2KÞCHClOO H
a-CO2K-dichloromethyl 90.3 378 Electrochemical 1996JON

hydroperoxide
ðCO2KÞCCl2 OO H
2,2-Dichloro-2- 91.8 384 Electrochemical 1996JON

hydroperoxyethanenitrile
(CN)CCl2OO–H
Naphth-1-yl hydroperoxide 93.9 393 Electrochemical 1996JON

1-C10H7OO–H
Naphth-2-yl hydroperoxide 93.2 390 Electrochemical 1996JON

2-C10H7OO–H
9-Anthracenyl hydroperoxide 93.9 393 Electrochemical 1996JON

9-C14H9OO–H
Hydroperoxides
RPhC(OH)OO–H 86.0 359.8 Correlation 2005DEN/TUM
ROCH(R)OO–H 87.8 367.3
R3CC(O)OO–H 90.1 376.9
Hydroperoxides
PhC(O)OO–H 96.5 403.8 Correlation 2005DEN/TUM
RC(O)OO–H 92.5 387.1
RC(O)CH(R)OO–H 88.4 369.8
ROCH(Ph)OO–H 89.6 374.8
RC(O)OCH(Ph)OO–H 90.0 376.4
R2CHOC(R)2OO–H 85.7 358.4
Cyclic hydroperoxides
O OO H 87.9 367.6 Correlation 2004DEN/DEN
O
H 90.1 376.9
O O
O O
H 88.4 369.8
O
OO H
86.5 362.1
OH
6.1.2 O–H bonds in oximes and hydrolamines

Table 6.1.2 O–H BDEs in Oximes and Hydrolamines
BDEs (boldfaceZ
recommended data;
(boldfaceZdissociated atom) DfH0(R), (reference in
Oxime 83.4 348.9 Recommended 2004PRA/BLA

H2CaNO–H
Oximes
H H
C N O
R
RZMe (E-isomer) (1) 98.2 410.9 (1) AOP (1) 1992BOR/JI
(2) 84.7 354.4 (2) Recommended (2) 2004PRA/BLA
Me (Z-isomer) (2) 82.6 345.6
CF3 (E-isomer) (2) 84.4 353.1
CF3 (Z-isomer) (2) 82.2 343.9
Et (1) 98.1 410.5
CH3CO (1) 89.6 374.9
PhCO (1) 88.9 372.0
NH2 (1) 88.8 371.5
Oximes
R1 H
C N O
R2
R1ZMe R2ZMe (1) 95.8 400.8 (1) AOP (1) 1992BOR/JI
Et Et (1) 92.3 386.2
(2) 90.6 379.1
(3) 83.8 350.6
iPr rPr (2) 86.0 359.8

(3) 82.7 346
(4) 87.7 366.9
Me tBu (4) 91.1 381.2 (4) AOP (4) 1995BOR/ZHA(b)
iPr tBu (2) 84.3 352.7
(3) 81.5 341.0
(5) 84.3 352.7 (5) EPR (5) 1973MAH/MEN
(6) 86.0 359.8 (6) AOP (6) 1996BOR/LIU
tBu tBu (2) 80.9 338.5
(3) 77.6 324.7
(4) 84.2 352.3
(5) 80.9 338.5
(6) 82.6 345.6
tBu c-C5H9 (4) 90.7 379.5
Ph Ph (1) 89.0 372.4

(3) 81.6 341.4
PhCH2 PhCH2 (1) 89.1 372.8
Me Et2NCH2 (1) 91.4 382.4
Me NH2 (1) 86.7 362.8
Ph NH2 (1) 86.9 363.6
cyclo-Hexanone, oximes (1) 90.3 377.8 (1) AOP (1) 1995BOR/ZHA(b)

cyclo-C5H10CaNO–H (2) 88.6 370.7 (2) Correlation (2) 2000DEN/DEN
cyclo-Undercanane, oximes 90.3 377.8 AOP 1992BOR/JI

cyclo-C11H22CaNO–H
Oximes, substituted
(E)–(tBu)(1-Ad)CaNO–H (1) 80.0 334.7 (1) EPR (1) 1973MAH/MEN
AdZadamantyl (2) 81.7 341.8 (2) AOP (2) 1995BOR/ZHA(b)
(Z)–(tBu)(1-Ad)CaNO–H (3) 76.9 321.7
(E)–PhCHaNO–H (2) 90.2 377.4
(3) 83.9 351.0
(Z)–PhCHaNO–H (2) 86.9 363.6
(3) 79.4 332.2
(E)–p-MeC6H4CHaNO–H (2) 89.0 372.4
(Z)–p-MeC6H4CHaNO–H (2) 86.5 361.9
(E)–p-MeOC6H4CHaNO–H (2) 89.9 376.1
(Z)–p-MeOC6H4CHaNO–H (2) 87.5 366.1
(E)–m-NO2–C6H4CHaNO–H (2) 88.6 370.7
(Z)–m-NO2C6H4CHaNO–H (2) 86.9 363.6
(E)–p-NO2C6H4CHaNO–H (2) 88.0 368.2
(E)–PhCHCHCHaNO–H (2) 88.6 370.7
(E)–CH3C(Ph)aNO–H (2) 91.1 381.2
(2) 82.8 346.4
(Z)–CH3C(Ph)aNO–H (2) 89.4 374.0
(2) 80.1 335.1
(E)–Me2NCH2C(CH3)aNO–H (2) 92.0 384.9
(Z)–Me2NCH2C(Ph)aNO–H (3) 88.5 370.3
(E)–(c-C4H8N)CH2C(Ph)aNO–H (2) 88.6 370.7
(Z)–Me2NCH2C(Ph)aNO–H (2) 87.6 366.5
(Z)–(c-C4H8N)CH2C(Ph)aNO–H (2) 89.1 372.8
(E)–Me2NCH2CH2C(Ph)aNO–H (2) 88.7 371.1
2-(Hydroxyimino)-1,7,7-
trimethylbicyclo(2.2.1)-heptane
88.1 368.6 AOP 1995BOR/ZHA(b)
H
NO
Norcamphor, oximes 87.6 366.5 AOP 1995BOR/ZHA(b)

RaNO–H
(continued)
Table 6.1.2 (continued) O–H BDEs in Oximes and Hydrolamines
BDEs (boldfaceZ
recommended data;
Fluorene, oximes (1) 87.5 366.1 (1) AOP (1) 1992BOR/JI

FlaNO–H (2) 81.8 342.3 (2) Recommended (2) 2004PRA/BLA
(Hydroxyimino)-2,7-dibromo- 89.6 374.9 AOP 1992BOR/JI

fluorenylmethane
2,7-BrFlaNO–H
(Hydroxyimino)-2-PhSO2- 89.0 372.4 AOP 1992BOR/JI

fluorenylmethane
2-PhSO2FlaNO–H
Oximes, substituted
CH NO H
Y
YZH 88.1 368.6 AOP 1998BOR/ZHA
p-Cl 87.8 367.4
p-Br 87.6 366.5
p-MeO 87.8 367.4
p-Me 88.0 368.2
p-CF3 87.9 367.8
p-CN 87.8 367.4
m-NO2 88.6 370.7
p-NO2 88.4 369.9
Oximes, substituted
C(Me) NO H
Y
YZH 88.4 369.9 AOP 1998BOR/ZHA

p-Cl 89.0 372.4
p-Br 89.0 372.4
p-Me 89.0 372.4
p-MeO 88.9 372.0
p-CF3 88.9 372.0
p-CN 88.8 371.5
p-NO2 88.8 371.5
Hydroxylamines, substituted
R
NO H
R
RZCF3 (1) 82.6G3 345.6G12.6 (1) EPR (1) 1981MAL/ING
(2) 85.3G3 356.9G12.6 (2) EPR (2) 1984DOB/ING

Et (3) 69.5 290.8 (3) Kinetics (3) 1978CAC/LIS
(4) 75.9 317.6 (4) AOP (4) 1996BOR/LIU
(6) 69.6G1.9 291.2 (6) GPA (6) 2003REE/HAR
tBu (4) 68.2 285.3
(7) !69.6 !291.2 (7) EPR (7) 1973MAH/MEN
Hydroxylamines, substituted
R
NO H
tBu
RZiPrCH2C(O) 75.6 316.5 Correlation 2000DEN/DEN
PhCH2CH2C(O) 76.1 318.6
CH3(CH2)9C(O) 75.8 317.2
C(O)CHCHPh 76.8 321.3
4-NO2C6H4 80.2 335.6
4-MeOC6H4C(O) 73.5 307.5
Hydroxamic acids, substituted
H
R O
C N
O Ph
RZiPr (1) 79.3 331.8 (1) EPR (1) 1990PER/BER
(2) 81.2 339.7 (2) AOP (2) 1996BOR/LIU
tBu (1) 78.0 326.4
(2) 79.9 334.3
Ph (2) 84.1 351.9
(3) 80 334.7 (3) EPR (3) 2002MIN/PUN
3,5-(tBu)–C6H3 (1) 80.5 336.8
H
Ph O
C N
O R
RZMe (2) 79.2G0.5 331.4G2.1 (1) AOP (1) 1996BOR/LIU
(2) EPR (2) 2003AMO/LUC
p-BrC6H4 (1) 84.0 351.5
p-CN–C6H4 (1) 84.2 352.3
(continued)
BDEs (boldfaceZ
recommended data;
t Bu H
O
C N
O R
RZp-O2N–C6H4 80.2 335.6 EPR 1990PER/BER
p-MeO–C6H4 75.9 317.6
n-C10H21 75.8 317.1
N(CH2)5 74.4 311.3
Hydroxamic acids, substituted 80.2G0.5 355.6G2.1 EPR 2003AMO/LUC
H
R O
C N
O t Bu
RZ3,5-(NO3)2–C6H5
N-(tert-Butyl)-N-hydroxy-carboxamide,
substituted
O
t Bu
RC N
O H
RZPhCHaCH 76.8 321.3 EPR 1983JEN/PER
PhCH2CH2 76.2 318.8
CH3(CH2)9 75.8 317.1
(CH3)2CHCH2 75.6 316.3
74.4 311.3
N
N-(tert-Butyl)-N-hydroxy-benzamide,
substituted
O
tBu
Y C N
O H
YZH 77.2 323.0 EPR 1983JEN/PER

Ph 76.7 320.9
NO2 79.4 332.2
MeO 75.1 314.2
Hydroxy–N-piperidine, substituted
H
O O
N C N t Bu
Phenylamine, substituted
4-R-C6H4
NO H
4-R-C6H4
RZMeO (1) 71.8 300.4 (1) Correlation (1) 2000DEN/DEN

tert-Bu (1) 70.9 296.5
(2) 68.2 285.3 (2) Kinetics (2) 2005MAL/KOR
1-Hydroxy-pyrrolidine, substituted
Me Me
N O
X
H Me Me H
XZC(O)NH2 69.9 292.6 Correlation 2005DEN/TUM

C(O)OH 69.6 291.2
C(O)OMe 70.1 293.4
OH 68.7 287.3
2,5-Dihydropyrrole, substituted
Me Me
H
N O
X H
Me Me
XZCl (1) 70.0 292.7 Correlation (1) 2000DEN/DEN
Br (1) 70.1 293.1
COMe (1) 70.3 294.3
CONH2 (1) 70.1 293.1
C(O)OH (1) 69.6 291.0
C(O)OMe (1) 70.1 293.1
(2) 69.0 288.7 (2) 2005MAL/KOR
2,5-Dihydropyrrole, substituted
Me Me
Br
N O
X H
Me Me
XZBr (1) 70.2 293.7 Correlation (1) 2000DEN/DEN
(continued)
BDEs (boldfaceZ
recommended data;
(2) 68.4 286.2 (2) 2005MAL/KOR
C(O)OMe (1) 70.1 293.4

(2) 68.6 287.0
COMe (1) 70.4 294.5
1-Hydroxy-tetrahydro-imidazole
Me Me
H
Z
N O
N
Me H
Me Me
ZZH (2) 69.5 290.8 (1) EPR (1) 1973MAH/MEN
Me (2) 68.6 286.9
(3) 66.5 278.2 (3) Kinetics (3) 2005MAL/KOR
Ph (2) 69.9 292.6
(3) 66.7 279.1
p-FC6H4 (2) 69.8 292.0
(3) 68.1 284.9
p-MeC6H4 (1) 71.9 300.8
(2) 69.5 290.7
OH (3) 66.4 277.8
C(O)OH (3a) 68.0 284.5 (3a) Correlation
1-Hydroxy-pyrrolidine, substituted
Me Me
N O
(1) 71.4 298.7 Correlation (1) 2000DEN/DEN
O H
Me Me (2) 71.9 300.8 (2) 2005MAL/KOR
1-Hydroxy-tetrahydro-imidazole
Me Me
H
Z
N O
N
Y X Me H
X Y Z
Me OH H (1) 71.9 300.8 Correlation (1) 2000DEN/DEN
Me H PhC(O)CHa (1) 71.4 298.7
C6H13 Me Me (2) 68.1 284.9 (2) 2005MAL/KOR
Hydroimidazole, substituted
Me Me
X
N O
N
H
Me Me
XZMe (1) 70.6 295.2 Correlation (1) 2000DEN/DEN

(2) 69.8 292.0 (2) 2005MAL/KOR
iso-Pr (1) 70.5 294.9
CCl3 (1) 71.0 296.9
Ph (1) 70.3 294.2
(2) 69.2 289.5
p-FC6H4 (1) 70.8 296.1
p-ClC6H4 (1) 70.5 294.9
CH3C6H4 (1) 71.0 296.9
C(O)NH2 (1) 71.0 296.9
C(O)Me (1) 71.0 296.9
CHaN–tert-Bu (1) 70.5 294.8
CHaNOH (1) 70.8 296.1
Me Me
Me
Me
N O
N
H
Ph
Me Me Me
Me
N O
N
O H
Ph
2,5-Dihydrioimidazole, substituted
Me Me
Z
N O
O H
Me Me
ZZMe (1) 73.1 305.8 Correlation (1) 2000DEN/DEN
(2) 73.5 307.5 (2) 2005MAL/KOR
CHCl2 (1) 74.0 309.8
CH2Br (1) 73.2 306.3
(continued)
BDEs (boldfaceZ
recommended data;
CHBr2 (1) 74.4 311.1

BrCHCH3 (1) 73.1 305.8
C6H5 (1) 72.8 304.5
(2) 72.9 305.0
p-FC6H4 (1) 73.1 305.8
p-ClC6H4 (1) 73.2 306.3
p-BrC6H4 (1) 73.1 305.8
p-MeOC6H4 (1) 72.5 303.4
CN (2) 76.5 320.1
2,5-Dihydrioimidazole, substituted
Me Me
Ph
N O
O H
Y Me
YZNHMe 74.0 309.8 Correlation 2000DEN/DEN
NMeOH 74.1 310.0
Methanesulphovinates, substituted
Me
Me
Me +
N
N O MeSO4−
X H
Me Me
XZCH3 76.0 318.0 Correlation 2005MAL/KOR
C6H5 76.6 320.5
Piperidinol 77.0 322.2 AOP 1996BOR/LIU(b)
NO H
Piperdin-1-ol, substituted
H Me Me
H
H N O
Y
H H
H Me Me
YZH (1) 69.6 291.2 (1) EPR (1) 1973MAH/MEN
(2) 69.7 291.6 (2) AOP (2) 1996BOR/LIU
(4) 69.7 291.6 (4) Kinetics (4) 2005MAL/KOR

Cl (4a) 71.2 297.9 (4a) Correlation
OH (3) 72.2 302.2
(4a) 71.3 298.3
NH2 (4a) 71.0 297.1
Ph (3) 70.7 295.9
PhC(O)O (3) 71.2 297.7
(4a) 71.3 298.3
Piperdin-1-ol, substituted
H Me Me
Y
O N O
H
X
H Me Me
XZH YZH 67.5 282.4 Correlation 2005MAL/KOR
Cl H 74.4 311.3
H Br 72.6 303.8
1-Hydroxy-piperidn-4-one, substituted
X Me Me
O N O
H
Me Me
XZH (1) 71.8 300.4 (1) EPR (1) 1973MAH/MEN
Cl (2) 73.6 307.9 (2) Correlation (2) 2005DEN/TUM
Br (2) 72.5 303.4
1-Hydroxy-1,2,5,6-tetra-hydropyridine,
substituted
Me Me
O
N H
Ph Me (1) 70.7 295.9 (1) Correlation (1) 2000DEN/DEN

Me (2) 70.5 295.0 (2) Correlation (2) 2005DEN/TUM
(3) 69.5 290.8 (3) Kinetics (3) 2005MAL/KOR
1-Hydroxy-1,2,5,6-tetra-
hydropyrimidine, substituted
Me
Me
H
Me N O
N 73.8 308.8 Correlation 2000DEN/DEN
Me
O Me
(continued)
BDEs (boldfaceZ
recommended data;
7-Aza-bicyclo(2.2.1)heptan-7-ol
N O
H
(1) 77.0 322.2 (1) EPR (1) 1973MAH/MEN

(2) 78.0 326.4 (2) AOP (2) 1996BOR/LIU
9-Azabi-cyclo(3.3.1)–nonane-9-ol
76.2 318.8 EPR 1973MAH/MEN
O
N H
Hydroxydiaza-cyclo-heptane,
substituted
H 72.7 304.3 Correlation 2000DEN/DEN

O
Me
N
Me
Me
Me NH
1-Hydroxyindolin-2-one, substituted
Me 78.5G0.5 328.4G2.1 EPR 2003AMO/LUC

Me
t Bu
O
N
t Bu O H
1-Hydroxyindolin-3-one, substituted
O
70.6G0.3 295.4G1.3 EPR 2003AMO/LUC
Ph
N Ph
O H
Indolinol, substituted
Me
Me
t Bu 69.7G0.4 291.6G1.7 EPR 2003AMO/LUC
Ph
N Ph
t Bu O H
N-Hydroxyphthalimide (NHPI)
(1) O86 O360 (1) EPR (1) 2002MIN/PUN(b)
O (2) 88.1G0.6 368.6G2.5 (2) EPR (2) 2003AMO/LUC
H (3) 89.6G2.4 375G10 (3) Polanyi plot (3) 2003KOS/CAI
N O (4) 88.1G0.2 368.6G0.8 (4) EPR (4) 2004ANN/GER
N-Hydroxyphthalimide (NHPI),
substituted
H
O
R2 H
N O
O
H
R2ZCH3 88.2G0.2 369.0G0.8 EPR 2004ANN/GER

CH3O 87.3G0.2 365.3G0.8
CH3OCO 88.9G0.2 372.0G0.8
N-Hydroxyphthalimide (NHPI),
substituted
R1 O
H H
N O
O
R3
R1ZF R3ZH 88.6G0.2 370.7G0.8 EPR 2004ANN/GER

CH3O H 87.9G0.2 367.8G0.2
CH3O CH3O 87.1G0.2 364.4G0.8
(continued)
BDEs (boldfaceZ
recommended data;
1,2-Dihydroquinoline, substituted
H
O
N Me
Me
X
Me
XZC(CF3)2OH (1) 70.5 294.9 (1) Correlation (1) 2000DEN/DEN
(2) 69.6 291.2 (2) Kinetics (2) 2005MAL/KOR
CPh3 (1) 69.2 289.5
(2) 65.0 272.0
Piperidinol, substituted
H
O
N Me
(1) 70.0 292.8 Correlation (1) 2005DEN/TUM
Me
(2) 70.6 295.4 (2) 2005MAL/KOR
Ph3C
Me Ph
5,6-Dihydrophenanthridine, methanol,
substituted
Ph
Ph H 71.4G0.3 298.7G1.3 EPR 2003AMO/LUC
N O
3-Indol-3-ylindol-1-ol
NH
Ph 72.8G0.1 304.6G0.4 EPR 2003AMO/LUC
Ph
N
O H
Organomecury species
HgCl 70.9 296.6 Correlation 2005MAL/KOR
Me N Me
Me N Me
O
H
HgCl
75.3 315.1
O
N
Me Me
N
Me Me
O
H
6.1.3 O–H bonds in phenols

Table 6.1.3 O–H BDEs in Phenols
BDEs (boldfaceZ
recommended data;
Phenol (1) 90.4G1, in sol. 378.2G4.2 (1) AOP (1) 1996BOR/LIU

PhO–H (2) 88.0G1.5 368.2G6.3 (2) Recommended (2) 1996TSA
DfH0(R)Z11.6G0.7 (3) 88.3G0.8 369.4G3.3 (3) EPR (3) 2003VAL/BRI
(48.5G2.9) (4) 88.7G0.5 371.1G2.1 (4) Recommended (4) 2003GUE/COU
(5) 86.7G0.7, in 362.8G2.9 (5) Re-analysis (5) 2005MUL/KOR
gas
Pentafluorophenol 85.5 357.7 Correlation 2000DEN/DEN

C6F5O–H
Phenols, substituted
O
Y H
YZp-F (1) 91.2 381.6 (1) AOP (1) 1990ARN/AMA

(3) 87.4G0.5 365.7G2.1
(5) 84.5 353.5 (2) AOP (2) 1991BOR/CHE(b)
(14) 87.2 365.0
(28) 87.4 365.6 (3) Pulse (3) 1990LIN/SHE
radiolysis
m-F (14) 89.1 372.7 (4) EPR (4) 1996LUC/PED
o-F (14) 86.3 361.0 (5) Electrochemical (5) 1992PAR
(continued)
Table 6.1.3 (continued) O–H BDEs in Phenols
BDEs (boldfaceZ
recommended data;
p-Cl (1) 93.4 390.8 (6) EPR (6) 1973MAH/MEN

(2) 90.3 378G2
(3) 87.6G0.5 366.5G2.1 (7) PAC (7) 2001SIL/MAT
(8) 91.1 381
(17) 90.9G2.5 380.1G10.6 (8) AOP (8) 1997ZHU/ZHA
m-Cl (2) 91.8 384.1 (9) AOP (9) 1994ZHA/BOR
(14) 88.4 369.9
(15) 84.2G1 352.4G4.2 (10) Electrochemical (10) 1991PAR/HAN
(17) 85.8G3.9 358.9G16.4
(11) EPR (11) 1994LUC/PED
o-Cl (2) 90.0 376.6 (12) AOP (12) 1996BOR/LIU
(14) 86.0 359.9
(15) 84.7G1 354.5G4.2
(16) 85.8 359.0 (13) Electrochemical (13) 1975MAH/DAR
(17) 86.1G2.5 360.1G10.6 (14) Correlation (14) 2000DEN/DEN
p-Br (2) 90.7 379.5
(3) 88.1G0.5 368.6G2.1 (15) PAC (15) 1998YAN/JIA
(5) 85.2 356.5
(8) 91.3 382 (16) Derived from (16) 2003BUR/KHA
(14) 89.0 372.3 DfH0 in ref.
o-Br (14) 86.5 361.8
(17) Electroattach. (17) 2003KHA/MUF
p-I (3) 87.9G0.3 367.8G1.3
(5) 85.1 356.1 (18) EPR (18) 2004LUC/PED
(28) 87.9 367.7
(24) TR–PAC (24) 2004COR/GUF
p-Me (1) 87.2 364.8
(2) 88.7 371.1 (25) Derived (25) 2005FAT/KAS
(3) 86.1G0.5 360.2G2.1
(4) 88.2G0.6 369.0G2.5 (26) Electrochemical (26) 2005PRA/PES
(8) 89.4 374
m-Me (2) 89.4 374.0 (27) Combined (27) 2005PIN/DIO
(14) 87.6 366.7
(28) Correlation (28) 2005DEN/TUM
o-Me (2) 88.2 369.0
(12) 90.0 376.6
(14) 86.1 359.9
p-CN (1) 93.1 389.5
(2) 94.2 394.1
(3) 92.9G0.7 388.7G2.9
(5) 90.1 377.0
(8) 94.9 397.0
m-CN (2) 93.9 392.9
(14) 89.3 373.6
o-CN (14) 88.0 368.1
p-NO2 (1) 93.8 392.5
(2) 94.7 396.2
(3) 94.2G1.4 394.1G5.9

(5) 91.3 382.0
(8) 95.4 399
m-NO2 (2) 94.3 394.6
(14) 87.7 366.9
o-NO2 (14) 86.9 363.4
p-MeO (1) 86.3 361.1
(3) 82.6G0.5 345.6G2.1
(4) 82.8G0.2 346.4G0.8
(8) 85.1 356
(13) 84.0 351.5
m-MeO (2) 90.2 377.4
(12) 90.8 379.9
(14) 88.4 369.8
o-MeO (2) 86.0 359.8
(14) 84.2 352.1
p-OH (2) 81.5 341.0
(3) 80.2 335.6
(8) 82.2 344
(13) 84.6 354.0
(14) 84.1 352.0
m-OH (2) 90.9 380.3
(13) 90.9 380.3
(14) 88.2 369.1
o-OH (14) 81.2 339.6
(18) 81.8 342.3
(24) 82.4 344.7
p-NH2 (2) 77.3 323.4
(3) 75.5 315.9
(8) 77.9 326
(14) 80.8 338.1
m-NH2 (2) 88.0 368.2
(8) 88.0 368
(14) 87.8 367.2
o-NH2 (14) 85.3 356.7
p-CF3 (2) 95.3 398.7
(8) 95.8 401.0
(14) 91.4 382.4
m-CF3 (2) 93.8 392.5
(14) 92.2 385.7
p-tBu (2) 88.7 371.1
(4) 85.3G0.5 356.9G2.1
(8) 89.4 374
(13) 86.5 361.9
(14) 86.1 360.1
o-tBu (14) 84.6 353.8
p-Ph (2) 87.6 366.5
(8) 88.2 369
(13) 85.0 355.6
(14) 88.1 368.7
(28) 84.9 355.4
(continued)
BDEs (boldfaceZ
recommended data;
o-Ph (14) 86.5 361.9

o-C2H3 (14) 85.8 358.9
p-CH2OH (14) 85.7 358.7
o-C(O)OH (27) 93.9G0.8 392.8G3.3
m-C(O)OH (27) 91.7G0.9 383.6G3.8
p-C(O)OH (14) 88.8 371.7
(27) 90.8G0.8 380.0G3.4
p-MeCO2 (1) 88.9 372.0
m-EtCO2 (13) 89.9 376.1
(14) 90.7 379.4
(28) 89.8 375.7
p-Me2N (2) 80.3 336.0
(3) 74.1 310.0
(8) 79.8 334
(14) 78.6 328.9
m-Me2N (2) 87.9 367.8
(14) 86.2 360.6
p-MeSO2 (2) 95.0 397.5
(8) 95.6 400
m-MeSO2 (2) 92.3 386.2
(14) 90.7 379.5
p-MeCO (2) 92.8 388.3
(3) 90.3G0.5 377.8G2.1
(5) 87.5 366.1
(8) 93.5 391.0
(14) 88.8 371.6
m-MeCO (2) 91.8 384.1
(14) 90.0 376.5
o-MeCO (14) 86.8 363.0
p-PhCO (2) 92.5 387.0
(8) 93.2 390
(14) 90.8 379.9
o-Imidazolyl (26) 83.6G3.7 349.8G15.5
m-Imidazolyl (26) 89.0G1.7 372.4G7.1
p-Imidazolyl (26) 85.3G2.0 356.9G8.4
p-COOK (3) 89.9G0.5 376.1
(5) 87.1 364.4
(28) 89.9 376.1
o-(CH2)3CHO (14) 86.9 363.6
p-n-BuO (14) 83.1 347.8
p-NHPh (28) 81.1 339.3
o-O% (25) 65.4G3.6 273.6G15.1
(25) 67.5G3.7 282.4G15.5
m-O% (25) 90.0G3.6 376.6G15.1
p-O% (25) 60.4G1.7 252.7G7.1
(25) 58.8G2.7 246.0G11.3

K
o-O (25) 79.3G4.8 331.8G20.1
(25) 80.9G4.0 338.5G16.7
m-OK (25) 63.0G3.7 263.6G15.5
p-OK (2) 73.0 305.4
(3) 72.4 302.9
(25) 63.0G3.7 263.6G15.5
(25) 61.4G2.3 256.9G9.6
(28) 53.3 223.0
p-NKPh (28) 62.0 259.5
Phenols, di-substituted
3,5-Cl2 (2) 93.9 392.9 (2) AOP (2) 1991BOR/CHE(b)
(14) 92.3 386.2
(4) EPR (4) 1996LUC/PED
2,5-Cl2 (15) 85.0G1 355.7G4.2
(7) PAC (7) 2001SIL/MAT
3,5-Me2 (2) 89.1 372.8
(8) 88.2 369 (8) AOP (8) 1997ZHU/ZHA
(12) 89.7 375.3
(14) 87.2 364.7 (12) AOP (12) 1996BOR/LIU
(16) 86.6G0.4 362.5G1.5
(13) Electrochemical (13) 1975MAH/DAR
2,3-Me2 (14) 85.0 355.5
2,4-Me2 (14) 86.2 360.5
(15) PAC (15) 1998YAN/JIA
2,6-Me2 (2) 85.1 356.1
(4) 84.5G0.4 353.5G1.7 (16) EPR (16) 2003LUC/MUG(b)
(13) 85.1 356.1 (17) EPR (17) 2003VAL/BRI
(14) 84.8 354.6 (22) Electrochemical (22) 2004GRA/LAN
(17) 82.7G0.2 346.1G0.8 (24) TR–PAC (24) 2004COR/GUF
3,4-Me2 (14) 84.8 354.6
(22) 86.5 361.9
2-Me-4-tBu (14) 86.0 359.9
2-tBu-4-Me (14) 86.2 360.5
2,6-tBu2 (2) 82.1 343.5
(Also see Table 6.1.4) (4) 82.8G0.2 346.4G0.8
(8) 82.7 346
(13) 85.1 356.1
(14) 82.8 346.4
2,4-tBu2 (14) 85.9 359.5
3,5-tBu2 (4) 86.6G0.3 362.3G1.2
(7) 90.3G0.5 378.0G2.0
(13) 86.9 363.6
(14) 86.6 362.4
2,2-(OH)2 (24) 78.6 328.9
3,5-(OH)2 (24) 88.8 371.4
2,6-(MeO)2 (4) 83.2G0.2 347.9
(28) 83.7 350.0
3,5-(MeO)2 (4) 86.7G0.3 362.8
(continued)
BDEs (boldfaceZ
recommended data;
(28) 86.7 362.6

2-OH-4-tBu (14) 81.8 342.4
2-Me-4-OH (14) 83.6 349.8
2-tBu-4-MeO (14) 82.1 343.4
Phenols, tri-substituted
3,4,5-Cl3 (2) 93.1 389.5 (2) AOP (2) 1991BOR/CHE(b)
(14) 91.4 382.4
(4) EPR (4) 1996LUC/PED
2,4,6-Cl3 (15) 83.7G1 350.3G4.2 (6) EPR (6) 1973MAH/MEN
(20) 85.8 359
2,4,5-Me3 (14) 85.3 356.8 (8) AOP (8) 1997ZHU/ZHA
2,4,6-Me3 (see next cell) (see next cell) (9) AOP (9) 1994ZHA/BOR
(see next cell) (11) EPR (11) 1994LUC/PED
2,4,6-tBu3 (6) 81.2 339.7 (14) Correlation (14) 2000DEN/DEN
(Also see table 6.1.4) (8) 82.2 344
(9) 82.6 345.6 (15) PAC (15) 1998YAN/JIA
(11) 81.2G0.1 339.7G0.4
(18) 81.3 340.2 (16) EPR (16) 2002LUC/MUG
2,4-tBu2-6-Me (14) 85.1 355.9 (17) EPR (17) 1988COR/COL
2,6-Me2-4-Cl (14) 84.0 351.4
(18) EPR (18) 2000PED/COR
3,5-Me2-4-CH2C(O)OH (14) 83.7 350.3
2,6-Me2-4-CN (14) 84.6 354.0 (20) Derived from (20) 2003BUR/KHA
DfH0 in ref.
2,6-Me2-4-NH2CH2 (14) 83.2 348.1 (21) EPR (21) 2003VAL/BRI
2-Me-4-tBu-6-R (25) 86.7G0.8 362.9G3.2 (22) Electrochemical (22) 2004GRA/LAN
RZS-(3-Me-4-OH-5-tBuPh) (23) EPR (23) 1997PED/LUC
1,3-tBu2-5-OH (15) 79.3G0.3 331.8
(16) 80.7G0.3 337.6 (25) EPR (25) 1998PAU/COR
2,5-t-Bu-4-OH (22) 70.6 295.4
3,5-tBu-2-OH (14) 81.3 340.3
(22) 84.0 351.3
2-OH-3,6-tBu2 (14) 81.1 339.5
2,3-MeO-4-OH (14) 82.2 343.8
2,3-Me2-4-MeO (14) 79.2 331.4
2,4,6-(MeO)3 (23) 80.0G0.1 334.7G0.5
(see next two
cells)
2-S(CH2)2CN-4-Me-6- (14) 83.1 347.5
MePhCH
2-Me-4-NH2CH2-6-tBu (14) 83.8 350.6
2,6-tBu2K4-Me (21) 81.0G0.1 339.0G0.5
3,6-tBu2-4-Me (7) 80.5G0.9 336.8

(11) 80.7G0.3 337.6
2-tBu-4,6-Me2 (14) 85.0 355.8
2,5-t-Pentyl-4-OH (16) 80.8G0.2 338.1G0.8
4-C3H7K2,5-di-OH (16) 82.6G0.3 345.6G1.3
(propyl gallate)
4-C8H17-2,5-di-OH (16) 82.5G0.3 345.2G1.3
(octyl gallate)
R2
R4 O H
R6
R2 R4 R6 in sol. in gas in sol. in gas
H H H (1) 89.2 87.3 373.2 365.3 (1) PAC (1) 1995WAY/LUS
tBu tBu tBu (2) 83.2 81.2 348.1 339.7 (2) Calorimetry (2) 1969MAH/FER
(Also see table 6.14)
tBu Me tBu (3) 81.6 79.6 341.4 333.0 (3) PAC (3) 1996WAY/LUS
(4) 82.7 80.7 346.0 337.6 (4) EPR (4) 1994LUC/PED
(5) 79.7 333.5 (5) EPR (5) 2000PED/COR
Me Me Me (1) 83.8 81.8 350.6 342.3
(6) 82.7 346.0 (6) ERP (6) 2002AMO/FER
(22) 82.1 343.4 (22) Electrochemical (22) 2004GRA/LAN
Me MeO Me (3) 79.2 77.2 331.4 323.0
(4) 79.6 77.6 333.0 324.7
tBu t-Bu H (3) 84.1 82.1 351.9 343.5
O
Y H in sol. in gas in sol. in gas PAC (1) 1999HEE/KOR
YZH (1) 89.2 86.2 373.2 360.7
2-MeO (1) 88.6 86.6 370.7 362.3
2,6-(MeO)2 (1) 81.9 79.7 342.7 333.5
2,4-(MeO)2 (1) 83.5 81.5 349.4 341.0
2,4,6-(MeO)3 (1) 78.9 76.9 330.1 321.7
(also see first two
cells)
4-MeO (2) 83.8 81.4 350.6 340.6 (2) 1996WAY/LUS
Phenols, tetra-substituted
R4 R5
R3 O
H
R2 R1
R1ZR4ZR5ZMe (1) 79.2G0.2 331.4G0.8 (1) EPR (1) 1996LUC/PED
R2ZH, R3ZMeO
(continued)
BDEs (boldfaceZ
recommended data;
(3) EPR (3) 2002LUC/MUG

R1ZR2ZR4ZR5ZMe (4) 83.1 347.8
R3ZH (4) Correlation (4) 2000DEN/DEN
R1ZR2ZR3ZR5ZMe (4) 83.9 351.2
R4ZH
R2ZR5ZH, R3ZOH (3) 80.8G0.2 338.1G0.8
R1ZR4ZCMe2Et
R1ZR5ZOH, R2ZR4ZH (3) 82.6G0.3 345.6G1.3
R3ZC(O)OC3H7
R1ZR5ZOH, R2ZR4ZH (3) 82.5G0.3 345.2G1.3
R3ZC(O)OC8H17
R1ZR2ZR4ZMe (4) 82.4 344.7
R3ZOH, R5ZH
Phenols, penta-substituted
R4 R5
R3 O
H
R2 R1
R1ZR2ZR4ZR5ZMe (1) 81.9G0.2 342.7 (1) EPR (1) 1996LUC/PED
R3ZMeO (2) 78.0G0.1 326.4 (2) EPR (2) 1991COR/COL
R1ZR2ZR3ZR4ZR5ZMe (4) 81.4 340.5 (4) Correlation (4) 2000DEN/DEN
(5) 81.8 342.3 (5) EPR (5) 2002AMO/FER
Biphenols
Y O H
(Y')
YZ2-OH Y 0 Z2-OH (1) 88.9 372 (1) Electrochemical (1) 2002JON/LIN
2-OK 2-OH (1) 92.0 385
4-OH 4-OH (1) 83.4 349
(2) 85.2 356.5 (2) Electrochemical (2) 1975MAH/DAR
(3) 85.5 357.7 (3) Pulse (3) 2001DAS
radiolysis
4-OK 4-OH (1) 78.9 330
4-Hydroxy-diphenylmethanes
H
O CH2 R
RZC6H5 85.1 356.2 TR–PAC 2004COR/SAN

C6H4-4-OH 85.7 358.4
3-Pyridinol
H 95 397.5 AOP 1993BOR/SIN
O
N
3-Pyridinols, substituted
CH3
N H 78.2G0.3 327.2G1.3 EPR 2003WIJ/PRA
N O
N
CH3
CH3
H 77.0G0.5 322.2G2.1
N O
N
CH3
H 76.3G0.6 319.2G2.5
N O
CH3 N
H
N O 75.4G0.7 315.5G2.9
CH3 N
5-Pyrimidinol
N H
O
Y N
YZH (1) 91.1 381.2 Est. by exp. (1) 2001PRA/DIL
(2) 90.3 377.8 (2) 2003VAL/BRI
5-Pyrimidinols, substituted
N H
O
Y N
YZ2-CH3, 6-CH3, 4-CH3 (1) 85.20G0.50 356.48G2.09 EPR (1) 2001PRA/DIL

2-tBu, 6-tBu, 4-CH3 (1) 84.10G0.25 351.87G1.05
2-CH3, 6-CH3, 4-N(CH3)2 (1) 78.16G0.25 327.02G1.05
2-CH3, 6-CH3, 4-CH3O (2) 82.48G0.50 345.10G2.09 (2) 2003VAL/BRI
2-tBu, 6-tBu, 4-N(CH3)2 (2) 76.64G0.10 320.66G0.42
Chroman-6-ol, substituted
Me
O
H Me (1) 78.3G0.2 327.6G0.8 (1) EPR (1) 1996LUC/PED
O (2) 78.2 327.2 (2) Correlation (2) 2005DEN/TUM
Me Me
Me
(continued)
BDEs (boldfaceZ
recommended data;
a-Tocopherol
H
R5
O
CH2 R
O
R7 CH3
CH3 (1) 78.9 330.1 (1) EPR (1) 1992JAC/HOS
R = CH2CH2CHCH2 H
(2) 78.9 330.1 (2) EPR (2) 1994LUC/PED
3
(3) 80.9G1, in sol. 338.5G4.2 (3) AOP (3) 1996BOR/LIU
CH3 (4) 79.3, in sol. 331.8 (4) PAC (4) 1996WAY/LUS
R5ZR7ZCH3 (4) 77.3, in gas 323.4
(vitamin E) (5) 78.23G0.25 327.31G1.05 (5) EPR (5) 2003VAL/BRI
d-Tocopherol (4) 82.2, in sol. 343.9
R5ZR7ZH (4) 80.2, in gas 335.6
b-Tocopherol (6) 80.2 335.6
R5ZCH3, R7ZH
g-Tocopherol (6) 80.1 335.1
R5ZH, R7ZCH3
All–rac-a-selenotocopherol
H
CH3
O
CH2 R
Se
CH3
CH3
CH3 78.1G0.3 326.8G1.3 EPR 2006SHA/AMO
R = CH2CH2CHCH2 H
3
CH3
chroman, substituted
O
H 65 4
3
78 Y
12
O
YZ5,7,8-trimethyl 79.1 330.8 Correlation 2000DEN/DEN
2,4,5,7-tetramethyl 78.0 326.4
2,5,7,8-tetramethyl-2- 78.6 328.9
COOH
2,5,7,8-tetramethyl-2- 78.7 329.1
CH2CH2C(O)COOH
2,5,7,8-tetramethyl-2- 79.7 329.3
CH2COOH
2,5,7,8-tetramethyl-2- 80.0 334.7
CH3O
2,5,7,8-tetramethyl-2- 78.8 329.7
CH2CH2C(O)OCH3
2,2,5,7,8-pentamethyl 78.5 328.4
2,5,7,8-tetramethyl-2- 79.1 331.0
CH2OH
2H-chromene, substituted
2,2,5,7,8-pentamethyl
O
H 6 4
1
O
Ubiquinol-2
H
O
CH3O CH 3

CH 3O R
O
H
R = (CH 2CHC(CH 3)CH 2) 2H
Ubiquinol-6
O
CH 3O CH 3
R 82.3 344.3 Correlation 2000DEN/DEN

CH3O
O
H
Ubiquinol-10
H
O
CH 3O CH 3
in sol. in gas in sol. in gas

CH3O R
80.5 78.5 336.8 328.4 PAC 1999HEE/KOR
O
H
5,7-Dimethyl-tocol, DMT 79.7 333.5 Correlation 2000DEN/DEN

RO–H
Dihydrobenzofuran,
substituted
O
7 12
6 3 Y
5 4
H O
YZ2,2,6,7-tetramethyl 78.8 329.7 Correlation 2000DEN/DEN
2,4,6,7-tetramethyl 78.0 326.4
(continued)
BDEs (boldfaceZ
recommended data;
2,4,6,7-tetramethyl- 79.8 334.0

2-C(O)OH
2,2,4,6,7-pentamethyl 77.9 326.0
2,3-dihydrobenzo(b)furan-5-
ol and its 1-thio, 1-seleno,
and 1-telluro analogues
O
H
X
XZO 81.3 340 Electrochemical 2001MAL/JON
S 80.5 337
Se 80.3 336
Te 80.5 337
Tetrahydroquinoline,
substituted
Y
8 NH
7 1 2
6 5 3
H 4
O
YZ5,7,8-trimethyl-N-acetyl 83.7 350.3 Correlation 2000DEN/DEN
5,7,8-trimethyl-N-ethyl 79.6 332.9
Hydroxynaphthalene,
substituted
8 1 H
7 2
6 3 O (1) 84.5 353.5 (1) Electrochemical (1) 1975MAH/DAR
5 4
(2) 84.0 351.5 (2) AOP (2) 1991BOR/CHE(b)
H–O bond at 1 site (3) 82.1 343.4 (3) Correlation (3) 2000DEN/DEN
DfH0(R)Z39.5 (165.3)
2 site (1) 86.5 361.9
DfH0(R)Z41.6 (174.1) (2) 88.0 368.2
(3) 84.6 353.8
1 site with 5-OH (1) 83.6 349.8
2 site with 6-Br (2) 88.5 370.3
Naphthalene-1,4-diol
H
O
OH
2,4-Dichlorophenoxy-1 0 ,5 0 -
dichloro-phenyl-6,
2 0 -ether
Cl
Cl O
81.3 340 Derived from 2003BUR/KHA
O Cl DfH0 in ref.
Cl
H
0
DfH (R)ZK30.6G6 (128G25)
Hydroxyfluorene
9
8 1
7 2 H
6 5 4 3
O
H–O bond at 1 site (1) 82.0 343.1 (1) Electrochemical (1) 1975MAH/DAR
3 site (2) 80.9 338.3 (2) Correlation (2) 2000DEN/DEN
Hydroxy-phenanthrene
56 7
8
H 4
O 32 9
1 10
H–O bond at 1 site 84.8 354.7 Correlation 2000DEN/DEN

2 site 87.7 367.0
3 site 86.6 362.5
4 site 85.1 356.2
Pyrene, substituted
10 1
9 2 H
3 O
8
7 6 4
5
H–O bond at 3 site (1) 80.2 335.6 (1) Electrochem. (1) 1975MAH/DAR
3 site with 8-OH (1) 79.0 330.5

3 site with 10-OH (1) 79.2 331.4

(2) 75.9 317.7
6.1.4 O–H bonds in sterically hindered phenols

Table 6.1.4 O–H BDEs in Sterically Hindered Phenols
BDEs (boldfaceZ
recommended data;
Phenols, substituted (2) 82.1 343.5 (2) AOP (2) 1991BOR/CHE(b)

t Bu (4) 82.8G0.2 346.4G0.8 (4) EPR (4) 1996LUC/PED
(8) 82.7 346 (8) AOP (8) 1997ZHU/ZHA
O (13) 85.1 356.1 (13) Electrochem. (13) 1975MAH/DAR
H (14) 82.8 346.4 (14) Correlation (14) 2000DEN/DEN
t Bu
t Bu
O
Y H
t Bu
YZp-Cl (14) 82.3 344.5 (2) AOP (2) 1991BOR/CHE(b)

(15) 82.4 344.8
(4) EPR (4) 1996LUC/PED
p-NC (14) 84.2 352.4
(6) EPR (6) 1973MAN/MEN
p-HS (14) 81.3 340.0
(7) PAC (7) 2001SIL/MAT
p-Me (4) 81.0 338.9
(7) 80.5G0.9 336.9G3.6 (8) AOP (8) 1997ZHU/ZHA
(8) 80.1 335
(17) 79.9G0.2 334.3G0.8 (9) AOP (9) 1994ZHA/BOR
(18) 79.9G0.1 334.4G0.5
(10) Electrochem. (10) 1991PAR/HAN
p-Et (8) 80.1 335
(11) EPR (11) 1994LUC/PED
p-NO (14) 82.7 346.0
p-NO2 (8) 86.3 361
(10) 86.7 362.8 (15) EPR (15) 2002BRI/LUC
(14) 85.6 358.0
(15) 84.9 355.2 (16) EPR (16) 1994LUC/PED
p-NH2 (14) 80.0 334.6 (17) EPR (17) 1988COR/COL
p-NH2CH2 (14) 77.2 322.9 (18) EPR (18) 2000PED/COR
p-CN (15) 84.2 352.4 (19) EPR (19) 2003LUC/MUG
(20) 85.3 356.9
(20) Correlation (20) 2005DEN/TUM
p-OH (19) 78.6 328.9
p-MeO (4) 78.3 327.6

(8) 79.6 333
(9) 79.7 333.5
(11) 77.6G0.4 324.7G1.3
(20) 77.8 325.5
p-MeC(O)NH (14) 78.1 326.7
p-HO(O)CCH2 (14) 80.5 336.9
p-MeC(O)CH2 (14) 81.9 342.8
p-CNCH2 (14) 74.4 311.1
p-MeC(O) (14) 83.1 347.8
p-HC(O) (14) 83.1 347.8
(15) 84.2 352.3
p-HO(O)C (14) 83.4 348.8
(15) 84.3 352.7
p-MeOC(O) (8) 82.7 346
(9) 84.3 352.7
(15) 84.1 351.9
p-tBuOC(O) (14) 83.1 347.8
p-tBu (6) 81.2 339.7
(8) 82.2 344
(9) 82.6 345.6
(11) 81.2G0.1 339.7G0.4
(18) 81.3 334.0
p-tBuO (14) 79.2 331.3
(20) 78.9 330.2
p-BuS (14) 81.5 341.0
p-RS (16) 81.0 338.9
p-Ph (14) 80.7 337.7
(15) 81.2 339.7
(20) 80.8 337.9
p-PhO (14) 80.6 337.2
p-PhS (14) 82.8 346.4
p-PhCH2 (14) 81.2 339.7
(20) 80.1 335.1
p-PhCHZCH (15) 78.9 330.1
p-Ph2CH (14) 81.8 342.3
p-(CH2)2Ph (14) 81.3 340.0
p-(CH2)2tBu (14) 81.2 339.8
p-C18H37OC(O)CH2CH2 (14) 81.2 339.8
(octadecyloxyoxo-
2 0 -ethyl)
p-C18H37O (14) 78.5 328.6
(octadecyloxy)
p-C24H49O (14) 78.7 329.2
(tetracozyloxy)
(continued)
Table 6.1.4 (continued) O–H BDEs in Sterically Hindered Phenols
BDEs (boldfaceZ
recommended data;
Ph
O
Y H
Ph
YZp-MeO (20) 78.6 328.7
p-NH2 (20) 77.3 323.6
p-CH2CN (20) 74.6 312.0
p-Ph (8) 84.8 354.8 (8) AOP (8) 1997ZHU/ZHA
(9) 85.3 356.9 (9) AOP (9) 1994ZHA/BOR
p-HO(O)CCH2 (20) 78.1 326.6 (20) Correlation (20) DEN/TUM
R
O O

R Ph
R= O
H
Ph
t Bu t Bu

O OH
t Bu t Bu
Ethane, substituted,
O–H bond
H
t Bu O OH t Bu 81.1 339.4 Correlation 2005DEN/TUM
CH2 CH2
t Bu t Bu
Methane, substituted
O–H bond
23 5 6
O 1 4 CH2 4 1 OH
H 6 5 3 2
2,4-tBu2 (1) 81.5 340.9 (1) Correlation (1) 2005DEN/TUM

(2) 81.1G0.1 339.3G0.4 (2) EPR (2) 2003AMO/LUC
3,5-tBu2 (1) 81.4 340.5
Ethane, substituted
O–H bond H
OH Me O
t Bu t Bu 81.2G0.2 339.7G0.8 EPR 2003AMO/LUC
t Bu t Bu
O–H bond, CR4
H
O 81.5 340.9 Correlation 2000DEN/DEN
R= t Bu t Bu
CH2CH2C(O)OCH2
Benzene, substituted
O–H bond
R
R
t Bu
R
R = CH2 O
H
t Bu
Ether, substituted
O–H bond, R–O–R
H
O 81.0 339.0 Correlation 2000DEN/DEN

Ph Ph
R=
(CH2)2C(O)O(CH2)2
(continued)
BDEs (boldfaceZ
recommended data;
Indophenol, substituted
t Bu t Bu

O N O
H
t Bu t Bu
Silane, substituted
O–H bond, SiR4
t Bu 81.5 341.0 Correlation 2000DEN/DEN
O CH2CH2O
R= H
t Bu
Sulfide, substituted
CHMePh H
O
S CH2Ph
Me
O–H bond, RCH2SCH2R
t Bu 81.2 339.8 Correlation 2000DEN/DEN
H
R= O
t Bu
CHMePh O H Me
Sx
Me HO CHMePh
xZ1 80.3 335.9 Correlation 2005DEN/TUM
2 80.1 335.3
CHMePh H
O
Me
XZS(CH2)4CN 82.5 345.2 Correlation 2005DEN/TUM

SCH2CH3 81.1 339.4
S-n-Bu 81.1 339.2
SCH2Ph 81.0 338.7
CHMePh
XS O
H
CHMePh
XZH 81.4 340.7 Correlation 2005DEN/TUN
Me 81.5 341.1
4-((4-Hydroxyphenylthio)-
methylthio)phenyl,
substituted
t Bu t Bu
(1) 81.0G0.4 338.9G1.3 (1) EPR (1) 1994LUC/PED
Me
HO SCS O
H
t Bu Me t Bu
4-((4-Hydrophenyl)-
methylene)cyclohexa-2,5-
dien-1-one, substituted
t Bu t Bu
O CH O (1) 78.8G0.3 329.7G12.6 (1) EPR (1) 1994LUC/PED

H (2) 78.7 329.3 (2) Correlation (2) 2005DEN/TUM
t Bu t Bu (2) 78.4 328.3
(continued)
BDEs (boldfaceZ
recommended data;
Galvinol
t Bu
O CH O
H
t Bu
trans-Hydroxystilbene
substituted
OMe
R1
OMe
H O
R2
R1ZH R2ZOH 79.3 331.8 EPR 2004AMO/LUC

tBu tBu 78.6 328.9
tBu OH 77.7 325.1
cis-Hydroxystilbene
substituted
t Bu OMe 80.4 336.4 EPR 2004AMO/LUC
H O
t Bu OMe
Silicoorganics
t-Bu
O H
Si
4
t-Bu
O t-Bu
O H 81.7 341.7 Correlation 2005DEN/TUM
C (CH2)2 O
4
t-Bu
Ether, substituted
O (CH2)3 t-Bu
O(CH2)2
H 2
O O
t-Bu
Phone, substituted
t-Bu t-Bu
HO O H

t-Bu t-Bu
Phone, substituted
OH
t-Bu t-Bu

t-Bu
t-Bu
HO O H
t-Bu t-Bu
4-Hydroxydiphenylamine
H 81.1 339.3 Correlation 2004VAR

NH O
4-Hydroxydiphenylaminyl radical
H
N O 62.0 259.5 Correlation 2004VAR
6.1.5 O–H bonds in metal-containing species

Table 6.1.5 O–H BDEs in Metal-Containing Species
BDEs (boldfaceZ
recommended data;
DfH0w, kcal/mol (kJ/mol) kcal/mol kJ/mol parentheses) References
Permanganic anion (1) 83 347.3 Electrochemical (1) 1995COO/MAY

[H–OMnVIO3]K (2) 80G3 334.7G12.6 (2) 1997GAR/KUE
H–OCr(O)Cl2 w83 w347 Electrochemical 1995COO/MAY
H–ORuVZO 82.8 346.4 Est. by exp. 2003YIU/LEE
H–O bonds
[(bpy)2(py)RuIVO]2C–H 84G2 351.5G8 Electrochemical 2003BRY/MAY
IV 2C
[(bpy)2(py)Ru (OH)] –H 82G2 343.1G8
Manganese-oxo cubane complex (1) O94.4 O395 Electrochemical (1) 2003CAR/BOU

Mn4O3(O–H)(O2PPh2)6 (2) O94 O393.3 (2) 2003MAN/WOL
Antion
[Mn(H2O)5(HO–H)]2K 90 376.6 Electrochemical 2003GUP/BOR
[L2MnII(m-O–H)2MnIIIL2](PF6)3 75 313.8 Electrochemical 1997WAN/MAY

[L2MnIII(m-O)(m-O–H)MnIVL2](PF6)3 79 330.5
LZ1,10-phenanthroline
[MnIIIMnIV (m-O)(m-O–H)(L)2]
LZsalpnZN,N 0 -bis(salicylidene) 76 318.0 Electrochemical 1996BAL/PEC
K1,3-propanediamine
Z3,5-di(Cl)salpn 77 322.2
Z3,5-di(NO2)salpn 79 330.5
Z2,2-bipyridyl 84 351.5
MnIII2L2(HO–H)
LZ2-hydroy-1,3-bis(3,5-X2-
salicylidenamino)propane
XZ3,5-H 85 355.6 Electrochemical 1997CAU/PEC
3,5-Cl 89 372.4
3,5-t-Bu 82 343.1
[MnIIIMnIVL2(HO–H)]C
LZ2-hydroy-1,3-bis(3,5-X2-
salicylidenamino)propane
XZ3,5-H 89 372.4 Electrochemical 1997CAU/PEC
3,5-Cl 94 393.3
3,5-t-Bu 86 359.8
Monocuclear manganese hydroxide 82G2 343.1G8.4 Electrochemical 2005GOL/COL

MnII(PY5)(HO–H)
PY5Z2,6-bis(bis(2-pyridyl)-
methoxymethane)-pyridine
O–H bond in M–O complex, K salts
O NH
O H
H
N HN
1 = N
O
O N M N
K2[MnIIH31(O–H)] 77 322.2 Electrochemical 2003GUP/BOR

K[MnIIIH31(O–H)] 110 460.2
K2[FeIIH31(O–H)] 66 276.1
III
K[Fe H31(O–H)] 115 481.2
Cation 77 322.2 Electrochemical 2002GOL/JON

[FeII(H2O)5(HO–H)]2C
½FeII ðPY5ÞðMeO–HÞ ðCF3 SO3 Þ2 84 351.5 Electrochemical 1997JON/STA

PY5Z2,6-bis((2-pyridyl)methyo-
methane)pyridine
LiO–H 128.2 536.4 Derived from 1996NIST

NaO–H 119.4 499.6 DfH0 in ref.
KO–H 124.7 521.7
CsO–H 129.1 540.2
BeO–H 112.1 469 Derived from 1996NIST

MgO–H 105.4 441 DfH0 in ref.
CaO–H 108.9 456
(continued)
Table 6.1.5 (continued) O–H BDEs in Metal-Containing Species
BDEs (boldfaceZ
recommended data;
SrO–H 98.0 410

BaO–H 76.6 320
BO–H 99.5 416 Derived from 1996NIST

AlO–H 111.1 465 DfH0 in ref.
GaO–H 121.5 508 Derived from 1996GUR/VEY

InO–H 116.7G5 488G21 DfH0 in ref.
TlO–H 118.2G7 495G30
CrO–H 83.5G3.5 349.4G14.6 Derived This volume

MnO–H 83.5G10 349G42
FeO–H (1) 80.9G4 338G17 (1) Derived from (1) 2003SCH/SCH

DfH0 in ref
(2) 83.4G4.7 348.9G19.7 (2) Derived (2) This volume
B(O)O–H 118 494 Derived from 1996NIST

DfH0 in ref.
6.1.6 O–H bonds in radicals

Table 6.1.6 O–H BDEs in Radicals
BDEs (boldfaceZ
recommended data;
Hydroxyl radical 102.75G0.07 429.91G0.29 Recommended 2002RUS/WAG

H–O%
Hydroperoxy radical (1) 48.2G0.8 201.7G3.3 (1) Derived from (1) 2001IUPC
%
H–OO DfH0 in ref.
(2) 48.3G1.2 202.1G5.0 (2) GIB MS (2) 1990FIS/ARM(b)
H–OC%H2 30.2G0.2 126.4G0.8 Derived from 1986PED/NAY

H–O-C%H–CH3 24.6G1 102.9G4 DfH0 in ref.
D–OC%H2 30.5G1.6 127.4G6.8 PD 2004FEN/DEM
H–O-C%H–CH3 23 96 Derived 2005LIU/GRO
H–O-C%Cl–CH3 19.6G3 82.0G12.6 Derived from 1996NIST

H–O-C%H–CH2CH3 26.4G1.5 110.5G6.3 DfH0 in ref.
H–OC%(CH3)2 30.1G2.0 125.9G8.4
%
H–OC H(C6H5) 30.7G2 128.4G8.4
H–OC%(C6H5)2 27.6G1.7 115.5G7.1
H–O(O)C% 4.6G0.7 19.2G2.9 Derived This volume
4-Hydroxydiphenylaminyl
radical
H
N O 62.0 259.5 Correlation 2004VAR
6.2 O–O bonds

Table 6.2 O–O BDEs
BDEs (boldfaceZ
recommended data;
(boldfaceZdissociated or (reference in
atom group) kcal/mol kJ/mol parentheses) References
Oxygen (1) 119.11G0.04 498.36G0.17 (1) Spectroscopy (1) 1979HUB/HER

O–O (2) 118.876G0.003 497.375G0.013 (2) TIPPS (2) 1997MAR/HEP
Oxygen cation (1) 154.5 646.6 (1) Derived (1) 1979HUB/HER

O–OC (also see Chapter 26) (2) 154.82G0.07 647.75G0.17 (2) Derived from (2) 1996NIST
IP in ref.
Oxygen anion 94.6G0.1 395.9G0.6 UV PES 2003ERV/ANU

O–OK (also see Chapter 26)
(continued)
Table 6.2 (continued) O–O BDEs
BDEs (boldfaceZ
recommended data;
Ozone (1) 25.5 106.6 (1) Derived from (1) 1998CHA

O–O2 DfH0 in ref.
(2) 24.27G0.06, 0 K 101.53G0.25 (2) PHOFEX (2) 1997TAK/KIS
(3) 24.49G0.01, 0 K 102.48G0.04 (3) LIF (3) 1999TAN/TAK
Hydroperoxy radical (1) 65.6G0.8 274.5G3.3 Derived (1) 1998LIT/RUS

O–OH (2) 65.55G0.08 274.26G0.33 (2) 2006RUS/PIN
Hydroperoxide (1) 51G1 213.4G4.2 (1) Review (1) 1982MCM/GOL

HO–OH (2) 52.6G1.2 220G5 (2) Photolysis (2) 1988DIX/NIG
(3) 51.3G0.1 214.6G0.4 (3) Derived (3) 1998LIT/RUS
(4) 50.35G0.10, 210.66G0.42 (4) Derived from (4) 1998CHA
in gas DfH0 in ref.
(5) 46.8G1.4, 195.8G5.9 (5) PAC (5) 2004AUT/BRO
in aq.
Fluoride hydroperoxide 45.6G2 199.7G8.4 Derived from 1998COL/GRE

HO–OF DfH0 in ref.
Bromine hydroperoxide 33.1G2 138.5G8.4 Derived from 1998COL/GRE

HO–OBr DfH0 in ref.
Difluoroperoxide 47.7 199.6 Derived from 1994FRE/KAB

FO–OF DfH0 in ref.
Dioxygen fluoride radical 110.7 463.1 MS 1966MAL/MCG

O–OF
Dioxygen bromide radical 52.3 219.0 Derived 2000XIE/SCH

O–OBr
Dichloroperoxide (1) 16.5G0.7 69G3 (1) UV photo. (1) 1979BAS/HUN

ClO–OCl (2) 17.3G0.7 72.5G3 (2) UV photo. (2) 1988COX/HAY
(3) 18.1G0.7 75.7G3 (3) UV photo. (3) 1994NIC/FRI

(4) 17.3G0.7 72.4G2.8 (4) PIMS (4) 2005PLE/KUH
(5) 16.6G1.1 69.4G4.6 (5) UV photo. (5) 2006BRO/ZAB
Chloroperoxide w35 w146 Est. by exp. 1996BOG/THO

HO–OCl
Dichlorine trioxide (1) 14.8G2.9 62G12 UV photolysis (1) 1989HAY/COX
ClO–OClO (2) 11.1G1.2 46.4G5 (2) 1993BUR/MAU
Bromoperoxide w35 w146 Est. by exp. 1996BOG/THO

HO–OBr
Diiodoperoxide 17.9G4 74.9G17 Derived from 2003NASA/JPL

IO–OI DfH0 in ref.
trans-Perp-peronitrous acid (1) 17 71.1 (1) Review (1) 2000GOL/SMI

HO–ONO (2) 19.8G0.2 83G1 (2) Kinetics (2) 2002HIP/NAS
(3) 18.3 76.6 (3) Derived (3) 2002DIX/FEL
(4) %16.8 %70.3 (4) Spectroscopy (4) 2003POL/KON
(5) %16.2G0.1 %67.8G0.4 (5) Photolysis (5) 2005KON/POL
cis-cis-Peronitrous acid 19.9G0.5, 0 K 83.3G2.1 LIF 2005MAT/SIN

HO–ONO
Peroxynitric acid 39G2 163.2G8.4 Derived 1978BAL/GOL

HO–ONO2
Methyl hydroperoxide (1) 45.2G1 189.1G4.2 (1) Derived from (1) 1996NIST
HO–OCH3 DfH0 in ref.
(2) 47.4G1.5 198.3G6.3 (2) Derived from (2) 2001DOR/NOV
DfH0 in ref.
(3) w42.6G1, at 0 K w178.2G4 (3) LIF (3) 2005MAT/SIN(b)
Hydroperoxy methyl K24.6 K102.9 Derived This volume

HO–OCH2
(continued)
BDEs (boldfaceZ
recommended data;
Trifluoromethyl hydroperoxide 48.1G5 201.3G20.9 Derived from 2003NASA/JPL

HO–OCF3 DfH0 in ref.
Ethyl hydroperoxide 42.7G1.5 178.7G6.3 Derived from 1996NIST

HO–OC2H5 DfH0 in ref.
iso-Propyl hydroperoxide 44.4G1.5 185.8G6.3 Derived from 1996NIST

HO–O-iso-C3H7 DfH0 in ref.
tert-Butyl hydroperoxide (1) 44.8G0.5 187.4G2.1 (1) Pyrolysis (1) 1992SAH/RIG

HO–O-tert-C4H9 (2) 44.5G1 186.2G4.2 (2) Derived from (2) 1996NIST
DfH0 in ref.
1-Hydroperoxy-2,2- 46.3G1.9 193.7G7.9 Pyrolysis 1974BAT/CHR

dimethylpropane
HO–OCH2C(CH3)3
Alkyl hydroperoxide 44–46 184–192 Review 2000REI/PRA

HO–OR
Zeroane 47.6G2 199.2G8.4 Derived from 2003FEL/DIX

HO–OC(O)H DfH0 in ref.
Methaneperoxycarboxylic acid 40.6G0.5 169.9G2.1 Pyrolysis 1992SAH/RIG

HO–OC(O)CH3
Ethaneperoxycarboxylic acid 40.6G0.5 169.9G2.1 Pyrolysis 1992SAH/RIG

HO–OC(O)C2H5
Dimethyl peroxide (1) 37.6G2 157.3G8.4 (1) Pyrolysis (1) 1974BAT/CHR

CH3O–OCH3 (2) 40.0G1.5 167.4G6.3 (2) Derived from (2) 1996NIST
DfH0 in ref.
(3) 42.8G2 179.1G8.4 (3) Derived from (3) 2001DOR/NOV

DfH0 in ref.
(4) 36.2G0.1 151.4G0.4 (4) Re-analyzed (4) 2004TUM/DEN(b)
Ditrifluoromethyl peroxide (1) 40.6G5 170G21 (1) Derived (1) 1972LEV/KEN

CF3O–OCF3 (2) 46.7G0.8 195.4G3.3 (2) Derived (2) 1972KEN/LEV
(3) 46.2G1 193.3G4.2 (3) Pyrolysis (3) 1976DES/FOR
(4) 47.5G0.5 198.7G2.1 (4) VLPP (4) 2000REI/PRA
Diethyl peroxide (1) 38.7G1 161.9G4.2 (1) Pyrolysis (1) 1974BAT/CHR

C2H5O–OC2H5 (2) 39.7G1.3 166.1 (2) Derived from (2) 1996NIST
DfH0 in ref.
Dipropyl peroxide (1) 37.1G1 155.2G4.2 (1) Pyrolysis (1) 1974BAT/CHR

nC3H7O–OnC3H7 (2) 35.8 149.6 (2) Re-analyzed (2) 2004TUM/DEN(b)
di-iso-Propyl peroxide (1) 37.7 157.7 (1) Pyrolysis (1) 1974BAT/CHR

iso-C3H7O–O-iso-C3H7 (2) 36.9G0.2 154.2G0.9 (2) Re-analyzed (2) 2004TUM/DEN(b)
Dibutyl peroxide 36.4 152.4 Re-analyzed 2004TUM/DEN(b)

n-C4H9O–O-n-C4H9
Disec-butyl peroxide (1) 36.4G1 152.3G4.2 (1) Pyrolysis (1) 1983BAT

sec-C4H9O–O-sec-C4H9 (2) 36.4 152.3 (2) Re-analyzed (2) 2004TUM/DEN(b)
Ditert-butyl peroxide (1) 38.0G1 159.0G4.2 (1) Pyrolysis (1) 1983BAT

tert-BuO–O-tert-Bu (2) 38.2G0.5 159.8G2.1 (2) Pyrolysis (2) 1992SAH/RIG
DfH0 in ref.
(4) 38.9G0.5 162.8G2.1 (4) VLPP (4) 2000REI/PRA
(5) 37.5G2.4 156.7G9.9 (5) PAC (5) 2001SAN/MUR
tert-Butyl-tert-amyl peroxide 39.3 164.4 Derived 1980ISL

tert-BuO–O-tert-Am
Dineopentyl peroxide (1) 36.4G1 152.3 (1) Pyrolysis (1) 1977TRE/WRI

tert-BuCH2O–OCH2-tert-Bu (2) 34.2 143.2 (2) Re-analyzed (2) 2004TUM/DEN(b)
(continued)
BDEs (boldfaceZ
recommended data;
di-1,1-Dimethylpropyl (1) 39.3G1 164.4G4.2 (1) VLPP (1) 1973PER/GOL

peroxide (2) 35.5 148.7 (2) Re-analyzed (2) 2004TUM/DEN(b)
EtC(Me)2O–OC(Me)2Et
di-1,1-Di-tert-butyl-propyl
peroxide 33.7 140.8 Re-analyzed 2004TUM/DEN(b)
t-BuC(Me)2O–OC(Me)2tBu
di-1,1-Diethylethyl peroxide 35.5 148.4 Re-analyzed 2004TUM/DEN(b)

MeC(Et)2O–OC(Et)2Me
Di-tert-nonafluorobutyl peroxide 35.5G1.1 148.5G4.6 Pyrolysis 1977IRE/GOR

(CF3)3CO–OC(CF3)3
Dialkyl peroxide
Me3CO–OR
RZCMe2Et 35.8 149.7 Re-analyzed 2004TUM/DEN(b)
CMe2Pr 36.8 154.2
C(Me)2CHMe2 35.6 148.8
CMe2CH2Cl 35.9 150.0
CMe2CMe3 35.2 147.4
CMe2Ph 35.9 150.0
CMe2CH2Ph 35.9 150.3
Peroxide, substituted
O
OtC(CH3)3
35.8 149.6 Re-analyzed 2004TUM/DEN(b)
O
Peroxide, substituted
OtC(CH3)3
O 35.7 149.2 Re-analyzed 2004TUM/DEN(b)
di-1,1-Dimethylbenzyl peroxide 33.3G0.3 139.5G1.4 Re-analyzed 2004TUM/DEN(b)

PhC(Me)2O–OC(Me)2Ph
Hexaphenyl peroxide 31.4 131.4 Electrochemical 2004DON/WOR

Ph3CO–OCPh3
Peroxides, substituted
O
OtC(CH3)3
Y
CH3
CH3
YZp-CH3O 35.7 149.3 Re-analyzed 2004TUM/DEN(b)
m-CH3O 35.8 149.8
p-Cl 35.7 149.6
p-NO2 36.1 151.0
di(Sulfur pentafluoro)
peroxide 37.2 155.6 Pyrolysis 1978CZA/SCH
SF5O–OSF5
Sulfur peroxide 20.6G3 86.2G12.6 Laser photolysis 2001TUC/BAD

FC(O)O–OS(O2)F
di(Sulfur pentafluoro) trioxide 30.3 126.8 Pyrolysis 1981CZA/SCH

SF5O–OOSF5
tert-Butyl 1,1-dimethyl-1- 47 196.6 Pyrolysis 1978MAR/COM

silaethyl peroxide
(CH3)3CO–OSi(CH3)3
2,2-Diethyl-2-germabutyl tert- 46 192.5 Pyrolysis 1964SKI

butyl peroxide
tert-BuO–OGeEt3
2,2-Diethyl-2-stannabutyl tert- 46 192.5 Pyrolysis 1961HER

butyl peroxide
tert-BuO–OSnEt3
HOOO radical (1) 1.8G2 7.5G8.4 (1) Derived from (1) This volume
HO–OO DfH0 in ref.
(2) 4–7 17–29 (2) LP (2) 2005SMI/ROB
Trioxygen bromide radical 42.0 175.6 Derived 2000XIE/SCH

O–OOBr
(continued)
BDEs (boldfaceZ
recommended data;
ROOO radical
CH3O–OO K3G3 12.6G12.6 Derived from This volume
DfH0 in ref.
C2H5O–OO K2G3 K8.4G12.6
Trifluoromethoxy-trifluoro- 30.3G2 126.8G8.4 Pyrolysis 1981CZA/SCH

methyl peroxide
CF3OO–OCF3
Chlorofluorotrioxide 58.4 244.3 Review 1970ONE/BEN

FClOO–O
Chlorotrioxide 7.7! 32.2! Derived from 2003NASA/JPL

ClO–OO DfH0 in ref.
Tetrahydrofuran-2-yl-peroxy 32 133.9 PAC 2000KRA/CIR

C4H7O–OO
Dioxan-2-yl-peroxy 34 142.3 PAC 2000KRA/CIR

C4H7O2–OO
Bifluoroformyloxy 23 96.2 Pyrolysis 2003MAX/BUR

FC(O)O–OC(O)F
Peroxyacetyl nitrate 31.4G2 131.4G8.4 Derived from 2003NASA/JPL

CH3C(O)O–ONO2 DfH0 in ref.
Perfluorinated peroxide 34.0G0.7 142.3G2.9 FT-IR 2005PAC/ARG

CF3OC(O)O–OCF3
Diacetyl peroxide (1) 30.4G2 127.2G8.4 (1) Photodetach. (1) 1975REE/BRA

CH3C(O)O–OC(O)CH3 (2) 36 150.6 (2) Derived (2) 1998COL/GRE
(3) 33.5G5 140.2G21 (3) Derived from (3) 2001DOR/NOV
DfH0 in ref.
(4) 30.2G0.1 126.2G0.5 (4) Correlation (4) 2005TUM/DEN
Bis(trifluoroacetyl) peroxide 30 125.5 Kinetics 2001KOP/WIL

CF3C(O)O–OC(O)CF3
Perfluorinated peroxide 29G1 121.3G4.2 FT-IR 2005PAC/ARG

CF3OC(O)O–OC(O)F
Bis(trifluoromethyl) peroxy- 28.5 119.2 Pyrolysis 2003MAX/BUR

dicarbonate
CF3OC(O)O–OC(O)OCF3
Propanoyloxy propanoate (1) 30.4G2 127.2G8.4 (1) Photodetach. (1) 1975REE/BRA

C2H5C(O)O–OC(O)C2H5 (2) 36 150.6 (2) Derived (2) 1998COL/GRE
Butanoyloxy butanoate (1) 30.4G2 127.2G8.4 (1) Photodetach. (1) 1975REE/BRA

nC3H7C(O)O–OC(O)nC3H7 (2) 36 150.6 (2) Derived (2) 1998COL/GRE
2-Methylpropanoyloxy 2- 26.8 112.2 Correlation 2005TUM/DEN

methylpropanoate
iC3H7C(O)O–OC(O)iC3H7
Pentanoyloxy pentanoate 29.6 124.0 Correlation 2005TUM/DEN

nC4H9C(O)O–OC(O)nC4H9
Acyl peroxides
RC(O)O–OC(O)R
RZnC5H11 30.0 125.4 Correlation 2005TUM/DEN
nC6H13 29.8G0.2 124.8G0.7
nC7H15 30.0G0.3 125.4G1.1
nC8H17 29.7G0.2 124.2G0.8
nC9H19 29.8 124.5
nC11H23 29.9G0.2 125.2G1.0
nC13H27 30.9 129.2
(continued)
BDEs (boldfaceZ
recommended data;
nC15H31 29.6 123.7

nC17H35 29.7 124.3
Acyl peroxides
RC(O)O–OC(O)R
RZ 30.9G0.5 129.1G1.9 Correlation 2005TUM/DEN
29.6 123.7
28.4 118.8
27.4 114.8
27.5 115.0
30.6 127.9
30.3 126.8
30.3 126.9
C6H5 30.8G0.3 128.9G1.1

o-CH3–C6H4 28.8 120.7
m-CH3–C6H4 30.7G0.3 128.6G1.3
p-CH3–C6H4 30.4G0.2 127.4G0.8
o-Cl–C6H4 29.5 123.6
m-Cl–C6H4 30.9G0.5 129.3G1.9
p-Cl–C6H4 30.7 128.4
o-Br–C6H4 29.3 122.5
m-Br–C6H4 31.2 130.6
p-Br–C6H4 30.9 129.4
o-CH3O–C6H4 28.3 118.5
m-CH3O–C6H4 30.4 127.1
p-CH3O–C6H4 30.0G0.3 125.4G1.3
m-NO2–C6H4 30.7 128.5
p-NO2–C6H4 30.6 128.0
p-t-C4H9–C6H4 30.6 127.9
PhCH2 30.5 127.5
Acyl peroxides
RC(O)O–OC(O)CH3
RZnC3H7 30.7 128.6 Correlation 2005TUM/DEN
nC4H9 30.4 127.1
nC5H11 30.5 127.5
nC6H13 30.3 126.6
Acyl peroxides 28.5 119.4 Correlation 2005TUM/DEN

nC3H7C(O)O–OC(O)C2H5
Acyl peroxides
RC(O)O–OC(O)CH3
RZcyclo-C6H11 30.3 126.7 Correlation 2005TUM/DEN
C6H5 30.3 126.6
2,4,6-Trimethyl-C6H2 29.3 122.4
o-Cl–C6H4 30.2 126.3
m-Cl–C6H4 29.5 123.4
o-Br–C6H4 30.0 125.4
m-Br–C6H4 29.5 123.6
p-Br–C6H4 29.2 122.1
m-CH3–C6H4 30.5 127.8
p-CH3–C6H4 30.5 127.8
p-CH3O–C6H4 30.3 126.6
m-NO2–C6H4 32.6 136.2
Acyl peroxides
RC(O)O–OC(O)Ph
RZCH2Cl 30.6 128 Correlation 2005TUM/DEN
C2H5 31.0 129.5
C3H7 31.0 129.5
CH2CH(CH3)2 31.0 129.7
nC7H15 30.4 127.3
Peroxydisulfuryl difluoride 22–24 92–100 ESR 1969NUT/VIN

FS(O)2O–OS(O)2F
Peroxodiphosphate 18.4G4.3 77G18 PAC 2003MES/BIL

[O3PO–OPO3]4K
Peroxodisulfate 28.7G2.6 120G11 PAC 2000BRU/CHU

[O3SO–OSO3]2K
(continued)
BDEs (boldfaceZ
recommended data;
Ascaeidole
O
28.5 119.2 Electrochemical 2004DON/WOR
O
DPA–O2 (endoperoxide, 9,10-

diphenyl-9,10-epidioxyn-
thracene)
OO
Ph
Ph
DMA–O2 (endoperoxide, 9,10-

dimethyl-9,10-
epidioxynthracene)
OO
CH3
CH3
Flavins, substituted
R10
CH3 N N O
10 1
4a 3
CH3
5 N
N R3 !26 !108.8 Electrochemical 1991MER/LIN
O O
R5
O
R
Artemisinin
CH3
O
O
O
O 23–24 96.2–100.4 Electrochemical 1998DON/WOR
O
CH3
CH3
6.3 O–C bonds

6.3.1 O–C bonds in alcohols
Table 6.3.1 O–C BDEs in Alcohols
BDEs (boldfaceZ
recommended data;
Methods
The broken bonds (reference in
Trifluoromethanol %115.2G0.3 %482.0G1.3 PIMS 1997ASH/APP

HO–CF3
Trifluoromethylhypofluorite 97.5G4 408G17 Derived from DfH0 1996NIST

FO–CF3 in ref.
Methanol (1) 92.2G0.2 385.8G0.8 (1) Derived from (1) 1986PED/NAY

HO–CH3 DfH0 in ref.
(2) 92.8 388.3 (2) Derived (2) 2001MIR/KOS
(3) 92.00G0.17 384.93G0.71 (3) Recommended (3) 2002RUS/WAG
Ethynol 134.6 563.2 Derived from DfH0 1996NIST

HO–CbCH in ref.
Ethenol 111.1 464.8 Derived from DfH0 1996NIST

HO–C2H3 in ref.
Ethanol 93.5G0.7 391.2G2.9 Derived from DfH0 1986PED/NAY

HO–C2H5 in ref.
2,2,2-Trifluoroethanol 97.6G2 408.4G8.4 Derived from DfH0 2002CRC

HO–CH2CF3 in ref.
Allyl alcohol 79.5G1 332.6G4.2 Derived from DfH0 1986PED/NAY

HO–CH2CHaCH2 in ref.
2-Propen-1-ol 102.5G1.5 428.9G6.3 Derived from DfH0 1994PED

HO–CHaCHCH3 in ref.
(continued)
Table 6.3.1 (continued) O–C BDEs in Alcohols
BDEs (boldfaceZ
recommended data;
Methods
1-Propanol 93.7G0.7 392.0G2.9 Derived from DfH0 1986PED/NAY

HO–nC3H7 in ref.
2-Propanol 95.1G1 397.9G4.2 Derived from DfH0 1986PED/NAY

HO–iso-C3H7 in ref.
1-Butanol 93.2G1 389.9G4.2 Derived from DfH0 1986PED/NAY

HO–nC4H9 in ref.
2-Butanol 94.7G1 396.1G4.2 Derived from DfH0 1986PED/NAY

HO–sec-C4H9 in ref.
2-Methyl-1-propanol 94.2G1 394.1G4.2 Derived from DfH0 1986PED/NAY

HO–iso-C4H9 in ref.
2-Methyl-2-propanol 95.2G1 398.3G4.2 Derived from DfH0 1986PED/NAY

HO–tert-C4H9 in ref.
1-Pentanol 92.3G1.5 386.2G6.3 Derived from DfH0 2002CRC

HO–nC5H11 in ref.
2-Pentanol 95.2G1 398.3G4.2 Derived from DfH0 2002CRC

HO–CH(CH3)(nC3H7) in ref.
3-Pentanol 95.4G1 399.2G4.2 Derived from DfH0 2002CRC

HO–CH(C2H5)2 in ref.
2-Methyl-2-butanol 94.6G1.5 395.8G6.3 Derived from DfH0 2002CRC

HO–C(CH3)2(C2H5) in ref.
1-Hexanol 92.4G2 386.6G8.4 Derived from DfH0 2002CRC

HO–C6H13 in ref.
2-Hexanol 95.6G1.5 400.0G6.3 Derived from DfH0 2002CRC

HO–C6H13 in ref.
Phenol 110.8G1.0 463.6G4.2 Derived from DfH0 1986PED/NAY

HO–C6H5 in ref.
Pentafluorophenol (1) 107 447.7 (1) Derived (1) 1975CHO/GOL

HO–C6F5 (2) 106.8G2.2 446.9G9.2 (2) Derived from (2) 1996NIST
DfH0 in ref.
Benzyl alcohol (1) 81.2 339.7 (1) VLPP (1) 1979ROS/GOL

HO–CH2C6H5 (2) 79.9G0.6 334.1G2.6 (2) Derived from (2) 2004VER/TAT
DfH0 in ref.
a, a-Dimethylbenzyl alcohol 81.1G1.5 339.3G6.3 Derived from DfH0 1999VER

HO–C(CH3)2C6H5 in ref.
cyclo-Pentanol 92.2G1.5 385.8G6.3 Derived from DfH0 1986PED/NAY

cyclo-C5H9–OH in ref.
1-Hydroxy-1,3,4-trichloro
cyclo-pentadiene
Cl OH
69.8 292 Derived from DfH0 2003BUR/KHA

in ref.
Cl Cl
cyclo-Hexanol 95.3G1.5 398.7G6.3 Derived from DfH0 1986PED/NAY

cyclo-C6H11–OH in ref.
Adamantanol
OH
12
1-OH (1) 92.0 384.9 (1) Derived from (1) 1988LIA/BAR

DfH0 in ref.
(2) 91.6 383.3 (2) Derived (2) 2002MIR/LEB
(continued)
Table 6.3.1 (continued) O–C BDEs in Alcohols
BDEs (boldfaceZ
recommended data;
Methods
(3) 94.6 395.8 (3) Derived from (3) 2002MIR/LEB

DfH0 in ref.
2-OH (1) 98.0 410.0
1-Naphthol 112.0G1.5 468.6G6.3 Derived from DfH0 1986PED/NAY

1-C10H7–OH in ref.
2-Naphthol 111.8G1.5 467.8G6.3 Derived from DfH0 1986PED/NAY

2-C10H7–OH in ref.
Dimethylaminomethanol 74.2G1.5 310.4G6.3 Derived from DfH0 1986PED/NAY

(CH3)2(NH2)C–OH in ref.
Pyridinol, HO–pyridinyl
5 6
4 1N
HO 3 2
2-OH 95.4G1 399.2G4.2 Derived from DfH0 1986PED/NAY

in ref.
3-OH 112.8G2 472.0G8.4
4-OH 112.2G2 469.4G8.4
Polyols
HOCH2–OH (1) 98.3 411.3 (1) Derived from (1) 1969BEN/CRU
DfH0 in ref.
CH3CH(OH)–OH (1) 98.7 413.0
HOCH2CH2–OH (2) 81.0 338.9 (2) Derived (2) 2001MIR/KOS
(HOCH2)2CH–OH (2) 80.2 335.6
HOCH2CH(OH)CH2–OH (2) 79.6 333.0
(HOCH2)3CCH2–OH (2) 80.2 335.6
6.3.2 O–C bonds in ethers

Table 6.3.2 O–C BDEs in Ethers
BDEs (boldfaceZ
recommended data;
reference in parentheses) Methods
(boldfaceZdissociated group) kcal/mol kJ/mol parantheses) References
Dimethyl ether 84.1G1.0 351.9G4.2 Derived from 1986PED/NAY

CH3–OCH3 DfH0 in ref.
Iodomethyl methyl ether 89.2G3 373.2G12.6 Derived from 1996NIST

ICH2–OCH3 DfH0 in ref.

CH3–OC2H5 DfH0 in ref.

CH3O–C2H5 DfH0 in ref.
2-Chloroethyl methyl ether 88.5G2 370.3G8.4 Derived from 1996NIST

CH3O–CHClCH3 DfH0 in ref.
Divinyl ether (1) 64.1G1.2 268G5 (1) PA (1) 2001BOU/ROO

C2H3–OC2H3 (2) 78.1G2.5 326.8G10.5 (2) Derived from (2) 2002CRC
DfH0 in ref.
Ethyl vinyl ether 102.1G1.5 427.2G6.3 Derived from 1986PED/NAY

C2H3–OC2H5 DfH0 in ref.
Ethyl vinyl ether 65.2G2.5 272.8G10.5 Derived from 2002CRC

2-Chloroethyl vinyl ether 66.0G2.5 276.1G10.5 Derived from 2002CRC

CH2ClCH2–OC2H3 DfH0 in ref.
Diethyl ether 85.4G1.5 357.3G6.3 Derived from 1986PED/NAY

(continued)
Table 6.3.2 (continued) O–C BDEs in Ethers
BDEs (boldfaceZ
recommended data;
2-Chloroethyl ethyl ether 91.0G2 380.7G8.4 Derived from 2002CRC

CH2ClCH2–OC2H5 DfH0 in ref.
1-Chloroethyl methyl ether 88.5G1.5 370.3G6.3 Derived from 1996NIST

CH3CHCl–OCH3 DfH0 in ref.
1-Chloroethyl ethyl ether 90.1G2.0 377.0G8.4 Derived from 1996NIST

CH3CHCl–OCH3 DfH0 in ref.
Methyl 2-methyl-vinyl ether 66.3 277.4 VLPP 1978ZAB/BEN

CH3–OC(CH3)aCH2
Methyl propyl ether 84.8G1.5 354.8G6.3 Derived from 1994PED

CH3–OnC3H7 DfH0 in ref.
Methyl propyl ether 85.7G1.5 358.6G6.3 Derived from 1994PED

CH3O–nC3H7 DfH0 in ref.
iso-Propyl methyl ether 83.7G1.5 350.2G6.3 Derived from 2002CRC

CH3–O-iso-C3H7 DfH0 in ref.
iso-Propyl methyl ether 86.2G1.0 360.7G4.2 Derived from 2002CRC

CH3O–iso-C3H7 DfH0 in ref.


C2H5O–C3H7 DfH0 in ref.
Propyl vinyl ether 103.0G2.2 431.0G9.2 Derived from 1986PED/NAY

Propyl vinyl ether 65.5G2.5 274.1G10.5 Derived from 1994PED

Butyl methyl ether 82.7G1.5 346.0G6.3 Derived from 2002CRC

C4H9–OCH3 DfH0 in ref.
Butyl methyl ether 84.4G1.5 353.1G6.3 Derived from 2002CRC

C4H9O–CH3 DfH0 in ref.
tert-Butyl methyl ether 84.4G1.5 353.1G6.3 Derived from 1986PED/NAY

tert-C4H9–OCH3 DfH0 in ref.
tert-Butyl methyl ether 82.2G1.5 343.9G6.3 Derived from 2002CRC

tert-C4H9O–CH3 DfH0 in ref.
Butyl vinyl ether 100.2G2 419.2G8.4 Derived from 1986PED/NAY

nC4H9O–C2H3 DfH0 in ref.
Butyl vinyl ether 65.3G2.5 273.2G10.5 Derived from 2002CRC

nC4H9–OC2H3 DfH0 in ref.
tert-Butyl ethyl ether 83.4G1.5 348.9G6.3 Derived from 2002CRC

tert-C4H9–OC2H5 DfH0 in ref.
tert-Butyl ethyl ether 82.9G1.5 346.9G6.3 Derived from 2002CRC

tert-C4H9O–C2H5 DfH0 in ref.
Dipropyl ether 86.5G2.2 361.9G9.2 Derived from 1986PED/NAY

(continued)
BDEs (boldfaceZ
recommended data;
Diiso-propyl ether 85.3G2.0 356.9G8.4 Derived from 1986PED/NAY

iso-C3H7–O-iso-C3H7 DfH0 in ref.
2-Ethyl-2-methylpropane 85.3G2.0 356.9G8.4 Derived from 1994PED

(C2H5)C(CH3)2–OCH3 DfH0 in ref.
tert-Butyl isopropyl ether 85.6G2.0 358.2G8.4 Derived from 1994PED

tert-C4H9–O-iso-C3H7 DfH0 in ref.
tert-Butyl isopropyl ether 86.1G2.0 360.2G8.4 Derived from 1994PED

tert-C4H9O–iso-C3H7 DfH0 in ref.
Dibutyl ether 83.3G2.0 348.5G8.4 Derived from 1986PED/NAY

nC4H9–O-nC4H9 DfH0 in ref.
Disec-butyl ether 85.9G2.0 359.4G8.4 Derived from 1986PED/NAY

sec-C4H9–O-sec-C4H9 DfH0 in ref.
Ditert-butyl ether 77.6G2.0 324.7G8.4 Derived from 1986PED/NAY

tert-C4H9–O-tert-C4H9 DfH0 in ref.
Butyl tert-butyl ether 84.1G2.0 351.9G8.4 Derived from 1994PED

nC4H9–O-tert-C4H9 DfH0 in ref.
Butyl tert-butyl ether 83.2G2.0 348.1G8.4 Derived from 1994PED

nC4H9O–tert-C4H9 DfH0 in ref.
sec-Butyl tert-butyl ether 85.8G2.0 359.0G8.4 Derived from 1994PED

tert-C4H9–O-sec-C4H9 DfH0 in ref.
sec-Butyl tert-butyl ether 86.5G2.0 361.9G8.4 Derived from 1994PED

tert-C4H9O–sec-C4H9 DfH0 in ref.
iso-Butyl tert-butyl ether 84.4G2.0 353.1G8.4 Derived from 1994PED

iso-C4H9–O-tert-C4H9 DfH0 in ref.
Pentyl tert-butyl ether 83.5G2.0 349.4G8.4 Derived from 1994PED

nC5H11-O–tert-C4H9 DfH0 in ref.
Methoxybenzene or anisole 100.1G1.4 418.8G5.9 Derived from 1986PED/NAY

C6H5–OCH3 DfH0 in ref.
Methoxybenzene or anisole (1) 64.8 271.1 (1) VLPP (1) 1989SUR/KAF

CH3–OC6H5 (2) 65.2 272.8 (2) Tubular flow (2) 1993ARE/LOU
reactor
(3) 65.3 273.2 (3) VLPP (3) 2001PRA/HEE
(4) 62.9G1.0 263.2G4.2 (4) Derived from (4) 1986PED/NAY
DfH0 in ref.
Methyl pentafluorophenyl ether 60.8 254.4 VLPP 1989SUR/KAF

CH3–OC6F5
Anisoles, substituted
O CH3
Y
YZm-F (1) 64.4 269.4 VLPP (1) 1989SUR/KAF(b)
o-F (1) 61.6 257.7 (2) 1989SUR/KAF
p-F (1) 62.4 261.1 (3) 2001PRA/HEE
m-Cl (2) 63.7 266.5
o-Cl (2) 61.3 256.5
p-Cl (2) 62.4 261.1
o-Br (2) 61.8 258.6
m-NH2 (1) 63.1 264.0
o-NH2 (1) 56.1 234.7
p-NH2 (1) 60.5 253.1
m-OH (2) 63.8 266.9
o-OH (2) 56.3 235.6
(3) 58.1 243.1
p-OH (2) 61.0 255.2
(3) 62.6 261.9
m-Me (1) 63.0 263.6
o-Me (1) 60.9 254.8
p-Me (1) 61.6 257.7
m-MeO (2) 62.4 261.1
o-MeO (2) 59.3 248.1
(3) 61.2 256.1
p-MeO (2) 59.3 248.1
(3) 62.2 260.2
o-CH2OH (1) 61.0 255.2
m-COCH3 (1) 63.7 266.5
(continued)
BDEs (boldfaceZ
recommended data;
o-COCH3 (1) 62.0 259.4

p-COCH3 (1) 64.1 268.2
o-CHaCH2 (1) 61.0 255.2
m-CN (1) 64.6 270.3
o-CN (1) 63.4 265.3
p-CN (1) 63.8 266.9
(4) 73.6 307.9 (4) Electrochem. (4) 2002AND/FAR
m-NO2 (1) 63.0 263.6
o-NO2 (1) 62.1 259.8
p-NO2 (1) 64.6 270.3
p-CF3 (3) 67.5 282.4
2-CHO-4-OH (3) 62.3 260.7
Ethyl phenyl ether (1) 64.1 268.2 (1) VLPP (1) 1977COL/ZAB
C2H5–OC6H5 (2) 64.3G1.2 269.0G4.8 (2) Derived from (2) 1986PED/NAY
DfH0 in ref.
Ethyl phenyl ether 99.6G1.3 416.7G5.4 Derived from 1996NIST

Phenyl vinyl ether (1) 70.0 292.9 (1) Pyrolysis (1) 1993HEN
C2H3,–OC6H5 (2) 77.8G1.2 325.5G4.8 (2) Derived from (2) 1986PED/NAY
DfH0 in ref.
(3) 76.0 318.0 (3) Pyrolysis (3) 1997SCH/DOR
Phenyl vinyl ether (1) 76.6G5 320.5G20.9 (1) Derived from (1) 1986PED/NAY
(1-Methoxyethyl)benzene 74.9G2.3 313.4G9.6 Derived from 2001VER/HEI

C6H5CH(CH3)–OCH3 DfH0 in ref.
(1-Ethoxyethyl)benzene 74.6 G2.3 312.1G9.6 Derived from 2001VER/HEI

C6H5CH(CH3)–OC2H5 DfH0 in ref.
(1-Propoxyethyl)benzene 75.5G2.3 315.9G9.6 Derived from 2001VER/HEI

C6H5CH(CH3)–OC3H7 DfH0 in ref.
(1-iso-Propoxyethyl)benzene 72.9G2.3 305.0G9.6 Derived from 2002VER/HEI

C6H5CH(CH3)–OCH(CH3)2 DfH0 in ref.
(1-Butoxyethyl)benzene 73.0G2.3 305.4G9.6 Derived from 2001VER/HEI

C6H5CH(CH3)–C4H9 DfH0 in ref.
(1-sec-Butoxyethyl)benzene 73.5G2.3 307.5G9.6 Derived from 2001VER/HEI

C6H5CH(CH3)–O-sec-C4H9 DfH0 in ref.
Diphenyl ether (1) 75.0 313.8 (1) Pyrolysis (1) 1993ARE

C6H5–OC6H5 (2) 78.1G1 326.8G4.2 (2) Derived from (2) 1986PED/NAY
DfH0 in ref.
Allyl phenyl ether 49.8G2 208.4G8.4 VLPP 1977COL/ZAB

CH2aCHCH2–OC6H5
Phenyl benzyl ether 52.1 218.0 Pyrolysis 1993ARE

C6H5CH2–OC6H5
Naphonyl ethers, substituted
4 1 O R
3 2
RZCH3 (1) 57.5 240.6 (1) VLPP (1) 1989SUR/KAF

(2) 61.6 257.7 (2) Electrochem. (2) 2002AND/FAR
3,4-Benzoanisole
4 1 O CH3
3 2 61.0 255.2 VLPP 1989SUR/KAF
1-[(4-Benzolphenoxy)methyl]- w68 w285 Photolysis 1997ADM/SCH

naphthalene
4-PhC(O)C6H4O–CH2K1-
C8H7
(continued)
BDEs (boldfaceZ
recommended data;
Piperidinol, substituted
R
O
CH3 CH3
N
CH3 CH3
RZCH3 (1) 47G1 196.6 (1) VLPP 1999CIR/KOR
c-C6H11 (2) 40G1 167.4 (2) PAC
C6H7(1,4-cyclohexadienyl) (2) 18G1 75.3
C4H7O(a-tetrahydrofuryl) (2) 48G1 200.8
(C2H5)2NCHCH3 (2) 38G1 159.0
C6H5CH2 (3) 32 133.9 (3) Re-analyzed
C6H5CHCH3 (3) 30 126
C6H5C(CH3)2 (3) 26 108.8
(Phenylmethoxy) piperidine,
substituted
X
N
O
R1 R2
R1 R2 X
H H H 30.6 128.0 Thermolysis 1998SKE/BEL
Me H H 28.4 118.8
Me Me H 24.6 102.9
H H OH 31.4 131.4
Tropylium phenoxides,
substituted
Y O
YZH (1) 25.5G0.5 106.7G6.3 AOP (1) 1993ARN/FLO(b)

(2) 26.8 112 (2) 1996HAN/HUA
F (1) 25.8G0.4 107.9G1.7
(2) 25.8 108
Cl (1) 28.7G0.6 120.1G2.5
(2) 28.7 120
Br (1) 28.2G0.6 118.0G2.5
Me (2) 22.0 92
NO2 (1) 30.9G0.8 129.3G3.3
(2) 30.8 129
CN (1) 29.4G0.4 123.0G1.7
(2) 29.4 123
MeO (1) 21.4G0.5 89.5G2.1

(2) 21 88
MeC(O) (2) 29.4 123
Phenylxanthylium
phenoxides, substituted
Y O Ph
O
YZH 25.3 106 AOP 1996HAN/HUA
p-CN 27.2 114
p-Me 22.0 92
p-MeO 20.8 87
p-MeC(O) 28.0 117
Thiphenylmethylium
phenoxides, substituted
O CPh3
Y
YZH 37.0 155 AOP 1996HAN/HUA
p-F 34.7 145
p-Cl 39.7 166
p-Br 34.4 144
p-Me 32.5 136
p-tBu 34.4 144
p-MeO 31.8 133
p-MeC(O) 39.0 163
p-CN 39.7 166
p-NO2 39.9 167
6.3.3 O–C bonds in acids, esters and anhydrides

Table 6.3.3 O–C BDEs in Acids, Ethers and Anhydrides
BDEs (boldfaceZ
recommended data;
Methods
Methyl formate (1) 86.8 363.2 (1) ECD (1) 1989CHE/ALB

CH3–OC(O)H (2) 91.7G3 383.7G12.6 (2) Derived from (2) 1996NIST
DfHo in ref.
Formic acid 109.4G0.5 457.7G2.1 Derived from 1994LIA/LIE

HC(O)–OH DfHo in ref.
(continued)
Table 6.3.3 (continued) O–C BDEs in Acids, Ethers and Anhydrides
BDEs (boldfaceZ
recommended data;
Methods
Acetic acid (1) 109.8G1 459.4G4.2 (1) Derived from (1) 1994LIA/LIE
CH3C(O)–OH DfHo in ref.
(2) 109.0 456.2 (2) Derived (2) 2005TUM/DEN
Propenoic acid 107.2G2.5 448.5G10.5 Derived from 1996NIST

C2H3C(O)–OH DfHo in ref.
Propanoic acid (1) 110.1G2 460.8G8.4 (1) Derived from (1) 1986PED/NAY
(2) 106.1 444.0 (2) Derived (2) 2005TUM/DEN
Butanoic acid 109.3 457.5 Derived 2005TUM/DEN

C3H7C(O)–OH
2-Methyl-propanoiacid 107.8 451.2 Derived 2005TUM/DEN

iso-C3H7C(O)–OH
Pentanoic acid 109.7 458.8 Derived 2005TUM/DEN

C4H9C(O)–OH
2-Methyl-butanoic acid 108.7 454.8 Derived 2005TUM/DEN

C2H5CH(CH3)C(O)–OH
2,2-Dimethyl-propanoiacid 110.9 463.8 Derived 2005TUM/DEN

tert-C4H9C(O)–OH
Decanoic acid 109.3 457.3 Derived 2005TUM/DEN

nC9H19C(O)–OH
Benzoic acid (1) 107.0G2.5 447.7G10.5 (1) Derived from (1) 1996NIST
(2) 101.7 425.4 (2) Derived (2) 2005TUM/DEN
2-Phenylacetic acid 106.7 446.6 Derived 2005TUM/DEN

C6H5CH2C(O)–OH
Glycolic acid 88.0G2.5 368.2G10.5 Derived from 2001DOR/NOV

HO–CH2C(O)OH DfHo in ref.
Methyl acetate 90.9G3 380.3G12.6 Derived from 2002CRC

CH3C(O)O–CH3 DfHo in ref.
Methyl formate 101.8G1 425.9G4.2 Derived from 1994PED

HC(O)–OCH3 DfHo in ref.
Methyl acetate 101.4G1.5 424.3G6.3 Derived from 2002CRC

CH3C(O)–OCH3 DfHo in ref.
Ethyl chloroformate 102.2G2 427.6G8.4 Derived from 20023CRC

ClC(O)–OC2H5 DfHo in ref.
Methyl acrylate 99.3G2 415.5G8.4 Derived from 1988LIA/BAR

CH2aCHC(O)–OCH3 DfHo in ref.
Ethyl acetate 91.7G3 383.7G12.6 Derived from 1986PED/NAY

C2H5–OC(O)CH3 DfHo in ref.
Ethyl acetate 100.5G3 420.5G12.6 Derived from 1986PED/NAY

C2H5O–C(O)CH3 DfHo in ref.
iso-Propyl acetate 93.1G3 389.5G12.6 Derived from 1994PED

iso-C3H7–OC(O)CH3 DfHo in ref.
Butyl acetate 91.6G3 383.3G12.6 Derived from 2002CRC

nC4H9–OC(O)CH3 DfHo in ref.
tert-Butyl acetate 91.9G3.5 384.5G14.6 Derived from 1996NIST

tert-C4H9–OC(O)CH3 DfHo in ref.
(continued)
Table 6.3.3 (continued) O–C BDEs in Acids, Ethers and Anhydrides
BDEs (boldfaceZ
recommended data;
Methods
Phenyl acetate 102.9G3.5 430.5G14.6 Derived from 1996NIST

C6H5–OC(O)CH3 DfHo in ref.
Methyl benzoate (1) 87.5G4 366.1G16.7 Derived from (1) 1996NIST

CH3–OC(O)C6H5 (2) 89.1G4 372.8G16.7 DfHo in ref. (2) 2002ROU/TEM
Phenyl benzoate 103.2G4 431.8G16.7 Derived from 1996NIST

C6H5–OC(O)C6H5 DfHo in ref.
Vinyl acetate 75.8G1.5 317.1G6.3 Derived from 2002CRC

CH3C(O)–OC2H3 DfHo in ref.
Vinyl acetate 80.3G3 336.0G12.6 Derived from 1994PED

Formic acid phenyl ester 73.1G2 305.9G8 Derived from 1994PED

HC(O)–OC6H5 DfHo in ref.
Acetic acid phenyl ester 76.0G2 318.0G8.4 Derived from 1986PED/NAY

Methyl benzoate (1) 100.7G3 421.3G12.6 Derived from (1) 1996NIST

C6H5C(O)–OCH3 (2) 98.8G3 413.4G12.6 DfHo in ref. (2) 2002ROU/TEM
Phenyl benzoate 75.7G2 316.7G8.4 Derived from 1996NIST

C6H5C(O)–OC6H5 DfHo in ref.
Dimethoxymethane 87.8G2 367.5G8.4 Derived from 2002CRC

CH3OCH2–OCH3 DfHo in ref.
Acetic anhydride (1) 83.5 349.4 (1) ECD (1) 1989CHE/ALB

CH3C(O)–OC(O)CH3 (2) 91.4G3 382.4G12.6 (2) Derived from (2) 1986PED/NAY
DfHo in ref.
Benzoic anhydride 92.0G4 384.9G16.7 Derived from 1986PED/NAY

C6H5C(O)–OC(O)C6H5 DfHo in ref.
6.3.4 O–C bonds in peroxides and peroxys

Table 6.3.4 O–C BDEs in Peroxides and Peroxys
BDEs (boldfaceZ
recommended data;
The broken bonds
(boldfaceZ Methods (reference
dissociated group) kcal/mol kJ/mol in parentheses) References
0
Methyl hydroperoxide 71.8G3 300.4G12.6 Derived from DfH 2001DOR/NOV
CH3–OOH in ref.
Ethyl hydroperoxide 79.4G5 332.2G20.9 Derived from DfH0 1986PED/NAY

C2H5–OOH in ref.
Propyl hydroperoxide 87.1 364.4 Derived from DfH0 1996NIST

nC3H7–OOH in ref.
iso-Propyl hydroperoxide 71.3 298.3 Derived from DfH0 1996NIST

iso-C3H7–OOH in ref.
tert-Butyl hydroperoxide 73.9G1 309.2G4.2 Derived from DfH0 1986PED/NAY

tert-C4H9–OOH in ref.
Hexyl-1 hydroperoxide 70.1 293.3 Derived from DfH0 1969BDE/CRU

nC6H13–OOH in ref.

(n-Bu)(Me)C–OOH in ref.
(continued)
Table 6.3.4 (continued) O–C BDEs in Peroxides and Peroxys
BDEs (boldfaceZ
recommended data;
The broken bonds

(iso-Pr)(Et)C–OOH in ref.
Heptyl-2 hydroperoxide 72.3 302.5 Derived from DfH0 1969BDE/CRU

(nC5H11)(Me)C–OOH in ref.
cyclo-Hexyl hydroperoxide 73.8 308.8 Derived from DfH0 1969BDE/CRU

cyclo-C6H11–OOH in ref.
Dimethyl peroxide (1) 67.3G1.5 281.6G6.3 Derived from DfH0 (1) 1986PED/NAY
CH3–OOCH3 (2) 69.9G2 292.5G8.4 in ref. (2) 2001DOR/NOV
Bis(trifluoromethyl) peroxide 86.4G2 361.5G8.4 Pyrolysis 1983BAT/WAL

CF3–OOCF3
Diethyl peroxide 67.7G2.5 283.2G10.5 Derived from DfH0 1969BDE/CRU

C2H5–OOC2H5 in ref.
tert-Butylperoxide 70.7G2 295.8G8.4 Derived from DfH0 1986PED/NAY

tert-C4H9–OO-tert-C4H9 in ref.
Methyl peroxy (1) O30.3 O126.8 (1) VLPR (1) 1984KON/BEN

CH3–OO (2) 32.2G1.5 134.7G6.5 (2) Equilibrium (2) 1982KHA/NIA
(3) 32.4G0.7 135.6G2.9 (3) Derived (3) 1992LIG/COX
(4) 32.7G0.9 137.0G3.8 (4) Re-analyzed (4) SLA(b/SLA(b)
Trifluoromethyl peroxy 40.4 169.0 Derived from DfH0 2004JAN/ROS

CF3–OO in ref.
Chlorodifluoromethyl peroxy 30.5 127.6 Derived from DfH0 1992LIG/COX

CClF2–OO in ref.
Dichlorofluoromethyl peroxy 29.8 124.7 Derived from DfH0 1992LIG/COX

CCl2F–OO in ref.
Chloromethyl peroxy (1) 28.9 120.9 (1) Derived (1) 1992LIG/COX

CH2Cl–OO (2) 29.3G2.5 122.4G10.5 (2) Re-analyzed (2) 1998KNY/SLA(b)
Dichloromethyl peroxy (1) 25.3 105.9 (1) Derived (1) 1992LIG/COX

CHCl2–OO (2) 25.9G2.0 108.2G8.2 (2) Re-analyzed (2) 1998KNY/SLA(b)
Trichloromethyl peroxy (1) 19.7G0.9 82.4G3.8 (1) Derived (1) 1992LIG/COX

CCl3–OO (2) 22G1.5 92.0G6.4 (2) Re-analyzed (2) 1998KNY/SLA(b)
Ethyl peroxy (1) 34.1G0.5 142.7G2.1 (1) PIMS (1) 1990WAG/SLA

C2H5–OO (2) 35.2G1.5 147.2G6.3 (2) Derived (2) 1992LIG/COX
(3) 31.3G1.1 131.0G4.6 (3) Review (3) 1997BEN/COH
(4) 35.5G2.0 148.4G8.4 (4) Re-analyzed (4) 1998KNY/SLA(b)
Vinyl peroxy 47.3G1.0 197.9G4.0 Derived from DfHo 2002SEB/BOC

C2H3–OO in ref.
2-Chloroethyl peroxy 31.4G0.4 131.2G1.8 Re-analyzed 1998KNY/SLA(b)

CH3CHCl–OO
2,2-Dichloroethyl peroxy 26.8G0.5 112.2G2.2 Re-analyzed 1998KNY/SLA(b)

CH3CCl2–OO
iso-Propyl peroxy (1) 39.7 166.1 (1) PIMS (1) 1985SLA/RAT

iso-Pr–OO (2) 37.7G1.8 157.9G7.5 (2) Derived (2) 1992LIG/COX
(3) 32.2G1.3 134.7G5.4 (3) Review (3) 1997BEN/COH
Allyl peroxy (1) 18.2 76.1 (1) Photolysis (1) 1982MOR/PIL

CH2ZCHCH2–OO (2) 18.4 77.0 (2) PIMS detect. (2) 1998KNY/SLA
(continued)
Table 6.3.4 (continued) O–C BDEs in Peroxides and Peroxys
BDEs (boldfaceZ
recommended data;
The broken bonds
2-Chloroallyl peroxy 18.3G0.7 76.5G2.8 PIMS 2005SHE/KNY

CH2CClCH2–OO
2-Chloro-2-methylethyl-peroxy 32.5G0.9 136.0G3.8 Re-analyzed 1998KNY/SLA(b)

(CH3)2CCl–OO
tert-Butyl peroxy (1) 30.2G1.1 126.4G4.6 (1) VLPR (1) 1983HEN/BEN

tert-Bu–OO (2) 36.7G1.9 153.6G7.9 (2) PIMS (2) 1986SLA/RAT
(3) 36.7G1.9 153.6G7.9 (3) Derived (3) 1992LIG/COX
Butenyl-2-peroxy 15.2G2.0 63.6G8.4 Derived from DfH0 1998KNY/SLA

CH3CHCHCH2–OO in ref.
Pentadienyl peroxy 13.4G1.2 56G5 Pulsed LP 2001ZIL/INO

(CH2CH)2CH–OO
neo-Pentyl peroxy 36.3 151.9 Derived from DfH0 2004SUN/BOZ

neo-C5H11–OO in ref.
cyclo-Hetyl peroxy 24 100.4 PAC 2000KRA/CIR

cyclo-C6H11–OO
cyclo-Hexenyl peroxy 19.2G1.0 80.4G4.2 Pulsed LP 1998ZIL/INO

cyclo-C6H9–OO
cyclo-Hexadienyl peroxy 12 50.2 PAC 2000KRA/CIR

cyclo-C6H7–OO
Benzyl peroxy (1) 22G1.5 92.0G6 (1) Photolysis (1) 1993FEN/NOZ

C6H5CH2-OO (2) 21G1 87.9G4.2 (2) LIF (2) 1993ELM/MIN
a-OH-methyl peroxy (1) 16.3G0.3 68.2G1.3 (1) Review (1) 1997BEN/COH

HOCH2–OO (2) 34.6 144.8 (2) Derived from (2) 1992LIG/COX
DfH0 in ref.
Vinoxy peroxy 24.1G1 101G4 LP 2006DEL/FIT

HC(O)CH2–OO
1-Methylvinoxy peroxy 25.1G0.5 105G2 LP 2006HAS/DEL

CH3C(O)CH2-OO
Adduct of 10.4G0.5 43.6G2 UV absorption 2004GRE/KRA

hydroxycyclohexadienyl
C6H6(OH)–OO
a-NH2-methyl peroxy 36.5G1.8 152.8G7.4 Re-analyzed 1998KNY/SLA(b)

NH2CH2–OO
Pyrrolidin-2-yl-peroxy 10 41.8 PAC 2000KRA/CIR

cyclo-C4H8N-OO
(Ethylmethylamino)methyl- 25 104.6 PAC 2000KRA/CIR

peroxy
(C2H5)N(CH3)CH2–OO
Acetyl peroxy 34.5G2 144.4G8.4 Derived from DfH0 2003NASA/JPL

CH3C(O)–OO in ref.
Zeroane 69.3 290.0 Derived from DfH0 2003FEL/DIX

HC(O)–OOH in ref.
Acetyl peroxide 75.3 315.1 Derived from DfH0 1969BDE/CRU

CH3C(O)–OOC(O)CH3 in ref.
6.3.5 O–C bonds in other species

Table 6.3.5 O–C BDEs in Other Species
BDEs (boldfaceZ
recommended data;
(boldfaceZdissociated atom (reference in
or group) kcal/mol kJ/mol parentheses) References
Carbon monoxide 257.26G0.16 1076.38G0.67 Derived from 1998CHA

C–O DfH0 in ref.
Carbon dioxide 127.2G0.1 532.2G0.4 Spectroscopy 1970DAR

OZCO
Carbon oxysulfide (1) 159.9G0.9 668.9G3.8 (1) GIB MS 1990PRI/ARM

OZCS (2) 159.7G0.3 668.0G1.4 (2) Derived from 1996NIST
DfH0 in ref.
Formaldehyde, halogened
CF2ZO 168.8 706.1 Derived from 1996NIST
CCl2ZO 166.2 695.2 DfH0 in ref.
CBr2ZO 164.1 686.4
Formaldehyde 180.6 755.6 Derived from 1996NIST

OZCH2 DfH0 in ref.
Methanisocynate 133G4 556.5G16.7 Review 1978BEN

OZCNCH3
Trifluoromethyl hypochlorite %88.4G0.3 %369.9G1.3 PIMS 1997ASH/APP

ClO–CF3
Methyl nitrite 58.6 245.2 Derived from 1996NIST

CH3–ONO DfH0 in ref.
Ethyl nitrite 62.2 260.2 Derived from 1996NIST

C2H5–ONO DfH0 in ref.
Propyl nitrine 59.6G1.5 249.4G6.3 Derived from 1996NIST

nC3H7–ONO DfH0 in ref.
iso-Propyl nitrine 60.8G1.5 254.4G6.3 Derived from 1996NIST

iso-C3H7–ONO DfH0 in ref.
Butyl nitrine 61.3G1.5 256.5G6.3 Derived from 1996NIST

nC4H9–ONO DfH0 in ref.
iso-Butyl nitrine 60.7G1.5 254.0G6.3 Derived from 1996NIST

iso-C4H9–ONO DfH0 in ref.
sec-Butyl nitrine 60.6G1.5 253.6G6.3 Derived from 1996NIST

sec-C4H9–ONO DfH0 in ref.
tert-Butyl nitrine 60.4G1.5 252.7G6.3 Derived from 1996NIST

tert-C4H9–ONO DfH0 in ref.
2-Methylbytanyl nitrine 60.7G2 254.0G8.4 Derived from 1996NIST

(C2H5)(CH3)2C–ONO DfH0 in ref.
Methyl nitrate (1) 81.9G0.5 342.7G2.1 (1) Derived from (1) 1996NIST
CH3–ONO2 DfH0 in ref.
(2) 81.0 338.9 (2) Derived (2) 2001MIR/KOS
Ethyl nitrate (1) 83.0G1.0 347.3G4.1 (1) Derived from (1) 1996NIST
C2H5–ONO2 DfH0 in ref.
(2) 79.5 332.6 (2) Derived (2) 2001MIR/KOS
Propyl nitrate 79.6 333.0 Derived 2001/MIR/KOS

nC3H7–ONO2
iso-Propyl nitrate 80.2 335.6 Derived 2001MIR/KOS

iso-C3H7–ONO2
(continued)
Table 6.3.5 (continued) O–C BDEs in Other Species
BDEs (boldfaceZ
recommended data;
Nitrates
R–ONO2
RZCH2CH2ONO2 73.5 307.4 Derived 2001MIR/KOS
CH2CH(ONO2)CH2ONO2 77.2 323.0
CH2C(CH2ONO2)3 74.2 310.5
CH(CH2ONO2)2 69.6 291.2
1-Adamantyl nitrate
ONO2
1 2 (1) 79.7 333.3 (1) Derived 2002MIR/LEB
(2) 82.1 343.6 (2) Derived from
DfH0 in ref.
1-Methoxy-1,1-dimethyl-1- 96.3 403 Derived 1998BEC/WAL

silaethane
Me–OsiMe3
1-Ethoxy-1,1-dimethyl-1- 98.5 412 Derived 1998BEC/WAL

silaethane
Et–OSiMe3
2H-3,4-Dihydropyran
O
2,3-Dihydro-1,4-dioxin
O
O
Chromane
O
2,3-Dihydro-1,4-benzodioxin
O
60.2 252 Tubular flow 1994SCH/ARE
O reactor
1-Nitroadamantane
ONO2 (1) 58.8 246.0 (1) Derived 2002MIR/LEB
1 2 (2) 62.2 260.2 (2) Derived from
DfH0 in ref.
Methoxyacetonitrile 94.0 393.3 Derived from 1996NIST

CH3O–CH2CN DfH0 in ref.
Ethoxyacetonitrile 94.0 393.3 Derived from 1996NIST

C2H5O–CH2CN DfH0 in ref.
Methoxy-1-thiol 50G5 209G21 Est. by exp. 2000AMA/WIE

HSO–CH3
Methoxymethylthio 48G4 201G17 Est. by exp. 2000AMA/WIE

CH3SO–CH3
Cinnamyl-4-nitrobenzene
sulfonate
p-NO2–C6H4SO–R w28 w117 NMR 2000AMA/WIE
RZCH2CHCHC6H5
Tungsten alkoxide !33G10 !138G42 Est. by exp. 1997CRE/MAY

WO-alkyl
6.3.6 O–C bonds in radicals

Table 6.3.6 O–C BDEs in Radicals
BDEs (boldfaceZ
recommended data;
HO–C%H2 106.3G1 444.8G4.2 Derived This volume
HO–CHClC%H2 31.4G3 131.4G12.6 Derived from 1996NIST

HO–CCl2C%H2 33.2G3 138.9G12.6 DfH0 in ref.
HO–CH2C%H(CH3) 32.6G3 136.4G12.6
HO–CH2C%H2 30.1G2.5 125.9G10.5
HO–CH(CH3)C%H2 28.8G3 120.5G12.6
%
HO–C(CH3)2C H2 39.8G3 166.5G12.6
CH3–O% 90.1G0.8 377.0G3.3 Derived from 2002ERV/DET

DfH0 in ref.
CH2ZCHCH2–O% 79.7G1 333.5G4.2 Derived from 2000LEE/CHE

DfH0 in ref.
C6H5CH2–O% 82.4G3 344.8G12.6 Derived This volume

HC(O)–O% 99.8G3 417.6G12.6
CH3–OC%H2 9.1G2 38.1G8.4 Derived from 1996NIST

CH3–OC%HCH3 8.1G2 33.9G8.4 DfH0 in ref.
CH3CH2–OC%H2 13.2G3 55.2G12.6
%
CH3CH2–OC HCH3 7G3 29.3G12.6
C6H5C(O)–OC%H2 18.5G3 77.4G12.6
trans-HO–C%(O) 29.0G1 121.3G4.2 Derived from 1996NIST

%
cis-HO–C (O) 35.0 146.4 DfH0 in ref.
CH3–OC%(O) K16.6G2 K69.5G8.2 Derived from 1996NIST

CH3O–C%(O) 16.7G2 69.9G8.2 DfH0 in ref.
HO–C(O)C%H2 47.5G4 198.7G16.7

CH3O–C(O)C%H2 40.2G3 168.2G12.6
CH3CH2O–C(O)C%H2 44.9G3 187.9G12.6
%
C6H5O–C(O)C H2 K2.6G2 10.9G8.4
CF3O–CO2 K17G5 K71G21 Derived from 2005PAC/ARG

DfH0 in ref.
HOO–CH2C%H2 4.7G1.5 19.7G6.3 Derived from 1996NIST

–CH2C%HCH3 5.6G2 23.4G8.4 DfH0 in ref.
–CH(CH3)C%H2 7.5G2.5 31.4G10.5
–CH2C%(CH3)2 6.2G2.5 25.9G10.5
%
–C(CH3)2C H2 5.4G2.5 22.6G10.5
–C(O)C%H2 15.4G2.5 64.4G10.5
6.4 O–N bonds

Table 6.4 O–N BDEs
BDEs (boldfaceZ
recommended data;
Nitric oxide (1) 150.71G0.03 630.57G0.13 (1) Spectrometry (1) 1979HUB/HER

O–N (2) 150.96G0.04 631.62G0.18 (2) Review (2) 2005ACR/PIL
Dinitrogen oxide (1) 39.0G0.5 163.2G2.1 (1) Photo impact (1) 1967DIB
O–N2 (2) 40.0G0.1 167.4G0.4 (2) Derived from (2) 2002CRC
DfH0 in ref.
Nitrogen dioxide (1) 72.9 305.0 (1) Review (1) 1965BEN

O–NO (2) 73.22G0.20 306.36G0.82 (2) Derived from (2) 1996NIST
DfH0 in ref.
(3) 73.19G0.10 306.24G0.41 (3) Review (3) 2005ACR/PIL
16
O–14N16O 71.846G0.001, 300.604G0.004 LIF 2004MIC/JOS
0K
18
O–14N18O 71.932G0.001 300.965G0.004
16
O–15N16O 71.883G0.001 300.759G0.004
18
O–15N18O 71.970G0.001 301.121G0.001
(continued)
Table 6.4 (continued) O–N BDEs
BDEs (boldfaceZ
recommended data;
16
O–14N18O 71.853G0.001 300.632G0.004
16
O–15N18O 71.890G0.001 300.787G0.004
Nitrate (1) 48.7G0.3 203.8G1.4 (1) PD (1) 1993DAV/KIM

O–NO2 (2) 49.3G0.3 206.3G1.4 (2) Derived from (2)2001IUPAC
DfH0 in ref.
Dinitrogen tetroxide 77.2 322.9 Derived from 1998CHA

O–N(O)NO2 DfH0 in ref.
Nitric oxide dimer 9.7G0.5 40.6G2.1 Review 1976BEN

NO–NO
Dinitrogen pentoxide 22.8G0.4 95.4G1.5 Derived from 2001IUPAC

O2N–ONO2 DfH0 in ref.
Nitrosyl hydride 98.1 410.4 Derived from 1996NIST

HO–N DfH0 in ref.
Nitrous acid 49.5 207.0 Derived from 2001IUPAC

cis-HO–NO DfH0 in ref.
trans-Nitrous acid 47.95G0.05, 0 K 200.64G0.19 DROPS 2000REI/ABE

trans-HO–NO
Fluoronitrooxy 31.7G4 132.5G17 Derived from 2003NASA/JPL

FO–NO DfH0 in ref.
cis-Chloronitrooxy 30.5G2 127.6G8.4 Derived from 2003NASA/JPL

cis-ClO–NO DfH0 in ref.
trans-Chloronitrooxy 27.9G2 116.6G8.4 Derived from 2003NASA/JPL

trans-ClO–NO DfH0 in ref.
cis-Bromonitrooxy 33.0G2 138.1G8.4 Derived from 2003NASA/JPL

cis-BrO–NO DfH0 in ref.
trans-Bromonitrooxy 29.1G2 121.6G8.4 Derived from 2003NASA/JPL

trans-BrO–NO DfH0 in ref.
trans-Perp-HOONO 27.3G1 114.2G4 Derived 2002HIP/NAS

HOO–NO
Methyl nitrite (1) 41.8G1 174.9G4.2 (1) Pyrolysis (1) 1977BAT/MIL

CH3O–NO (2) 42.2G0.8 176.6G3.3 (2) Derived from (2) 1996NIST
DfH0 in ref.
Ethyl nitrite (1) 42.0G1.3 175.7G5.4 (1) Pyrolysis (1) 1977BAT/MIL

C2H5O–NO (2) 44.3G1.0 185.4G4.2 (2) Derived from (2) 1996NIST
DfH0 in ref.
Propyl nitrite (1) 40.1G1.8 167.8G7.5 (1) Pyrolysis (1) 1974BAT/CHR

nC3H7O–NO (2) 42.8G1.5 179.1G6.3 (2) Derived from (2) 1996NIST
DfH0 in ref.
iso-Propyl nitrite (1) 41.0G1.3 171.5G7.5 (1) Pyrolysis (1) 1974BAT/CHR

iso-C3H7O–NO (2) 41.9G1 175.3G4.2 (2) Derived from (2) 1996NIST
DfH0 in ref.
Butyl nitrite 42.5G1.5 177.8G6.5 Pyrolysis 1974BAT/CHR

nC4H9O–NO
iso-Butyl nitrite 42.0G1.5 175.7G6.5 Pyrolysis 1974BAT/CHR

iso-C4H9O–NO
sec-Butyl nitrite 41.5G0.8 173.6G3.3 Pyrolysis 1974BAT/CHR

sec-C4H9O–NO
(continued)
BDEs (boldfaceZ
recommended data;
tert-Butyl nitrite (1) 40.9G0.8 171.1G3.3 (1) Pyrolysis (1) 1974BAT/CHR

tert-C4H9O–NO (2) 42.1G1.4 176.1G5.9 (2) Derived from (2) 1996NIST
DfH0 in ref.
tert-Amyl nitrite 40.9G1 171.1G0.4 Kinetics 1979ISL

tert-AmO–NO
Alkyl nitrite 40.8G1 170.7G4.2 Review 1981BAT/ROB

RO–NO
Phenyl nitrite 20.8 87.0 Kinetics 1998BER/CAR

C6H5O–NO
Nitric acid 49.1 205.4 Derived from 2001IUPAC

HO–NO2 DfH0 in ref.
Fluoronitrooxy 31.5G3 131.8G12.6 Derived from 2003NASA/JPL

FO–NO2 DfH0 in ref.
Chloronitrooxy 26.7G0.5 111.8G2.1 Derived from 1990AND/FAH

ClO–NO2 DfH0 in ref.
Bromonitrooxy 28.2G1.5 118.0G6.3 Kinetics 1996ORL/TYN

BrO–NO2
Iodomonitrooxy (1) O25.4 O106 Review (1) 1996ORL/TYN

IO–NO2 (2) 22.7–32.3 95–135 (2) 2006GOL
(3 )w24 w100 (3) 2006DIL/BLI
Alkyl nitrate 40.7G0.5 170.3G2.1 Review 1981BAT/ROB

RO–NO2
Methyl nitrate 42.1G1.0 176.1G4.2 Derived from 1986PED/NAY

CH3O–NO2 DfH0 in ref.
Ethyl nitrate 41.7G1.0 174.5G4.2 Derived from 1986PED/NAY

C2H5O–NO2 DfH0 in ref.
Propyl nitrate 42.3G1 177.0G4.2 Derived from 1986PED/NAY

C3H7O–NO2 DfH0 in ref.
iso-Propyl nitrate 42.0G1 175.7G4.2 Derived from 1986PED/NAY

iso-C3H7O–NO2 DfH0 in ref.
Nitric peracid (1) 23G2 96.2G8.4 (1) Pyrolysis (1) 1978BAL/GOL

HOO–NO2 (2) 22.8G0.8, 0 K 95.3G3.4 (2) Derived (2) 1995ZAB
(3) 23.7G1.1 99.2G4.6 (3) Derived from (3) 2005GIE/JIM
DfH0 in ref.
Methyl nitroperoxy 20.7G2 86.6G8.4 Derived from 1983PAT/GOL

CH3OO–NO2 DfH0 in ref.
Trifluoromethyl nitroperoxy 25 105 Kinetics 1990DES/TRO

CF3OO–NO2
Chlorodifluoromethyl 25.5 106.7 Derived from 1991KOP/ZAB

nitroperoxy DfH0 in ref.
CF2ClOO–NO2
Dichlorofluoromethyl 25.5 106.7 Derived from 1991KOP/ZAB

nitroperoxy DfH0 in ref.
CFCl2OO–NO2
Trichloromethyl nitroperoxy 22.9 95.8 Derived from 1991KOP/ZAB

CCl3OO–NO2 DfH0 in ref.
Ethyl nitroperoxy 16.5G3 69.0G12.6 Derived from 1990DES/TRO

C2H5OO–NO2 DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
Peroxyacetyl nitrate (1) 26G2 108.8G8.4 (1) Pyrolysis (1) 1977HEN/KEN

CH3C(O)OO–NO2 (2) 28.4G0.7 118.8G2.9 (2) Kinetics (2) 1991BRI/CAR
1-Methylvinyl nitroperoxy 26G2 108.8G8.4 Pyrolysis 1977HEN/KEN

CH2aC(CH3)OO–NO2
(Hydroxyimino)ethane 49.7 207.9 Review 1970ONE/BEN

HO–NaCHCH3
Nitroso formate, substituted

O
R NO
O
RZCH3 35.2 147.3 AOP 2000XIA/ZHU
CH2CH3 37.9 158.6
CH(CH3)2 36.7 153.6
Nitroso benzoate, substituted

O
O NO
Y
YZH 33.9 141.8 AOP 2000XIA/ZHU
Br 34.3 143.5
Me 32.8 137.2
MeO 32.5 136.0
NO2 38.6 161.5
Hydroxylamine 63.0G2 263.6G8.4 Derived from 1999AND

HO–NH2 DfH0 in ref.
Methoxyamine 54.6 228.4 Derived from 1988LIA/BAR

CH3O–NH2 DfH0 in ref.
N,N-Difluorohydroxylamine 35 146 MS 1965PAU/LUS

O-fluorosulfate
FSO2O–NF2
Methylhydroxylamine 64.9 271.5 Derived from 1988LIA/BAR

HO–NHCH3 DfH0 in ref.
N-Methyoxymethanamine 57.5 240.6 Derived from 1994NIST

CH3O–NHCH3 DfH0 in ref.
Nitro compounds
CH3N(O)–O 94.0G0.8 393.4G3.5 Derived 2005ACR/PIL
(CH3)3CN(O)–O 94.9G1.2 397G5
Trialkyl-N-oxides
R3N–O
RZCH3 61.2G1.2 256G5 Calorimetry 1995ACR/TUC
C2H5 16.0G1.2 67G5
n-C4H9 K17.7G1.4 K74G6
Nitro compounds
C6H5CH2N(O)–O 93.9G0.8 393G7 Derived 2005ACR/PIL
(1-Adamantanyl)N(O)–O 95.6G1.2 400G5
Nitrobenzyl compounds
O
N
Y O
YZH (1) 93.7G1 392G8 (1) Derived 2005ACR/PIL
2,6-(CH3)2 (1) 90.9G0.5 380.4G2.3
2,4,6-(CH3)3 (1) 91.6G0.7 383.4G2.9
2,4,6-(tBu)3 (1) 76.9G1.7 321.7G7.0
2-NO2 (1) 78.0G0.6 326.4G2.6
4-N(CH3)2 (1) 88.8G0.8 371.4G3.5
4-OH (2) 92.1G1.0 385.3G4.2 (2) Derived from
DfHo in ref.
Nitromethyl radical 72G6 301G25 Derived 1993CYR/LEA

C.H2N(O)–O
Alkyl nitrate
RON(O)–O
RZCH3 73.0G1.1 305.3G4.4 Calorimetry 2005ACR/PIL
(continued)
BDEs (boldfaceZ
recommended data;
C2H5 72.2G1.1 302.0G4.6

n-C3H7 72.7G1.0 304.3G4.3
iso-C3H7 73.3G1.0 306.7G4.3
1-Nitropiperidine
O
N N 74.2G0.6 310.3G2.4 Calorimetry 2005ACR/PIL
O
N-Nitromorpholine
O
O N N 69.9 292.3 Calorimetry 2005ACR/PIL
O
Furazan N-oxides, substituted

Y 45
N3 21 N O
O
YZ4,5-Me2 60.8G1.0 254.2G4.0 Calorimetry 1996ACR/BOT
4,5-(CH2ONO2)2 57.1G0.5 238.8G2.1
4,5-(CN)2 57.4G2.4 240G10
Furoxans
R R
N N
O
O
RZCH3 60.7 254.0 Calorimetry 1971MAT/PEP
CH2ONO2 57.1G0.9 238.9G3.8 1975PEP/MAT
Pyridine N-oxides,
substituted
5 6
4 1N O
Y 3 2
YZH (1) 63.3G0.5 264.9G2.0 Calorimetry (1) 1998SIL/MAT

(2) 72.1G0.7 301.7G2.8 (2) 1988LI/PIL

2-Me (1) 62.1G0.6 259.9G2.4
3-Me (1) 63.2G0.6 264.6G2.6
4-Me (1) 62.7G0.8 262.4G3.4
(3) 65.7G1.2 274.7G5 (3) 1995LEB/CHI
(4) 62.4G0.8 261.1G3.4 (4) 2005ACR/PIL
3-CN (1) 60.8G0.7 254.3G3.1
4-CN (1) 63.5G1.1 265.5G4.6
2-OH (5) 66.6G0.5 278.8G2.3 (5) 2004SIL/MAT
3-OH (1) 60.9G1.1 255.0G4.8
3-HOO (6) 60.4G0.6 252.8G2.7 (6) 1995ACR/TUC
2-C(O)OH (1) 65.9G1.2 275.9G5.1
3-C(O)OH (5) 60.4G0.6 252.8G2.7
4-C(O)OH (1) 62.0G1.2 259.5G5.0
3-NO2 (7) 64 267.8 (7) 1969MIR/LEB
4-NO2 (3) 65.7G1.2 274.6G5
(6) 61.8G1.3 258.5G5.3
3-Me-4-NO2 (1) 63.0G1.7 263.4G7.1
3-NH2C(O) (8) 71.7G1.2 300.3G5.0 (8) 2001SIL/GON
4-NH2C(O) (8) 69.0G0.9 288.6G3.7
2,4,6-(NO)3 (3) 42.3G1.2 176.8G5
4-C6H5 (9) 60.6G1.2 253.7G5.1 (9) 2005SOU/ACR
Benzonitrile N-oxide,
substituted
C N O
Y
YZ2,4,6-Me3 53.1G1.1 222.2G4.6 Calorimetry 1991ACR/TUC

2,4,6-(MeO)3 55.6G0.9 232.8G3.8
2,3-Diazabicyclo[2.2.1]-hept-
2-ene N-oxide
78.6G0.4 328.7G1.7 Derived 2005ACR/PIL
N
N O
Benzofurazan N-oxides,
substituted
O
7 N
6 1
5 2
3
4 N
Y
YZH (1) 60.0G0.7 250.9G3.0 Calorimetry (1) 1990LEI/PIL
5-Cl (2) 58.3G0.8 244.1G3.5 (2) 1996ACR/BOT
(continued)
BDEs (boldfaceZ
recommended data;
5-Me (2) 59.7G0.8 249.8G3.2

5-MeO (2) 59.3G0.9 248.0G3.7
4-NO2 (2) 61.2G1.6 255.9G6.7
5-NO2 (3) 60.7G1.4 254G6 (3) 2005ACR/PIL
Azoxy compounds
R N N R
RZiPr 79.2G0.9 331.5G3.8 Calorimetry 1986KIR/ACR

tBt 76.8G1.0 321.2G4.2
Azoxybenzenes, substituted
O
N N
Y Y'
E-Structure (1) 76.8G0.7 321.5G2.9 (1) Calorimetry (1) 1986KIR/PIL
Y, Y 0 ZH (2) 73.9G0.8 309.4G3.5 (2) Calorimetry, (2) 1993ACR/TUC(b)
revised
4-CH3O (3) 75.6G1.8 316.4G7.6 (3) Calorimetry (3) 2005ACR/PIL
4-C2H5O (3) 76.4G1.7 319.8G7.1
Z-Structure (4) 62.8G0.8 262.8G3.3 (4) Calorimetry (4) 1989ACR/KIR
Y, Y 0 ZH
Benzylidene N-oxides,
substituted
O
CH N R
Y
E-Structure
RZtBu, YZH (1) 67.7G1.6 283.1G6.5 Calorimetry (1) 1989ACR/KIR
4-NO2 (1) 68.7G1.2 287.6G5.1
4-iPr (1) 68.3G1.9 285.9G7.9
RZPh, YZH (2) 63.3G0.7 264.9G3.0 (2) 1986KIR/ACR
4-MeO (2) 63.9G1.5 267.3G6.4
4-iPr (2) 63.9G1.5 267.5G6.1
2-OH (2) 70.5G1.4 294.8G6.0
(3) 57.1G1.1 238.9G4.6 (3) 2002LEB/CHI
di-N-Oxides
RN(O)aN(O)R 65.8G0.8 275.1G3.3 Derived 1989ACR/KIR
RZtBu
2,3-Diazabicyclo[2.2.1]-hept-
2-ene N-oxide
78.6G0.4 328.7G1.7 Review 2005ACR/PIL
O
N
N
4,4’-Dinitroazoxyfurazan
73.3G3.1 306.6G13 Review 2005ACR/PIL
NO2 O NO2
N
N N N
O N N O
4,4’-Diaminoazoxyfurazan
81.5G3.1 341.2G13 Review 2005ACR/PIL
NH2 O NH2
N N
N N
O N N O
di-N-Oxides
O O
N N
Y Y'
YZY 0 ZH (1) 62.8G0.8 262.8G3.3 (1) Derived (1) 1975PEP/LEB

(2) 73.9G0.9 309.4G3.6 (2) Review (2) 2005ACR/PIL
2-NO2 (2) 73.9G1.4 309.4G6.0
2-CH3 (2) 74.0G3.2 309.5G13.5
2-C2H5 (2) 73.9G2.6 309.4G10.7
2,4,6-(CH3)3 (2) 73.9G3.3 309.4G13.6
(continued)
BDEs (boldfaceZ
recommended data;
Quinoline N-oxides,
substituted
O
N
8 1 2
Y 7
6 5 43
YZ6-OCH3 64.3G1.2 269.2G5.0 Calorimetry 2003SIL/SAN
2-Amino-3-quinoixalinecarbo-
nitrile-1,4-dioxide
O
2nd step
CN
62.6 261.9 Combined 2004SIL/GOM
NH2 58.0 242.5
1st step
O
2-Amino-3-quinoixalinecarbo-
nitrile-1,4-dioxide
O
1st step
CN
58.7 245.7 Combined 2004SIL/GOM
NH2 61.9 258.8
2nd step
O
Phenazine N-oxide
N 67.1G1.3 280.7G5.6 Calorimetry 1990LEI/PIL
N
2-Hydroxyphenazine-di-N-
oxide
O
N OH
61.4 256.9 Combined 2005GOM/SOU
N
O
N OH

N
oxide
O OH
N
N
oxide
OH
N
N
Benzo furoxans
O
N
N N O
O (1) 58.2G1.9 243.5G7.9 (1) Calorimetry (1) 2002MAT/LEB(b)
N N (2) 59.1G1.8 247.2G7.7 (2) Review (2) 2005ACR/PIL
N
O
(continued)
BDEs (boldfaceZ
recommended data;
O O
N
N N O
O (1) 57.8G1.8 241.8G7.5
(2) 57.7G1.8 241.6G7.4
N N
N
O
O O
N
N N O
O
(1) 57.4G1.5 240.2G6.3
N N (2) 56.7G1.5 237.1G6.1
N
O
O
6.5 O–S bonds

Table 6.5 O–S BDEs
BDEs (boldfaceZ
recommended data;
Sulfur monoxide (1) 124.7 521.7 (1) Review (1) 1970DAR

OaS (2) 123.78G0.01 517.90G0.05 (2) Spectroscopy (2) 1994CLE/COL
(3) 123.6G2.6 517.1G10.9 (3) Spectroscopy (3) 2000RED/AHA
Oxythio radical 36.2 151.5 Derived from 1993BAL/CAS

O–SH DfH0 in ref.
Sulfur dioxide (1) 132G2 552.3G8.4 (1) Spectroscopy (1) 1970DAR

OaSO (2) 130.1G0.2, 0 K 544.3G0.9 (2) Spectroscopy (2) 1971OKA
(3) 131.7 551.1 (3) Derived from (3) 1996NIST
DfH0 in ref.
Sulfur trioxide 83.3 348.5 Derived 1978BEN

OaSO2
Disulfur oxide 103.8 434.3 Derived from 1996NIST

OaSS DfH0 in ref.
Formylthio 71G4 297.1G16.7 Derived 1978BEN

OaSH2
Fluoroformyl fluoride 118.7 496.6 Derived from 1996NIST

OaSF2 DfH0 in ref.
Chloroformyl chloride
OaSClx
xZ1 (1) 99G6 414G25 Derived (1) 1978TAK
2 (1) 104G2 435.1G8
(2) 105 439.3 (2) 1978BEN
Sulfuryl fluoride (1) 109G27 456G113 (1) Derived (1) 1978TAK

OaS(O)F2 (2) 110G5 460G21 (2) Derived (2) 1978BEN
(3) 122.7 513.3 (3) MS (3) 1996MIL/NES
DfH0 in ref.
Sulfuryl chloride
OaS(O)Clx
xZ1 (1) 104G7 435G29 Derived (1) 1978TAK
2 (1) 92G2 384.9G8
(2) 95 397.5 (2) 1978BEN
Sulfurous acid 118G6 493.7G25 Derived 1978BEN

OaS(OH)2
Sulfur tetrafluorooxide 102G6 426.8G25 Derived 1978BEN

OaSF4
Dimethyl sulfoxide 86.6 362.3 Derived 1978BEN

OaS(CH3)2
Diethyl sulfoxide 88.7 371.1 Derived 1978BEN

OaS(C2H5)2
(continued)
Table 6.5 (continued) O–S BDEs
BDEs (boldfaceZ
recommended data;
Diphenyl sulfoxide 89.3 373.6 Derived 1978BEN

OaS(C6H5)2
(Methoxysulfinyl)methoxy 116G6 485.3G25 Derived 1978BEN

OaS(OMe)2
Dimethylsulfone (1) 112 468.6 (1) Derived (1) 1978BEN

OaS(O)(CH3)2 (2) 109.9G0.7 459.7G2.8 (2) Derived from (2) 2005ACR/PIL
DfH0 in ref.
Diethylsulfone 112 468.6 Derived 1978BEN

OaS(O)(C2H5)2
Thian-1-one
O S 86 360.0 Calorimetry 2003ROU/TEM
Thiane-1,1-dione
O 112.3G3 470G12 Calorimetry 1988HER
S 112.3 470 2003ROU/TEM
O
Diphenylsulfone 113 472.8 Derived 1978BEN

OaS(O)(C6H5)2
Phenylsulfone 109 456.1 Derived 1978BEN

OaS(O)(C6H5)
Sulphuric acid 110G3 460.2G12.6 Derived 1978BEN

OaS(O)(OH)2
Dimethoxy sulfate 108 451.9 Derived 1978BEN

OaS(O)(OMe)2
Diethoxy sulfate 109 456.1 Derived 1978BEN

OaS(O)(OEt)2
Phenyl phenylsulfonyl sulfate 122 510.4 Derived 1978BEN

OaS(O)(Ph)(PhSO2)
Phenyl phenylthiooxy sulfate 122G3 510.4G12.6 Derived 1978BEN

OaS(O)(Ph)(PhSO)
Phenyl thiophenyl sulfate 115G4 481.2G16.7 Derived 1978BEN

OaS(O)(Ph)(PhS)
Hydroxythiol 70.1G4 293.3G16.7 Derived from 1993OHA/DEP

HO–SH DfH0 in ref.
Methylthio peroxy w11 w46 Pulse laser 1992TUR/BAR

OO–SCH3 photolysis
Oxyhydrosulfide radicals 70G4 292.9G16.7 Derived 1978BEN

HO–S
Oxyhydrodisulfide 13.2G2 55.2G8.4 Derived from 2003NASA/JPL

HO–S2 DfH0 in ref.
Sulfenic acid 74.9G3 313.4G12.6 Derived from 1978BEN

HO–SOH DfH0 in ref.
Sulfuric acid 92.0G2 384.9G8.4 Derived from 1998CHA

HO–S(OH)O2 DfH0 in ref.
Adduct of OH and SCS 35.3G1.5 147.7G6.3 Derived from 1990MUR/LOV

HO–SCS DfH0 in ref.
Methanesulfenic acid 72.6G3 303.8G12.6 Derived from 1996HUN/SHE

HO–SCH3 DfH0 in ref.
(continued)
Table 6.5 (continued) O–S BDEs
BDEs (boldfaceZ
recommended data;
Adduct w14 w59 Est. by exp. 1992STI/NIC

HO–S(CH3)2
Adduct (1) 10.1G1.1 42.3G4.6 LP/LIF (1) 1995HYN/STO

HO–S(CD3)2 (2) 10.7G2.5 44.8G10.5 (2) 1996BAR/TUR
Methanesulfonic acid 86.1G3 360.2G12.6 Derived from 2000GUT/GAL

HO–SO2CH3 DfH0 in ref.
Hydrooxy methylsulfonate 116.8 488.7 Derived from 1978BEN

HOO–SO2CH3 DfH0 in ref.
Methoxy methylsulfonate 111.6 466.9 Derived from 1978BEN

CH3OO–SO2CH3 DfH0 in ref.
Methylthiyl peroxy w11 w46 Pulsed laser 1992TUR/BAR

CH3S–OO photolysis
N,N-difluorohydroxylamine
O-Fluorosulfate w65 w272 MS 1965PAU/LUS
FS(O2)–ONF2
Methyoxy-1-thiol 56G8 234G34 Est. by exp. 2000AMA/WIE

HS–OCH3
Methoxymethylthio 53G10 222G42 Est. by exp. 2000AMA/WIE

CH3S–OCH3
6.6 O–halogen bonds

Table 6.6 O–Halogen BDEs
BDEs (boldfaceZ
recommended data;
Hypofluorous acid 51.4 215.1 Derived from 1998CHA

F–OH DfH0 in ref.
Difluorine monoxide
F–OF 39.2 164.1 Derived from 2003NASA/JPL
DfH0 in ref.
–O 52.6 220.0
Trifluoromethyl hypofluorite (1) 43.5G0.5 182.0G2.1 (1) Pyrolysis (1) 1968CZA/CAS

F–OCF3 (2) 40.2G2.5 168.2G10.5 (2) Derived from (2) 1994SCH/WAL
DfH0 in ref.
(3) 48G1 200.8G4.2 (3) Re-evalated (3) 2000REI/PRA
Methyl hypofluorite (1) %47.4G1.2, %198G5 (1) PIMS (1) 1991RUS/APP

0K
F–OCH3 (2) O47.0 O196.6 (2) Derived from (2) 1996NIST
DfH0 in ref.
Fluoro peroxy (1) 18.4 77.2 (1) MS (1) 1966MAL/MCG

F–OO (2) 11.68G0.5, 48.9G2.1 (2) Spectrokinetic (2) 1987PAG/RAT
0K
(3) 12.9G0.5 54.0G2.1 (3) Derived from (3) 2003NASA/JPL
DfH0 in ref.
Fluorine dioxide K5G6 K21G25 Derived from 2003NASA/JPL

O–FO DfH0 in ref.
Fluoronitrooxy 34.2 143.1 Derived from 1998CHA

F–ONO2 DfH0 in ref.
Hypochlorous acid 55.8 233.5 Derived from 2003NASA/JPL

Cl–OH DfH0 in ref.
(continued)
Table 6.6 (continued) O–Halogen BDEs
BDEs (boldfaceZ
recommended data;
Dichlorine monoxide
Cl–OCl (1) 33.9 142 (1) Derived from (1) 2003NASA/JPL
DfH0 in ref.
–O (2) 64.20G0.03 268.61G0.13 (2) Spectroscopy (2) 1958DUR/RAM
(3) 64.3 268.9 (3) Review (3) 1991ABR/AZI
(4) 63.93G0.02 267.47G0.08 (4) Spectroscopy (4) 1993MCL/PAR
(5) 74.9G2.3 313.6G9.6 (5) Spectroscopy (5) 2001RAJ/FER
Trifluoromethyl hypochlorite %52.8G2 %220.9G8.4 PIMS 1997ASH/RUS

Cl–OCF3
Methyl hypochlorite 48.0 200.8 Derived from 1994NIST

Cl–OCH3 DfH0 in ref.
tert-Butyl hypochloride 47.4 198.3 Derived 1968WAL/PAP

Cl–O-tert-C4H9
Chlorine dioxide (1) 59G3 246.9G12.6 (1) Pyrolysis (1) 1968CZA/CAS

O–ClO (2) 59.1G0.1 247.3G0.5 (2) PD (2) 2001DEL/PAR
(3) 61.3G0.3 256.3G1.3 (3) Derived from (3) 2003NASA/JPL
DfH0 in ref.
Chloro peroxy (1) 5.94G0.49 24.87G2.05 (1) Photolysis (1) 1991NIC/KRE

Cl–OO (2) 6.01G0.01 25.16G0.05 (2) Photolysis (2) 1991BAE/HIP
(3) 5.8G0.4 24.2G1.7 (3) UV abs. (3) 1992MAU/BUR
(4) 5.6G1 23.4G4.2 (4) Derived from (4) 2003NASA/JPL
DfH0 in ref.
(5) 5.87G0.10 24.40G0.42 (5) Spectroscopy (5) 2004SUM/SUM
Dichlorine dioxide 21.8 91.2 Derived from 1994NIC/FRI

Cl–OOCl DfH0 in ref.
Dichlorine trioxide 59.2 247.7 Derived from 1994NIC/FRI

O–ClOOCl DfH0 in ref.
Chloro trioxide 17.1 71.5 Derived from 1994NIC/FRI

Cl–O3 DfH0 in ref.
Chloro trioxide 47.0G2.3 196.7G9.5 Derived from 2005ACR/PIL

O2Cl–O DfH0 in ref.
Chloronitrooxy 41.1 172.0 Derived from 1990AND/FAH

Cl–ONO2 DfH0 in ref.
Hypobromous acid (1) 48.5G0.4 202.7G1.8 (1) PI (1) 1994RUS/BER(d)

Br–OH (2) 51G1 213.4G4.2 (2) Review (2) 1999JUR
(3) 50.1G1 209.6G4.2 (3) Derived from (3) 2003NASA/JPL
DfH0 in ref.
Dibromine oxide
Br–OBr (1) 29.9 125 (1) Derived from (1) 2003NASA/JPL
DfH0 in ref.
–O (2) 56.1G0.6 234.7G2.5 (2) Spectroscopy (2) 1958DUR/RAM
(3) 55.9G1.5 233.9G6.3 (3) Review (3) 1996ORL/TYN
(4) 55.8G1.0 233.5G4.2 (4) PD (4) 2002ZOU/KIM
(5) 56.3G0.5 235.4G1.9 (5) Spectroscopy (5) 2004FLE/HAR
(6) 56.9G0.1 238.1G0.4 (6) PD (6) 2006KIM/DOO
tert-Butyl hypobromide 43.8 183.3 Derived 1968WAL/PAP

Br–O-tert-C4H9
Bromine dioxide 49.0G2 204.8G8.4 Derived from 2003NASA/JPL

O–BrO DfH0 in ref.
Bromo peroxy 0.7G10 3.1G42 Derived from 2003NASA/JPL

Br–OO DfH0 in ref.
Bromo trioxide 7.8 32.8 Derived from 1994NIC/FRI

Br–O3 DfH0 in ref.
Bromonitrooxy 34.2G1.5 143.1G6.3 Kinetics 1996ORL/TYN

Br–ONO2
(continued)
Table 6.6 (continued) O–Halogen BDEs
BDEs (boldfaceZ
recommended data;
Hypoiodous acid 51.0 213.4 Derived from 2001IUPC

I–OH DfH0 in ref.
Diiodo oxide
I–OI (1) 31.1 130.1 (1) Derived from (1) 2003NASA/JPL
DfH0 in ref.
–O (1) 57.4 240.0
(2) 43G5 180G21 (2) Spectroscopy (2) 1958DUR/RAM
(3) 58G2 242.7G8.4 (3) Review (3) 1996ORL/TYN
Iodo peroxy 2.5G4 10.5G17 Derived from 2003NASA/JPL

I–OO DfH0 in ref.
Iodo rioxide 1.6 6.7 Derived from 1994NIC/FRI

I–O3 DfH0 in ref.
Iodomonitrooxy O33.6 O140.6 Review 1996ORL/TYN

I–ONO2
2-Iodosobenzoic acid
C(O)OH
63.2G1.9 264.5G8.1 Calorimetry 1999SIL/MAT
I O
chapter seven
BDEs of N–X bonds
7.1 N–H bonds

7.1.1 N–H bonds in non-anilines
Table 7.1.1 N–H BDEs in Non-Anilines
BDEs (boldfaceZ
recommended data;
Ammonia (1) 108.2G0.3 452.7G1.3 (1) Recommended (1) 1994BER/ELL

H–NH2 (2) 107.57G0.06 450.08G0.24 (2) Photolysis (2) 1996MOR/ASH
DfH0(R)Z44.5G0.2 (3) 108.5G0.3 454.0G1.3 (3) GPA (3) 2003REE/HAR
(186.2G1.0) (4) 107.6G0.1 450.2G0.4 (4) Review (4) 2003BLA/ELL
H–NH (5) 97.6 408.4 (5) Derived from (5) 1996NIST
DfH0(R)Z85.3G0.2 (357G1) DfH0 in ref.
H–N (6) 79.3G3.7 331.8G15.4 (6) Spectroscopy (6) 1968GAY
(7) %81.0 %338.9 (7) Spectroscopy (7) 1979HUB/HER
Deuterated ammonias
H–NHD (1) 107.95G0.14 451.66G0.60 (1) Photolysis (1) 1996MOR/DIX
H–ND2 (1) 108.12G0.09 452.38G0.36
D–NHD (1) 109.78G0.17 459.32G0.72
D–ND2 (1) 110.15G0.06 460.87G0.024
D–N (2) 81.6 341.6 (2) Spectroscopy (2) 1979HUB/HER
Difluoroamonia
H–NF2 75.7G2.5 316.7G10.5 Calorimetry 1969PAN/ZER
DfH0(R)Z10.1G2 (42.3G8)
(Z)-diazene (1) 75G5 314G21 (1) Pyrolysis (1) 1970LIK/SHI

H–NNH (2) 60.8 254.4 (2) Derived from (2) 1996NIST
DfH0(R)Z59.6 (249.5) DfH0 in ref.
(continued)
369
Table 7.1.1 (continued) N–H BDEs in Non-Anilines
BDEs (boldfaceZ
recommended data;
Hydrazoic acid (1) 92G5 384.9G20.9 (1) ICR (1) 1981PEL/JAC

H–N3 (2) %93 %389 (2) CL (2) 1987HAB/WAT
DfH0(R)Z99.0G5 (414.2G20.9) (3) 92.7G3.1 387.9G13.0 (3) Correlation (3) 1993JEN
(4) %88.7G0.5 % 371.1G2.1 (4) UV Photolysis (4) 1999ZHA/XU
(5) 93.7 392.0 (5) AOP (5) 2002ALN/ZHA
Methanimine (1) 85G5, at 0 K 356G21 (1) PES (1) 1991COW/TRA

H–NaCH2 (2) 87G6 364G25 (2) Derived (2) 1994SUN/PAN
Nitrosyl hydride (1) 49 205 (1) Kinetics (1) 1962HOL

H–NO (2) 48.1G0.1 201.2G0.4 (2) Spectrometry (2) 1996DIX
DfH0(R)Z21.58 (90.29) (3) 47.7 199.5 (3) Derived from (3) 1999AND
DfH0 in ref.
D–NO (4) 49.9 208.7 (4) Spectrometry (4) 1984DIX/ROS
Isocyanic acid (1) %111.5G1 %466.5G4 (1) PES (1) 1993BRA/KIM

H–NCO (1) 110.5G3.8 462.3G15.9 (2) PIMS (2) 1994RUS/BER(c)
DfH0(R)Z28.9 (120.9) (3) 110.1G0.5 460.7G2.1 (3) Photodissociation (3) 1995ZHA/DUL
(4) %109.6G0.4 %458.6 G1.7 (3) Photolysis (4) 1996BRO/BER
(5) 110.3 461.3 (5) Derived (5) 2004JAN/ROS
Iso-thiocyanic acid (1) 98G1 410G4 (1) Photodissociation (1) 1973LEN/MEL

H–NCS (2) 96G6 402G25 (2) PES (2) 1993BRA/KIM
(3) %94.8G1.1 %396.6G4.6 (3) PIMS (3) 1994RUS/BER(b)
Cyanoamino radical 83G2 347.3G8.4 PES 1997CLI/WEN

H–NCN
Methylamine (1) 103G2.5 431.0G10.5 (1) VLPP (1) 1972GOL/SOL

CH3NH2 (2) 101.2G3 423.4G12.6 (2) AE (2) 1973SHA/FRA
DfH0(R)Z44.0G2 (184.1G8.4) (3) R101.5 R425 (3) IR CL (3) 1987WAT/SET
(4) 101.6G2 425.1G8.4 (4) Review (4) 1988COL
(5) 100.0G2.5 418.4G10.5 (5) Derived (5) 1994SUN/PAN
CH3ND2 (3) w103 w431
Tert-butylamine (1) 100 418.4 (1) AOP (1) 1998BOR/LIU

tert-BuNH2 (2) 93.3G2 390.4G8.4 (2) PAC (2) 2002LAL/ALL
DfH0(R)Z22.8G3 (95.4G12.6) (2) 95G2 397.5G8.4
BDEs of N–X Bonds 371
Benzylamine 100 418.4 AOP 1998BOR/LIU

C6H5CH2NH2
DfH0(R)Z68.9G3 (288.3G12.6)
1-Naphthanlenamine 89.6 374.7 Correlation 2000DEN/DEN

RNH2
2-Naphthanlenamine 90.7 379.5 Correlation 2000DEN/DEN

RNH2
Dimethylamine (1) 95G2.5 397.5G10.5 (1) VLPP (1) 1972GOL/SOL

(CH3)2NH (2) 94.6G2 395.8G8.4 (2) Review (2) 1988COL
DfH0(R)Z37.8G2 (158.2G8.2) (3) 91.5G2.0 382.8G10.5 (3) Derived (3) 1994SUN/PAN
Propylamine phosphonium 92.7 387.9 AOP 1995CHE/LIU

bromide
(n-PrNH-PCPh3) BrK
Methylnitroamine 84.3 352.8 Derived 2003MIR/KON

CH3NHNO2

CH2(NHNO2)2

(CH2)2(NHNO2)2
Nitro[5-(nitroamino) 83.2 348.2 Derived 2003MIR/KON

pentyl]-amine
(CH2)6(NHNO2)2
Hydrazine (1) %85 %356 (1) IR CL (1) 1973DUE/SET

H–NHNH2 (2) 87.5 366.1 (2) Pyrolysis (2) 1988GRE/COL
DfH0(R)Z58.2 (243.5) (3) 80.8G0.3, 0 K 338.1G1.3 (3) PIMS (3) 1991RUS/BER
Hydrazine radical (1) 43.8G1.1, 0 K 183.3G4.6 (1) PIMS (1) 1991RUS/BER

H–N2H2 (2) 44.8 187.4 (2) Derived from (2) 1996NIST
DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
Methylhydrazine (1) 88 368 (1) Pyrolysis (1) 1964EBE

H–NHNH(CH3) (2) 66G5 276G21 (2) MS (2) 1970FON/HUD
Methylhydrazine radical 53G6 222G25 MS 1970FON/HUD

HNN(CH3)–H
1,1-Dimethylhydrazine (1) 88 368 (1) Pyrolysis (1) 1964EBE

(CH3)2NNH2 (2) 85G5 356G21 (2) MS (2) 1970FON/HUD

H2NCH2CH2NH2
Amonomethanenitrile (1) 99G3 414.2G12.6 (1) AOP (1) 1990BOR/HAR(b)

NH2CN (2) 96.6G2.6 404.2G10.9 (2) Derived from (2) 2001BIS/HOO
DfH0(R)Z76.3G0.7 (319.4G2.9) DfH0 in ref.
Urea 111 464.4 AOP 1991BOR/JI(b)

(NH2)2CaO
DfH0(R)Z0.2G3 (0.8G12.6)
Thiourea 93 389.1 AOP 1991BOR/JI(b)

(NH2)2CaS
DfH0(R)Z46.4G3 (194.1G12.6)
1-Aminoethane-1-thione 91 380.7 AOP 1991BOR/JI(b)

CH3C(S)NH2
Aminophenylmethane-1-thione 91 380.7 AOP 1991BOR/JI(b)

PhC(S)NH2
Bis(phenylamino)methane- 87 364.0 AOP 1991BOR/JI(b)

1-thione
(PhNH)2CaS
Aminomethanamidine 104 435.1 AOP 1991BOR/JI(b)

(NH2)2CaNH
DfH0(R)Z59.9G3 (250.6G12.6)
Diphenylmethanimine 117 489.5 AOP 1991BOR/JI(b)

Ph2CaNH
Benzylphenylthioamine 86.9 363.6 AOP 1998BOR/LIU

C6H5CH2NHSPh
Hydroxylamine 81–82 339–341 Electrochemical 2006LIN/MER

HONH2
Formamide 108.5 454.0 AOP 1995BOR/ZHA

HC(O)NH2
DfH0(R)Z11.9G3 (49.8G12.6)
Acetamide 107.5 449.8 AOP 1991BOR/JI(b)

CH3C(O)NH2
DfH0(R)ZK1.6G3 (K6.7G12.6)
2-Ethyl-pentanamide 109 456.1 AOP 1995BOR/ZHA

Et3CC(O)NH2
Tert-butanamide 109 456.1 AOP 1995BOR/ZHA

tert-BuC(O)NH2
Benzamide 107 447.7 AOP 1991BOR/JI

PhC(O)NH2
Methyl aminooate 105 439.3 AOP 1997ZHA/BOR

CH3OC(O)NH2
Ethyl aminooate 105.3 440.6 AOP 1994ZHA/BOR(e)

C2H5OC(O)NH2
(continued)
BDEs (boldfaceZ
recommended data;
N-methylacetamide (1) 103.9 434.7 AOP (1) 1990BOR/ZHA

CH3C(O)NHMe (2) 106.5 445.6 (2) 1995BOR/ZHA
N-(tert-butyl)-2,2-dimethyl 110.5 462.3 AOP 1995BOR/ZHA

propanamine
tert-BuC(O)NHtBu
Acetohydrazide 82 343.1 AOP 1997ZHA/BOR

MeC(O)NHNH2
Benzenecarbohydrazide 80.3 336.0 AOP 1997ZHA/BOR

PhC(O)NHNH2
Diacetamide 107.5 449.8 AOP 1992BAU/DAV

(CH3C(O))2NH
Diuret 108.5 454.0 AOP 1992BAU/DAV

(NH2C(O))2NH
Diacelhydrazine 91.5 382.8 AOP 1992BAU/DAV

(NHC(O)CH3)2
Dibenzoylhydrazine 89.5 374.5 AOP 1992BAU/DAV

(NHC(O)Ph)2
N-((1E)-buta-1,3-dienyl)- 97 405.8 AOP 1991BOR/JI(b)

benzamide
PhC(O)NHPh
Benzenesulfonamide 105 439.3 AOP 1997ZHA/BOR

PhSO2NH2
Hydrazinophenyl sulfone 81 338.9 AOP 1997ZHA/BOR

PhSO2NHNH2
Ethanamidine 102 426.8 AOP 1991BOR/JI(b)

CH3C(aNH)NH2
Benzenecarboxamidine 102 426.8 AOP 1991BOR/JI(b)

PhC(aNH)NH2
Diethyl(iminophenylmethyl)- 119 497.9 AOP 1991BOR/JI(b)

amine
PhC(aNH)NEt2
((1Z)-2-aza-1,2-diphenyl-vinyl) 92 384.9 AOP 1991BOR/JI(b)

phenylamine
PhC(aNPh)NHPh
(((1Z)-2-aza-1,2-diphenyl- 85 355.6 AOP 1991BOR/JI(b)

vinyl)amino)dimethylamine
PhC(aNPh)NHNMe2
(Imino(phenylamino)methyl)- 92 384.9 AOP 1991BOR/JI(b)

phenylamine
(PhNH)2CaNH
((((1E)-2-aza-1,2-diphenyl-vinyl) 84.7 354.4 AOP 1992BOR/JI

amino)amino)-dimethylamine
PhC(NHNMe2)aNPh
(Tert-buytl)phenylthioamine 87.1 364.4 AOP 1998BOR/LIU

tBuNHSPh
Phenyl-N-(phenylcarbonyl- 89.3 373.6 AOP 1997ZHA/BOR

amino)carboxamide
PhC(O)NHNHC(O)Ph
Uracil
H H
5 6
1
O 4 N H
2
N
3
O
H
N–H bonds at site 1 101.5 424.5 Electron attach. 2004DEN/PTA
3 124.5 521.0
(continued)
BDEs (boldfaceZ
recommended data;
N-[(1E)-1-aza-2-phenylprop-1-
enyl]aminoamide, substituted
H
Y
C NN C(O)NH2
Me
YZH 91.7 383.5 AOP 1994ZHA/HUA
p-Cl 92.4 386.4
p-Br 92.3 386.0
p-Me 91.4 382.3
p-MeO 91.0 380.6
p-CF3 92.7 387.7
p-CN 92.7 387.7
p-NO2 92.4 386.4
Diphenyl(phenylamino)amine,
substituted
H
N NPh2
Y
YZH 81.1 339.3 AOP 1997ZHA/BOR
2,4-(NO2)2 83.1 347.7
2,4,6-(NO2)3 80 334.7
Phenylphenylthioamine,
substituted
SPh
Y N H
YZH 82.6 345.6 AOP 1998BOR/LIU

Br 83.0 347.3
MeO 81.6 341.4
CN 84.2 352.3
Phenyl(phenylsulfonyl)-amine,
substituted
SO2Ph
Y N H
YZH (1) 93.2 389.9 AOP (1) 1998BOR/LIU

(2) 92.6 387.4 (2) 1998CHE/XIA
Cl (2) 93.8 392.5

Br (1) 94.4 395.0
Me (2) 91.7 383.7
MeO (1) 89.1 372.8
(2) 89.0 372.4
CN (1) 96.6 404.2
MeCO (2) 95.2 398.3
NO2 (2) 97.1 406.3
Di-2-naphthamine 86.1 360.2 Correlation 2000DEN/DEN

(2-C10H7)2NH
Hydrazines, substituted
N NH2
Y
YZH 72.6 303.8 AOP 1997ZHA/BOR
p-Cl 73.0 305.4
p-Me 71.9 300.8
p-Et 76.3 319.2
p-CF3 77.9 325.9
p-CN 77.8 325.5
N-alkoxyanilines
NO2
H
R1 N OR
R2
R R1 R2
Me H NO2 75.4 315.3 AOP 1996STA/ZAR
Me NO2 H 76.1 318.2
Me NO2 NO2 77.6 324.8
i-Pr NO2 NO2 78.0 326.2
Bis(1,1-dimethyl-1-silaethyl)- 110.9 464.0 Derived 1998BEC/WAL

amine
H–N(SiMe3)2
N–H bond in 86.8G1.2 363G5 Electrochemical 2005MAI/BRE

(R,R)-[Rh(trop2dach)]C
(continued)
BDEs (boldfaceZ
recommended data;
H–NHC%H2 31.8G3 133.1G12.6 Derived from 1996NIST

H–N(CH3)C H2%
32.6G3 136.4G12.6 DfH0 in ref
H–NHC%HCH3 31.4G3 131.4G12.6
7.1.2 N–H bonds in anilines

Table 7.1.2 N–H BDEs in Anilines
BDEs (boldfaceZ
recommended data;
Aniline or benzenamine (1) 88.0G2 368.2G8.4 (1) VLPP (1) 1978COL/BEN

PhNH–H (2) 92.3 386.2 (2) AOP (2) 1993BOR/ZHA
DfH0(R)Z58.4G1 (244.3G4.2) (3) 89.1 373 (3) Electrochemical (3) 1994JON/LIN
(4) 92.2 in sol. 385.8 (4) PAC (4) 1997MAC/WAY
(4) 89.7 in gas 375.3
(5) 92.2 385.8 (5) AOP (5) 1997CHE/WAN
Anilines, mono-substituted
NH H
Y
YZ4-F (3) 88.8 in gas 371.5 (1) Electrochemical (1) 1994JON/LIN

(3) 91.3 in sol. 382.0
(8) 92.9G2.1 388.7G8.8 (2) Electrochemical (2) 1995JON/LIN
2-Cl (4) 93.1 389.5 (3) PAC (3) 1997MAC/WAY
3-Cl (4) 92.6 387.4 (4) AOP (4) 1993BOR/ZHA
4-Cl (4) 92.4 386.6 (5) AOP (5) 1997ZHU/ZHA
(7) 92.3 386.2
3-Br (4) 93.2 389.9
(7) AOP (7) 1997CHE/WAN
4-Br (4) 92.3 386.2
(7) 92.2 385.8 (8) GPA (8) 2003REE/HAR
4-I (1) 89.1 373 (9) Correlation (9) 2005DEN/TUM
2-CN (4) 95.1 397.9
3-CN (4) 94.1 393.7
4-CN (1) 91.8 384
(4) 95.2 398.3
(7) 95.1 397.9

(9) 92.3 386.3
2-CF3 (2) 92.5 387
(9) 93.0 389.3
3-CF3 (2) 93.2 390
(4) 95.7 400.4
(5) 96.6 404.2
(9) 93.8 392.3
4-CF3 (1) 92.0 385
(4) 96.5 403.8
(7) 96.4 403.4
(9) 92.6 387.3
2-CH3 (2) 90.6 379
(9) 86.4 361.3
4-CH3 (1) 88.7 371
(3) 87.5 in gas 366.1
(3) 90.0 in sol. 376.6
(4) 92.0 384.9
(7) 91.9 384.6
4-NH2 (1) 86.0 360
(9) 86.6 362.3
4-NO2 (4) 96.7 404.6
4-tert-Bu (1) 88.9 372
(6) 92.2 385.6
(9) 89.5 374.3
4-CH3CO (1) 90.6 379
(4) 94.2 394.1
(6) 93.8 392.6
(9) 91.1 381.3
2-CH3O (2) 88.7 371.0
(4) 90.4 378.2
(9) 89.2 373.3
3-CH3O (4) 93.9 392.9
4-CH3O (1) 87.2 365
(7) 90.3 377.9
(9) 87.8 367.3
3-CF3SO2 (4) 95.7 400.4
Anilines, di-and trisubstituted

2,4-Me2 (2) 88.0 368 (2) Electrochemical (2) 1995JON/LIN
(9) 88.5 370.3
(4) AOP (4) 1993BOR/ZHA
3,4-Me2 (2) 88.7 371
3,5-Me2 (2) 90.3 378
(9) 90.9 380.3
2,4-(MeO)2 (2) 87.7 367
(9) 88.3 369.3
3,4-(MeO)2 (2) 88.4 370
(continued)
Table 7.1.2 (continued) N–H BDEs in Anilines
BDEs (boldfaceZ
recommended data;
(9) 89.0 372.3

3,5-(MeO)2 (2) 91.5 383
(9) 92.1 385.3
3,5(CF3)2 (4) 97.2 406.7
2-NO2K4-Cl (4) 97.6 408.4
3-NO2-4-Cl (4) 97.6 408.4
2,4,6-Cl3 (4) 95.5 399.6
Phenylhydroxylamine
N
OH
Y
H
YZH 69.8 292 AOP 1998CHE/LU
p-Me 67.9 284
p-Br 72.4 303
N-methyl-phenylamine (1) 89.3 373.6 (1) AOP (1) 1993BOR/ZHA

PhNHMe (2) 87.5G2 366.1G8.4 (2) VLPP (2) 1978COL/BEN
DfH0(R)Z57.6G1.5 (241.0G6.3) (3) 91.9 384.5 (3) Correlation (3) 2000DEN/DEN
Phenyl-1-naphthlamine 85.3 357.1 Correlation 2000DEN/DEN

1-C10H7NHC6H5
Phenyl-2-naphthlamine 86.7 362.9 Correlation 2000DEN/DEN

2-C10H7NHC6H5
4-Methoxy-N-phenyl- 85.1 355.9 Correlation 2000DEN/DEN

benzenamine
4-CH3OC6H4NHPh
N-(4-phenoxy)phenyl- 83.5 349.5 Correlation 2000DEN/DEN

2-naphthalenamine
2-C10H7NHC6H4(4 0 -C6H5O)
Alkyloxy(2-nitrophenyl)amine
H
R6
N OR
NO 2
R4
R R4 R6
Me H NO2 75.4 315.5 AOP 1996STA/ZAR
Me NO2 H 76.1 318.4
Me NO2 NO2 77.6 324.7
iPr NO2 NO2 78.0 326.4
N-phenylacetamide, substituted
COCH3
Y N H
YZH (1) 98.9 413.8 AOP (1) 1993BOR/ZHA(b)

(3) 99.5 416.3
(2) 1993CHE/ZHA
p-Cl (2) 98.7 413.0
(3) 1991BOR/JI
p-Br (2) 99.1 414.6
p-Me (2) 97.1 406.3
p-MeO (2) 95.3 398.7
p-MeCO (2) 100.0 418.4
p-CF3 (2) 101.6 425.1
p-CN (2) 101.1 423.0
(2) 101.5 424.7
p-NO2 (2) 102.0 426.8
N-phenylacetamide, substituted
CONMe2
Y N H
YZH 92.7 387.9 AOP 1998CHE/XIA

p-Cl 93.4 390.8
p-Br 93.5 391.2
p-I 93.4 390.8
p-Me 91.8 384.1
p-MeO 90.4 378.2
p-MeCO 94.9 397.1
p-NO2 96.4 403.3
(continued)
BDEs (boldfaceZ
recommended data;
Diethyl(phenylamino)-
phosphino-1-one, substituted
PhNHPO(OEt)2
PO(OEt)2
N
Y
H
YZH (1) 94.7 396.2 AOP (1) 1991BOR/ZHA

(2) 94.9 397 (2) 1998CHE/LU
p-Cl (3) 95.7 400.4 (3) 1998CHE/XIA
p-Br (3) 95.7 400.4
p-Me (2) 93.5 391
p-MeCO (2) 97.3 407
p-CN (2) 98.9 414
p-NO2 (2) 100.6 421
4-Hydroxydiphenylamine
H
84.5 353.4 Correlation 2004VAR
p-HO N
4-Phenylaminyl phenoxyl
radical
H
65.4 273.6 Correlation 2004VAR
p-O N
N,N 0 -diphenyl-1,4-phenylene- 83.3G0.3 348.7G1.4 Correlation 2004VAR/KRI

diamine
Ph-NH-C6H4-NH-Ph
N,N 0 -diphenyl-1,4-phenylene- 65.7G0.8 274.7G3.3 Correlation 2004VAR/KRI

diamine radical
Ph-NH-C6H4-N%-Ph
Phenyl(phenylsulfonyl)amine 93.2 389.9 AOP 1998BOR/LIU

PhNHSO2Ph
Phenyl-N-benzamide 97.3 407.1 AOP 1993CHE/ZHA

PhNHC(O)Ph
(Dimethylamino)-N-benzamide 92.7 387.9 AOP 1998CHE/XIA

PhNHC(O)NMe2
2,2,2-Trifluoro-N-phenyl- 99.6 416.7 AOP 1993ZHA/BOR(b)

acetamide
PhNHC(O)CF3
Phenylphenylthioamine 82.6 345.6 AOP 1998BOR/LIU

PhNHSPh
Phenyl(phenylamino) 90.2 377.4 AOP 1998BOR/LIU

methane-1-thione
PhNHSOPh
Phenylhydrazine
NH2
N
Y
H
XZH (1) 72.9 305.1 AOP (1) 1997CHE/WAN
p-Cl (1) 73.2 306.4 (2) 1998CHE/LU
p-Me (1) 72.2 302.2
p-CF3 (1) 78.3 327.3
p-CN (1) 78.1 326.9
(2) 77.9 326
p-EtC(O)O (1) 76.6 320.6
Aminotriphenylphosphonium
bromides
X-NHCPPh3BrK
XZnPr (1) 92.8 388.3 AOP (1) 1995CHE/LIU
(2) 92.7 388 (2) 1998CHE/LU
nBu (1) 91.8 384.1
CH2Ph (1) 89.3 373.7
Aniline phosphonium bromide,

substituted
P+Ph3 Br-
N
Y
H
YZH (1) 81.9 342.8 AOP (1) 1995CHE/LIU
(continued)
BDEs (boldfaceZ
recommended data;
(2) 68.4 286 (2) 1998CHE/LU

p-Cl (1) 81.9 342.8
p-Me (1) 83.1 347.8
(2) 68.8 288
p-CN (2) 64.8 271
p-CF3 (2) 64.5 270
N-(phenylamino)acetamide 78.6 328.9 AOP 1997ZHA/BOR

PhNHNHC(O)Me
1,2-Diphenylhydrazine (1) 73.1 305.9 (1) FT-ICR (1) 1991ING/FOK

PhNHNHPh (2) 69.3 290.0 (2) AOP (2) 1997ZHA/BOR
Diphenylamine (1) 87.3 365.3 (1) Kinetics (1) 1987VAR/DEN

Ph2N–H (2) 85.8G0.7 359.0 (2) EPR (2) 1999LUC/PED
DfH0(R)Z87.5G1.5 (366.1G6.3) (3) 89.2, in sol. 373.2 (3) PAC (3) 1997MAC/WAY
(3) 87.2, in gas 364.8
(5) 87.5 366.1 (5) AOP (5) 2002ALN/ZHA
Ph
N H
Y
YZm-Cl (1) 88.4 369.9 (1) AOP (1) 1993BOR/ZHA
p-Me (1) 86.9 363.6
m-Me (1) 87.6 366.5
p-OH (4) 84.5 353.4 (4) Correlation (4) 2005DEN/TUM
p-MeO (1) 85.6 358.2
(4) 84.4 353.3
p-tert-Bu (4) 86.0 360.0
(4) 86.4 361.6
p-PhNH (1) 79.2 331.4
(2) 79.9 334.3 (2) AOP (2) 1994ZHA/BOR
p-NO2 (1) 90.4 378.2
(3) 91.0 380.7 (3) AOP (3) 1991BOR/ZHA
(4) 90.5 378.8
p-tert-Bu (4) 86.1 360.3
p-O% (4) 65.4 273.6
H
N
Y Y
YZp-Br (1) 88.1 368.6 (1) AOP (1) 1993BOR/ZHA
p-Me (2) 85.4 357.5
(3) 86.3, in sol. 361.1 (3) PAC (3) 1997MAC/WAY
(3) 86.2, in gas 360.7
(4) 83.3 348.5 (4) EPR (4) 2002PRA/DIL
p-MeO (1) 84.2 352.3
(2) 83.3 348.6
(4) 81.8 342.2
(5) 81.9 342.5
p-tert-Bu (2) 85.8 358.8
(5) 84.9 355.1
p-N(CH3)2 (4) 79.5 332.6
1-Naphthylamine
H
X1 N
X2
X1ZH X2ZH 89.6 374.7 Correlation 2005DEN/TUM
H Ph 84.2 352.5
t-Bu p-t-Bu-C6H4 84.2 352.1
Naphthylphenylamine
H
N 84.3 352.8 Correlation 2005DEN/TUM
2-Naphthylphenylamines,
substituted
H
N
X
XZH 90.7 379.5 Correlation 2005DEN/TUM

Ph 84.6 353.9
C6H4-p-OPh 83.5 349.5
(continued)
BDEs (boldfaceZ
recommended data;
Di(2-naphthyl)amine
H
N 86.2 360.5 Correlation 2005DEN/TUM
NK1-(3,7-bis(1,1-dimethyl-ethyl) 82.4 344.9 Correlation 2000DEN/DEN

napthalenyl)-benzenamine
1-(3,7-tBu2-C10H5)NHPh
N,N 0 -di(4-isopropylphenyl-)-
p-phenylendiamine 79.7 333.6 Correlation 2000DEN/DEN
4-tBu-C6H4NH-4-
C6H4NHC6H4-t-Bu
N,N 0 -di-2-naphthyl-
p-phenylendiamine 82.8 346.6 Correlation 2000DEN/DEN
4-(2-C10H7NH)
C6H4NH-2 0 -C10H7
p-Phenyl-endiamines,
substituted
H H
N N
X1 X2
X1Zn-C8H17 X2Zn-C8H17 84.2 352.2 Correlation 2005DEN/TUM
Ph iso-Pr 81.3 340.2
Ph Ph 82.9 346.9
Naphthyl naphthyl 82.8 346.6
9H-carbazole 88.8 371.6 Correlation 2000DEN/DEN

1,2-C6H4NH-1 0 ,2 0 -C6H4
4-(1,1-Dimethylethyl)- 84.2 352.1 Correlation 2000DEN/DEN

N-(4-(1,1-dimethylethyl)
phenyl)-1-naphthalenamine
1(NHC6H4-4tBu)-4 0 -BuC10H6
7.1.3 N–H bonds in cyclic compounds

Table 7.1.3 N–H BDEs in Cyclic Compounds
BDEs (boldfaceZ
recommended data;
The broken bonds
(boldfaceZdissociated atom) Methods (reference
DfH0(R), kcal/mol (kJ/mol) kcal/mol kJ/mol in parentheses) References
1,2-Diaziridine
N N 88G4 368.2G16.7 GPA 1999BRO/KAS(b)

H H
Pyrrole (1) 99G6 414.2G25.1 (1) Photodetach. (1) 1975RIC/STE

(2) 97 405.8 (2) AOP (2) 1991BOR/JI(b)
4 5
1N H (3) 97G2 405.8G8.4 (3) Derived (3) 1994SUN/PAN
3 2
(4) 92.6G1.1 387.6G4.8 (4) Photofrag. (4) 2003WEI/KUC
DfH0(R)Z70.8G3 (296.2G12.6) (5) 93.9G0.1 393.0G0.5 (5) PES (5) 2004GIA/ICH
2,5-Dimethylpyrrole
CH3
45
H 87.3G0.3, at 0 K 365.2G1.2 Photofrag. 2006CRO/NIX
3 21N
CH3
2-Pyrrolidone
O
107 447.7 AOP 1995BOR/ZHA
3 2
1N H
4 5
1,3-Oxazolidin-2-one
O3 2 105.8 442.7 AOP 1994ZHA/BOR(e)

1
4 5 N H
4-Benzyl-1,3-oxazolidin-2-one
O
O3 2 105.7 442.2 AOP 1994ZHA/BOR(e)

4 51N H
PhCH2
(continued)
Table 7.1.3 (continued) N–H BDEs in Cyclic Compounds
BDEs (boldfaceZ
recommended data;
The broken bonds
1,3-Oxazolin-2-one
O
91.0 380.7 AOP 1994ZHA/BOR(e)

O3 2
4 1N H
5
1-Phenylpyrazolidin-3-one
H
O N Ph 73.9 309.2 AOP 1997ZHA/BOR

3 2 1N
4 5
Succinimide (1) 91.7 383.7 (1) AOP (1) 1992ARN/VEN

H (2) 92.5 387.0 (2) AOP (3) 1992BAU/DAV
(3) 118G3 493.7 (3) Electrochemical (3) 1993LIN/JON
O N O
Hydantoin, substituted
H
O N O
N
X
XZH 92.5 387.0 AOP 1992BAU/DAV
CH3 92.5 387.0
Imidazole
H
N
N H 95.1G0.5 397.9G2.1 GPA 2005GIA/ICH
H
H
Pyrazole
H
H
106.4G0.4 445.2G1.7 GPA 2006GIA/ICH
1N H
2
H N
DfH0(R)Z98.7G0.5 (413.0G2.1)
2,4,5-Triphenylimidazole
Ph
N 89.5 374.5 AOP 1994ZHA/BOR

N H
Ph
Ph
4,4-Dimethylpyrazolidine-3,5-
dione
CH3 CH3
O O
4
5 1 2 3 82.5 345.2 AOP 1992BAU/DAV
N N
H H
Urazole, 4-substituted
X
O N O
4
5 1 2 3
N N
H H
XZ4-CH3 78.5 328.4 AOP 1992BAU/DAV
4-Ph 78.5 328.4
4-(p-MeOC6H4) 78.5 328.4
4-(p-MeC6H4) 78.5 328.4
4-(p-ClC6H4) 78.5 328.4
4-(m-ClC6H4) 79.5 332.7
1,2-Dimethylurazole
H
O N O
94.5 395.4 AOP 1992BAU/DAV
N N
CH3 CH3
2,2,6,6-Tetramethylpiperidine
CH3
CH3
N H 87.6G4 366.5G17 PAC 2002LAL/ALL
CH3
CH3
Aminopyridine
N H
6 12
5 NH
4 3
(continued)
BDEs (boldfaceZ
recommended data;
The broken bonds
H–N at site 2 87 364.0 AOP 1993BOR/SIN

3 94 393.3
4 84 351.5
2-Piperidone, analogues
65
H N1 4
2 3
X
XZO 109.5 458.1 AOP 1995BOR/ZHA
S 91 380.7
2,6-Piperidione
O
6 5 X
H N 1 4
2 3 X
O
XZH (1) 115G3 481.2 Electrochemical (1) 1998LIN/MER
CH3 (2) 104.5 437.2 (2) 1992BAU/DAV
2-Pyridone, analogues
6 5
H N 1 4
2 3
X
XZO 98 410.0 AOP 1993BOR/SIN
S 81 338.9
4-Pyridone, analogues
6 5
H N 1 4 X
2 3
S 82 343.1
1,2,4,5-Tetrahydropyridazine-3,6-
dione
H
N NH 87.7 366.9 AOP 1997ZHA/BOR

O O
1,4-Dihydropyridine, substituted
H X
EtCO2 CO2Et
N CH3
CH3
H
XZH 86.2 360.7 AOP 2000CHE/LU
i-Pr 89.4 374.0
Ph 90.8 379.9
4-MeOC6H4 90.5 378.7
4-MeC6H4 90.6 379.1
4-ClC6H4 91.2 381.6
4-CNC6H4 92.8 388.3
3-Hydrobenzoxazol-2-one
O
3
2 O
1
N 94.8 396.6 AOP 1994ZHA/BOR(e)
Phthalimide
O
N H 89.1 372.8 AOP 1992ARN/VEN
1H-2-hydroindazol-3-one
NH
O N H
77.7 325.1 AOP 1997ZHA/BOR
Indole
H
N (1) 90.8 380 (1) Electrochemical (1) 1994JON/LIN

(2) 94.1 393.7 (2) AOP (2) 2000ZHU/HE
(continued)
BDEs (boldfaceZ
recommended data;
The broken bonds
Adenine
NH2
N N
93.9G4.8 393G20 Mol. beam 2004ZIE/ROT
N N
2-Quinolone, analogues
H
N X

S 83 347.3
2,3-Dihydrophthalazine-1,4-dione
O
NH
86.8 363.2 AOP 1997ZHA/BOR
N H
2,2,4-Trimethyl-1,2,3,4-
tetrahydroquinoline
H
N Me
Me
Carbazole
H
N
9
6 3
X X
XZH (1) 92.7 387.9 (1) AOP (1) 1991BOR/ZHA
DfH0(R)Z91.6G2 (383.3G8.4) (2) 93.6 391.6 (2) AOP (2) 1992ARN/VEN
(3) 93.0 389.1 (3) AOP (3) 2000ZHU/HE

Br (1) 93.6 391.6
3,6-dibromocarbazole (2) 94.3 394.6
(3) 93.8 392.5
Phenothiazine, analogues
H
X
XZO (1) 79.7 333.5 (1) AOP (1) 1993BOR/ZHA
(2) 77.2G0.3 323.0G1.3 (2) EPR (2) 1999LUC/PED
(3) 80.0 334.7 (3) AOP (3) 2000ZHU/HE
S (1) 82.3 344.3
(2) 79.3G0.3 331.8G1.3
Se (2) 80.4G0.4 336.4G1.7
Iminostilbene, or 5H-
dibenzo(b,f)azepine
H (1) 84.6 354.0 (1) AOP (1) 1991BOR/CHE
(2) 85.3 356.9 (2) AOP (2) 1994ZHA/BOR
N (3) 82.4G0.5 344.8G2.1 (3) EPR (3) 1999LUC/PED
(4) 84.8 354.8 (4) AOP (4) 2000ZHU/HE
5H,10H,11H-dibenzo(b,f)azepine
H
N (1) 87.0 (1) 364.0 AOP (1) 1991BOR/ZHA

(2) 87.2 (2) 364.8 (2) 2000ZHU/HE
Phenothioazine, substituted
R7 S R3
N
R9 R1
H
R1ZR9Z Me, R3ZR7ZH 77.7G0.4 325.1G1.7 EPR 1999LUC/PED
R1ZR9ZH, R3ZR7ZOMe 76.2G0.3 318.8G1.3
R1ZR9ZH, R3ZR7ZCMe3 78.1G0.4 326.8G1.7
R1ZR9ZH, R3ZR7ZCl 79.8G0.4 333.9G1.7
R1ZR9ZH, R3ZR7ZNO2 81.0G1.0 338.9G4.2
(continued)
BDEs (boldfaceZ
recommended data;
The broken bonds
2-Spirocyclo-hexyl-4-(spiro-
tetrahydrofuran-2)-1,2,3,4-
tetrahydroquinoline
H
N
2,6-Diaryl-4-phenyl-1,2,3,4-
tetrahydro-sym-tetrazines
H
R1
N N
R2
N N
R1ZH R2ZH 69.6 291 ESR 1989MIS/POL

H MeO 70.0 293
H Me 69.8 292
H Cl 69.1 289
H NO2 68.1 285
MeO H 68.4 286
Me H 68.8 288
Cl H 70.3 294
NO2 H 72.9 305
MeO NO2 67.2 281
NO2 MeO 73.4 307
N–H bond in FeII(H2bim)

H2bimZ2,2 0 -bi-imidazoline
HN 2+
HN N
N N N H 76G2 318.0G8.4 NMR 1999ROT/MAY
Fe(II)
N N NH
N
HN
HN
N–H bond in CoII(H2bim)

H2bimZ2,2 0 -bi-imidazoline
HN 2+
HN N
N N 72G3 301.2G12.6 NMR 2001ROT/YOD
N H
Co(II)
N N NH
N
HN
HN
N–H bond in FII(H2bip)

H2bipZ2,2 0 -bi(tetrahydro)
pyrimidine
HN 2+
HN
N
N N N
H
Fe(II) 71G1 297.1G4.2 NMR 2001ROT/YOD
N
N NH
N
HN
HN
N–H bond in Rh(I) 86.3G0.5 361G2 Electrochemical 2005BUT/GEI

[Rh(trop2NH)(bipy)]C
tropZ5-H-dibenzo[a,d]cyclo-
heptene-5-yl
bipyZ2,2 0 -bipyridyl
7.2 N–N bonds

Table 7.2 N–N BDEs
BDEs (boldfaceZ
recommended data;
Methods
Nitrogen (1) 225.94G0.14 945.33G0.59 (1) Spectroscopy (1) 1979HUB/HER

NbN (2) 225.82G0.02 944.84G0.10 (2) PD (2) 2005TAN/HOU
Nitrogen anion 182.9 765.1 Derived 1979HUB/HER

NK–N (also see Chapter 25)
Nitrogen cation 201.8 844.3 Derived 1979HUB/HER

NC–N (also see Chapter 25)
(continued)
Table 7.2 (continued) N–N BDEs
BDEs (boldfaceZ
recommended data;
Methods
Azide radical (1) K0.7G2.3 K2.9G9.6 (1) Derived from (1) 1993CON/CYR
N–N2 DfH0 in ref.
(2) 6.2G1.8, 0 K 26.1G7.7 (2) CID (2) 1995MAY/FRY
Azide cation 86.2G1.8, 0K 360.8G7.7 CID 1995MAY/FRY

NC–N2 (also see Chapter 25)
Nitrogen dimer cation (1) 22.8 95.4 (1) HP MS (1) 1970PAY/KEB

(2) 24.4 102.1 (2) MS (2) 1973TEN/CON
NC
2 –N2 (also see Chapter 25) (3) 26.2G1.8 109.6G7.5 (3) AE (3) 1989NOR/LUO
(4) 25.1G1.4 105.2G5.8 (4) CID (4) 1991SCH/ARM
(5) 25.8G1.5 107.9G6.3 (5) HP MS (5) 1994HIR/YAM
Hydrogen azide 15 63 Derived from 2002CRC

HN–N2 DfH0 in ref.
Dinitrogen oxide 114.9G0.1 480.7G0.4 Derived from 1996NIST

ON–N DfH0 in ref.
Nitric oxide dimmer 2.03G0.03 8.49G0.12 PD 2003POT/DRI

ON–NO
Dinitrogen trioxide 10.2 42.5 Derived from 1996NIST

ON–NO2 DfH0 in ref.
Dinitrogen tetroxide 13.7G0.2 57.3G1 Derived from 2001IUPAC

O2N–NO2 DfH0 in ref.
Diazene (1) %123.8G1.1, %518G5 (1) PIMS (1) 1991RUS/BER

HNaNH 0K
(2) 119.7 501 (2) Derived from (2) 1998CHA
DfH0 in ref.
Hydrazine (1) 65.5G0.4 274.1G1.7 (1) PIMS (1) 1991RUS/BER

H2N–NH2 (2) 66.2G0.3 277.0G1.3 (2) Derived from (2) 2002CRC
DfH0 in ref.
Dinitrogen difluororide 80.6 337.2 Derived from 1996NIST

(E)-FNaNF DfH0 in ref.
Dinitrogen difluororide 83.6 349.8 Derived from 1996NIST

(Z)-FNaNF DfH0 in ref.
Tetrafluorohydrazine (1) 21.5G1.6 90.0G6.7 (1) AP (1) 1961HER/DIB

F2N–NF2 (2) 21G1 87.9G4.2 (2) Calorimetry (2) 1969PAN/ZER
(3) 21.6G0.5 90.4G1.9 (3) Derived (3) 1985BER/GRE
(4) 22.2G3 92.9G12.6 (4) Derived from (4) 1998CHA
DfH0 in ref.
Methylhydrazine (1) 67 280 (1) Pyrolysis (1) 1964EBE

NH2–NHCH3 (2) 65.9G2 275.8G8.4 (2) Derived from (2) 1986PED/NAY
DfH0 in ref.
1,1-Dimethylhydrazine 62.1G2 259.8G8.4 Derived from 2002CRC

NH2–N(CH3)2 DfH0 in ref.
Phenylhydrazine 54.4G2 227.6G8.4 Derived from 1986PED/NAY

NH2–NHC6H5 DfH0 in ref.
1,2-Dimethylhydrazine 66.0G3 276.1G12.6 Derived from 2002CRC

(CH3)NH–NH(CH3) DfH0 in ref.
Dimethyl(methylamino)amine 60.8 254.4 Derived from 1988LIA/BAR

(CH3)2N–NH(CH3) DfH0 in ref.
Tetramethylhydrazine 59.6 249.4 Derived from 1994NIST

(CH3)2N–N(CH3)2 DfH0 in ref.
[(Dimethylamino)diazenyl] 16.5 69 Kinetics 1961GOW/JON

dimethyl-anine
(CH3)2N–NNN(CH3)2
1,2-Diphenyl hydrazine 38.8G2 162.3G8.4 Derived from 1994NIST

PhNH–NHPh DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
Methods
Nitroamine (1) 58.6 245.2 (1) Derived from (1) 1991GUR/VEY

H2N–NO2 DfH0 in ref.
(2) 55.0 230.0 (2) Derived (2) 2000KOS/MIR
N-nitromethylamine 50 209.2 Derived 2000KOS/MIR

CH3HN–NO2
N-nitrodimethylamine (1) 43.8 183.3 (1) Derived from (1) 1986PED/NAY

(CH3)2N–NO2 DfH0 in ref.
(2) 39.6 165.7 (2) Derived (2) 2000KOS/MIR
(3) 41.5G2.5 173.7G10.5 (3) Derived from (3) 2004KOS/MIR
DfH0 in ref.
1,1-Dinitroethane (1) 27.6 115.6 (1) Pyrolysis (1) 1975MAT/NAS

CH3N(NO2)–NO2 (2) 28.3 118.4 (2) Calorimetry (2) 1987MIR/KOR
1,1-Dinitropropane 29.0 121.5 Pyrolysis 1975MAT/NAS

C2H5N(NO2)–NO2
1,1-Dinitrobutane 31.0 129.7 Pyrolysis 1975MAT/NAS

C3H7N(NO2)–NO2
1,1-Dinitropentane 29.6 123.8 Pyrolysis 1975MAT/NAS

C4H9N(NO2)–NO2
Methyl((methylnitroamino)- 40.0 167.4 Derived 2000KOS/MIR

methyl)nitroamine
CH3N(NO2)CH2N(CH3)–NO2
Nitrozoamines
((NO2)3CCH2)2N–NO2 40.0 167.4 Derived 2001MIR/KOS
(H(NO2)2CCH2)2N–NO2 45.5 190.4
(NO2)3CCH2N((CH2)2C(NO2)3)– 40.0 167.4
NO2
((NO2)3CCH2N(NO2) 40.0 167.4

CH2CH2N-C(NO2)3)–NO2
(H(NO2)2CCH2N(NO2) 40.0 167.4
CH2CH2N-CH(NO2)2)–NO2
((NO2)3CCH2)2N–NO2 39.0 163.2
((NO2)3CCH2N(NO)CH2CH2N- 40.0 167.4
C(NO2)3)–NO
Aminomethylnitrosoamino 42.9 179.6 Derived 1998LEB/CHI

H2NN(CH3)–NO
N-nitroso-acetanilides
O
Y
N CH3
N
O
YZH 38.3 160.2 Electrochemical 1998CHE/WAN
p-Cl 37.6 157.3
p-CH3 36.1 151.0
p-OCH3 43.8 183.3
p-NO2 39.2 164.0
N-methyl-nitrosobenzenesul
forn-amides, substituted
O
NO
S N
Y CH3
O
YZH 34.9 146.0 Electrochemical 2005ZHO/HAO
p-Cl 33.0 138.1
p-Br 33.0 138.1
p-CH3 33.4 139.7
p-OCH3 33.7 141.0
m-NO2 33.9 141.8
2,5-2-Cl2 33.7 141.0
Amino-N-nitroso-N-phenyl-
amide, substituted
O
Y
N NR2
N
O
RZMe YZH 29.1 121.8 AOP 1998CHE/XIA
(continued)
BDEs (boldfaceZ
recommended data;
Methods
2-Cl 23.1 96.7

4-Cl 29.2 122.2
3-Br 30.3 126.8
4-Br 29.4 123.0
4-I 28.9 120.9
2-Me 27.5 115.1
4-Me 28.7 120.1
4-MeO 28.3 118.4
4-MeCO 30.5 127.6
4-NO2 33.1 138.5
RZi-Pr YZ4-Me 26.6 111.3
RZC6H5CH2 YZ4-Me 25.4 106.3
Nitrosophenyl(phenyl-
solfonyl)-amine, substituted
Y O O
S
N Ph
N
O
YZH 13.2 55.2 AOP 1998CHE/XIA
Cl 13.1 54.8
Me 11.4 47.7
MeO 12.4 51.9
MeCO 14.5 60.7
NO2 18.0 75.3
Diethyl(nitrosophenylamino)-
phosphino-1-one, substituted
Y O OE t
P
N OE t
N
O
XZH 35.0 146.4 AOP 1998CHE/XIA
Cl 36.2 151.5
Br 36.2 151.5
Me 34.5 144.3
NO2 40.4 169.0
Nitrosoindole
N 28.7 120.1 AOP 2000ZHU/HE
NO
Nitrosoindole, substituted
N 29.7 124.3 AOP 2000ZHU/HE
NO
9-Nitrosocarbazole
N 27.4 114.6 AOP 2000ZHU/HE
NO
3,6-Dibromo-9-nitrosocarbazole
Br Br
28.3 118.4 AOP 2000ZHU/HE

N
NO
10-Nitrosophenoxazine
O
N 13.6 56.9 AOP 2000ZHU/HE
NO
5-Nitroso-benzo(b,f)azepine
N 19.2 80.3 AOP 2000ZHU/HE
NO
5-Nitroso-10H, 11H-
dibenzo(b,f)azepine
N 22.9 95.8 AOP 2000ZHU/HE
NO
(continued)
BDEs (boldfaceZ
recommended data;
Methods
Nitrosodiphenylamine,
substituted
Y1 Y2
N
NO
Y1ZH Y2ZH 22.6 94.6 AOP 2000ZHU/HE
m-Cl H 24.1 100.8
m-Me H 22.3 93.3
p-Me H 21.4 89.5
p-NO2 H 24.3 101.7
p-MeO H 21.4 89.5
p-MeO p-MeO 21.0 87.9
Hydrogen azide 15.0 62.8 Derived from 1994FRE/KAB

HNaN2 DfH0 in ref.
Methyl azide 41.7 174.4 Pyrolysis 2001ORL

CH3NaN2
Ethyl azide 38.0 159.0 Pyrolysis 2001ORL

C2H5NaN2
Phenyl azide 36.8 153.9 Pyrolysis 1986STE/KRU

C6H5NaN2
Benzyl azide 38.2 159.7 Pyrolysis 1986STE/KRU

C6H5CH2NaN2
cyclo-Hexyl azide 38.2 159.7 Pyrolysis 1986STE/KRU

c-C6H11NaN2
4-Aza-4-diazobut-4-en-2-one 37.8 158.1 Pyrolysis 1986STE/KRU

CH3C(O)CH2NaN2
1-Aza-1-diazopent-1-en-3-one 38.0 159.0 Pyrolysis 1986STE/KRU
C2H5C(O)CH2NaN2
p-NO2-benzyl azide 38.6 161.5 Pyrolysis 1986STE/KRU

4-NO2C6H4CH2NaN2
Azo-N,N-dioxides
R(O)N N(O)R'
R, R 0 ZCH3 16.5G1.9 69.1G7.8 Derived 2005ACR/PIL

tBu 18.7G1.8 78.3G7.5
Azobenzene-N,N-dioxides,
substituted
(O)N N(O)
Y Y'
Y, Y 0 ZH (1) 21.8G2.0 91.2G8.5 (1) Derived (1) 1993ACR/TUC
2-NO2 (2) 18.0G1.3 75.3G5.4 (2) Calorimetry (2) 2005ACR/PIL
2,4-Me2 (2) 17.7G2.9 74.2G12.2
2,4,6-Me3 (2) 17.3G2.9 72.3G12.2
2,4-Et2 (2) 19.3G3.1 80.7G13.1
2,3,5,6-Me4 (3) 14.6G1.2 61.1G5.0 (3) NMR (3) 1970OKA/INA
2,3,4,5,6-Me5 (3) 12.0G1.2 50.2G5.0
4-N(Me)2 (4) 12.2 51 (4) Derived (4) 1994ACR/TUC
7.3 N–C bonds

Table 7.3 N–C BDEs
BDEs (boldfaceZ
recommended data;
Methods
CN radical (1) 175.9G4.3 736.2G18.0 (1) Spectroscopy (1) 2003RED/AHA

CbN (2) 179.3G0.7 750.0G2.9 (2) Derived from (2) This volume
DfH0 in ref.
Hydrogen cyanide 223.4G0.8 934.9G3.3 Derived from 1996NIST

HCbN DfH0 in ref.
(continued)
Table 7.3 (continued) N–C BDEs
BDEs (boldfaceZ
recommended data;
Methods
Halogened cyanide
XCbN
XZF 165.4G3 691.9G112.6 Derived from 1996NIST
DfH0 in ref.
Cl 185.9G4 777.8G16.7
Br 191G15 799G63
I 195G9 816G38
CH2N radicals 144G6 602G25 PES 1991COW/TRA

CH2aN
CNN radicals 29.5G0.8 123.4G3.3 Derived from 2000BIS/HOO

C–N2 DfH0 in ref.
Diazomethylene !41.7 !174.5 UV Photolysis 1971LAU/OKA

CH2aN2
Isocyanic acid (1) %122.1G0.3 %510.9G1.3 (1) Photolysis 1996BRO/BER

HNaCO (singlet-
triplet)
(2) 86.6G1.2 362.3G5.0 (2) Derived from
DfH0 in ref.
Cyanogen azide (1) 96.9G2.3 405.2G9.6 (1) PD (1) 1969OKA/MEL

N3–CN (2) 109.5G5 458.1G20.9 (2) Derived from (2) 1996NIST
DfH0 in ref.
1-Aza-1-diazoethane (1) 71.7 300.0 (1) Derived (1) 1993PEP/MAT

N3–CH3 (2) 80.1G5 335.1G20.5 (2) Derived from (2) 1988LIA/BAR
DfH0 in ref.
Azacyclopentyldiazomethen (1) 76.1G6.9 318.4G28.9 (1) Derived (1) 1969OKA/MEL

cyclo-C5H9–N3 (2) 76.2G3.3 318.8G13.8 (2) Calorimetry (2) 1993PEP/MAT
Azacyclohexyldiazomethen (1) 80.7G6.9 337.7G28.9 (1) Derived (1) 1969OKA/MEL

cyclo-C6H11–N3 (2) 81.1G3.7 339.3G15.5 (2) Calorimetry (2) 1993PEP/MAT
Azadiazophenylmethane (1) 85.3G4.6 357G19 (1) Derived (1) 1969OKA/MEL

N3–C6H5 (2) 89.8G5 375.7G20.9 (2) Derived from (2) 1988LIA/BAR
DfH0 in ref.
(3) 89.0G4.4 372.4G18.4 (3) Derived (3) 1993PEP/MAT
1-Aza-1-diazo-2-phenylethane 50.5G3.4 211.3G14.2 Calorimetry 1993PEP/MAT

N3–CH2C6H5
1-Aza-1-diazo-2,2,2- 46.6 195.0 Review 1974PEP/ERL

triphenylethane
N3–C(C6H5)3
3-Aza-3-diazoprop-3-en-1-ol 56.2G3.9 235.1G16.3 Calorimetry 1993PEP/MAT

N3–CH2CH2OH
Ethyl-3-aza-3-diazopro-3- 66.8G3.9 279.5G16.3 Calorimetry 1993PEP/MAT

enoate
N3–CH2C(O)OC2H5
1-Aza-1-diazo-2,2,2- 70.6G3.7 295.4G15.5 Calorimetry 1993PEP/MAT

trinitroethane
N3–C(NO2)3
1-Aza-1-diazo-2,2-dinitroprop- 66.4G3.7 277.8G15.5 Calorimetry 1993PEP/MAT

1-ene
N3–C(NO2)2Me
Methyl isocyanide (1) 101.5G2.2 424.7G9.2 Derived from (1) 1986PED/NAY

CH3–NC (2) 98.7G0.8 413.0G3.3 DfH0 in ref. (2) 2004KOI/BAE
Ethyl iso-cyanide (1) 100.1G1.7 418.8G7.1 Derived from (1) 1986PED/NAY

C2H5–NC (2) 98.8G2.0 413.4G8.4 DfH0 in ref. (2) 2004KOI/BAE
Iso-propyl isocyanide 101.1G2.0 423.0G8.4 Derived from 2004KOI/BAE

iso-C3H7–NC DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
Methods
Tert-butyl isocyanide 95.5G1.3 399.6G5.4 Derived from 2004KOI/BAE

tert-C4H9–NC DfH0 in ref.
Nitrosyl cyanide (1) 28.8G2.5 120.5G10.5 (1) EI (1) 1975GOW/JON

NC–NO (2) 48.8 204.4 (2) Photofrag. (2) 1987KHU/KNE
Nitrosomethane (1) 40G0.8 167.4G3.3 (1) Pyrolysis (1) 1973BAT/MIL

CH3–NO (2) 41.1 172.0 (2) Spectroscopy (2) 1990MCC/PFA
Nitroso-trifluoromethane (1) 31G3 129.7G12.6 (1) EI (1) 1973CAR/GOW

CF3–NO (2) 42.8G2 179.1G8.4 (2) Pyrolysis (2) 1979GLA/MAI
(3) 39.6G0.2 165.7G1.0 (3) Photolysis (3) 1983BOW/JON
(4) 39.9 167 (3) Spectroscopy (3) 1990MCC/PFA
Nitroso-trichloromethane (1) 32G3 133.9G12.6 (1) EI (1) 1973CAR/GOW

CCl3–NO (2) 29.9 125 (2) Photolysis (2) 1995LEY/MAS
Nitrosoethane 41.0 171.5 Derived from 1994NIST

C2H5–NO DfH0 in ref.
3-Nitroso-1-propene 26.3 110 FP 1995BOY/NOZ

CH2CHCH2–NO
2-Nitroso-propane 36.5G3 152.7G12.6 EI 1972CAR/GOW

iso-C3H7–NO
2-Chloro-2-nitrosopropane 36.9G0.6 154.3G2.4 Photofragment 1995TOM/WAL

Cl(CH3)2C–NO
Nitroso-tert-butane (1) 29G3 121.3G12.6 (1) EI (1) 1973CAR/GOW

tert-C4H9–NO (2) 39.5G1.5 165.3G6.3 (2) VLPP (2) 1974CHO/MEN
(3) 39.9 167 (3) Laser excit. (3) 1986NOB/QUI
2,2-Dimethyl-1-nitrosopropane 36 150.6 EI 1972CAR/GOW

tert-BuCH2–NO
Nitrosobenzene (1) 51.5G1 215.5 (1) VLPP (1) 1975CHO/GOL

C6H5–NO (2) 52.4G1.4 219.2G5.9 (2) Derived from (2) 1996NIST
DfH0 in ref.
(3) 54.2G0.5 226.8G2.1 (3) Pyrolysis (3) 1997PAR/DYA
Nitroso-pentafluorobenzene (1) 62G5 259.4G20.9 (1) EI (1) 1973CAR/GOW

C6F5–NO (2) 50.5G1 211.3G4.2 (2) VLPP (2) 1975CHO/GOL
Nitrosotoluene 29.4 123 FP 1995BOY/NOZ

C6H5CH2–NO
Nitromethyl radical 71.2G3 298G13 Derived 1993CYR/LEA

C%H2–NO2
Nitromethane (1) 60.8 254.4 (1) Review (1) 1981BAT/ROB

CH3–NO2 (2) 63.7 266.5 (2) ECD (2) 1989CHE/ALB
DfH0 in ref.
(4) 62.3G2.3 260.7G9.6 (4) ECD (4) 2002CHE/CHE
(5) 60G2 251.0G8.4 (5) Evaluated (5) 2003NGU/LE
Nitroethylene 71.5 299.2 Derived from 1999BUR

C2H3–NO2 DfH0 in ref.
Nitroethane (1) 58.6 245.2 (1) Review (1) 1981BAT/ROB

C2H5–NO2 (2) 60.8 254.4 (2) Derived from (2) 1986PED/NAY
DfH0 in ref.
1,1-Dichloro-1-nitro-propane 58.3 244.0 Derived from 1996NIST

CH3CCl2–NO2 DfH0 in ref.
(E)-nitro-propylene-2 69.3 290.0 Derived from 1999BUR

(CH3)CHaCH–NO2 DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
Methods
1-Nitropropane 61.3 256.5 Derived from 1986PED/NAY

nC3H7–NO2 DfH0 in ref.
2-Nitropropane (1) 59.0 246.9 (1) Review (1) 1981BAT/ROB

iso-C3H7–NO2 (2) 62.1 259.8 (2) Derived from (2) 1986PED/NAY
DfH0 in ref.
1-Nitrobutane (1) 60.9 254.8 Derived from (1) 1986PED/NAY

nC4H9–NO2 (2) 61.2 256.0 DfH0 in ref. (2) 2002KOS/MIR
2-Nitrobutane 62.9 263.2 Derived from 1986PED/NAY

sec-C4H9–NO2 DfH0 in ref.
2-Methyl-2-nitropropane (1) 58.5 244.8 (1) Review (1) 1981BAT/ROB

tert-C4H9–NO2 (2) 61.8 258.6 (2) Derived from (2) 1986PED/NAY
DfH0 in ref.
(3) 58.8 (3) 246.0 (3) Derived (3) 2001MAT/LEB
Nitropentane (1) 60.4G1.5 252.7G6.3 Derived from (1) 1997VER

nC5H11–NO2 (2) 60.2G1.5 251.9G6.3 DfH0 in ref. (2) 1999BUR
Nitrohexane 60.2 251.9 Derived from 1999BUR

nC6H13–NO2 DfH0 in ref.
Nitro-cyclo-propane 70.6 295.4 Derived from 1999BUR

cyclo-C3H5–NO2 DfH0 in ref.
Nitro-cyclo-hexane 64.0G1.5 267.8G6.3 Derived from 1997VER

cyclo-C6H11–NO2 DfH0 in ref.
Nitrobenzene (1) 71.3G1 298.3G4.2 (1) Review (1) 1981BAT/ROB

C6H5–NO2 (2) 71.4G2 298.7G8.4 (2) VLPP (2) 1985GON/LAR
(3) 70.7G1 295.8G4.2 (3) Derived from (3) 1986PED/NAY

DfH0 in ref.
Nitrobenzene, substituted
NO2
Y
YZ3-NH2 (1) 70.5 295.0 (1) Pyrolysis (1) 1975MAT/NAS
DfH0(3-NH2-C6H4)Z76.5
(320.1)
4-NH2 (1) 72.2 302.0
DfH0(4-NH2-C6H4)Z78.3
(327.8)
3-NO2 (1) 66.5 278.2
DfH0(3-NO2-C6H4)Z81.4G2.4 (2) 73.2G2.4 306.3G10.0 (2) VLPP (2) 1985GON/LAR
(340.6G10.0)
4-NO2 (1) 67.0 280.3
DfH0(4-NO2-C6H4)Z72.3
(302.7)
2-Me (2) 70.2G2.5 293.7G10.5
DfH0(2-Me-C6H4)Z75.3G2.5
(315.1G10.5)
4-Me (2) 71.4G2.3 298.7G9.6
DfH0(3-NO2-C6H4)Z70.9G2.3
(296.6G9.6)
3,5-(NO2)2 (1) 66.0 276.1
DfH0(3,5-(NO2)2-C6H3)Z73.0
(305.4)
2-Me-4-NO2 (2) 70.6G2 295.4G8.4
DfH0(2-Me-4-NO2-C6H3)Z
70.6G2 (295.4G8.4)
Phenylnitromethane (1) 50.3G1.5 210.3G6.3 (1) Derived from (1) 1986PED/NAY

C6H5CH2–NO2 DfH0 in ref.
(2) 47.0G2.3 196.6 (2) ECD (2) 1999CHE/WEL
1-Nitronaphthalene 77.3G1.6 323.4G6.7 Derived from 1986PED/NAY

1-naphtyl–NO2 DfH0 in ref.
Dinitromethane (1) 48.8G2.5 204.2G10.5 (1) Review (1) 1981BAT/ROB

(NO2)CH2–NO2 (2) 49.5 207.1 (2) Derived from (2) 1986PED/NAY
DfH0 in ref.
(3) 55.1 230.5 (3) Derived (3) 1994NAZ/MAN
(4) 52.2 218.4 (4) Derived (4) 2000MIR/VOR
Dinitrodifluoromethane 46.5 194.4 Derived 1994NAZ/MAN

(NO2)CF2–NO2
(continued)
BDEs (boldfaceZ
recommended data;
Methods
1,1-Dinitroethane (1) 46.3 193.6 Derived (1) 1994NAZ.MAN

(CH3)CH(NO2)–NO2 (2) 50.5 211.3 (2) 2000MIR/VOR(b)
1,1-Dinitropropane (1) 47.2 197.3 Derived (1) 1994NAZ.MAN

(C2H5)CH(NO2)–NO2 (2) 49.9 208.8 (2) 2000MIR/VOR(b)
2,2-Dinitropropane (1) 47.6 199.0 Derived (1) 1994NAZ.MAN

(CH3)2C(NO2)–NO2 (2) 49.9 208.8 (2) 2000MIR/VOR(b)

(C3H7)CH(NO2)–NO2

(C4H9)CH(NO2)–NO2
Trinitromethane (1) 43.7G2.5 182.8G10.5 (1) Review (1) 1981BAT/ROB

(NO2)2CH–NO2 (2) 41.6 173.9 (2) Derived (2) 1994NAZ/MAN
(3) 45.1 188.7 (3) Derived (2) 2000MIR/VOR(a)
Trinitrofluoromethane 41.7 174.3 Derived 1994NAZ/MAN

(NO2)2CF–NO2
Trinitrochloromethane 36.6 153.3 Derived 1994NAZ/MAN

(NO2)2CCl–NO2
Trinitrobromomethane 35.4 148.3 Derived 1994NAZ/MAN

(NO2)2CBr–NO2
1,1,1-Trinitroethane (1) 42.4 177.2 Derived (1) 1994NAZ.MAN

(CH3)(NO2)2C–NO2 (2) 42.7 178.7 (2) 2000MIR/VOR(b)
1,1,1-Trinitropropane (1) 41.5 173.5 Derived (1) 1994NAZ.MAN

(C2H5)(NO2)2C–NO2 (2) 41.9 175.3 (2) 2000MIR/VOR(b)
1,1,1-Trinitrobutane 41.5 173.6 Derived 2000MIR/VOR(b)

(C3H7)(NO2)2C–NO2
1,1,1-Trinitropentane 40.7 170.3 Derived 2000MIR/VOR(b)

(C4H9)(NO2)2C–NO2
Tetra-nitromethane (1) 40.5G1 169.5G4.2 (1) Review (1) 1981BAT/ROB

(NO3)3C–NO2 (2) 33.6 140.7 (2) Derived (2) 1994NAZ/MAN
(3) 42.1 176.1 (3) Derived (3) 2000MIR/VOR(a)
1,1,1,2,2-Pentanitrofluoroethane 35.9 150.0 Derived 1994NAZ/MAN

(NO2)2FC(NO2)2C–NO2
1,1,1,2,2,2-Hexanitroethane (1) 35.2 147.1 Derived (1) 1994NAZ.MAN

(NO2)3C(NO2)2C–NO2 (2) 35.8 149.8 (2) 2000MIR/VOR(b)
2-Nitrofuran
O NO 2 70.4 294.6 Pyrolysis 1987PRO/NAZ
Difluoro(trifluoromethyl)- 67.1 280.7 Derived from 1977PED/RYL

amine DfH0 in ref.
CF3–NF2
Tert-butyldifluoroamine 67.6G2.5 282.8G10.5 Derived from 1996NIST

tert-C4H9–NF2 DfH0 in ref.
N,N-difluorobenzylamine 56.7G3.5 237.2G14.6 Derived from 1996NIST

C6H5CH2–NF2 DfH0 in ref.
2,2-Bis(difluoroamino) propane (1) w47 w196.6 (1) Pyrolysis (1) 1993FOK/GRE

(CH3)2(NF2)C–NF2 (2) 47.8 200.0 (2) Pyrolysis (2) 2002PAR/CHA
Methylamine (1) 85.1G0.5 356.1G2.1 (1) Derived from (1) 1986PED/NAY

CH3–NH2 DfH0 in ref.
(2) 86.0 359.8 (2) Derived (2) 2001KOS/MIR
(3) 84.1 351.8 (3) Derived (3) 2003MIR/KON
(continued)
BDEs (boldfaceZ
recommended data;
Methods
Acetaldimine 102.1 427.2 Derived from 1988LIA/LIE

C2H3–NH2 DfH0 in ref.
Ethylamine (1) 84.2G1.5 352.3G6.3 (1) Derived from (1) 1986PED/NAY

(2) 82.1 343.3 (2) Derived (2) 2003MIR/KON
Cyclo-propylamine 92.8G0.6 388.3G2.5 Derived from 1986PED/NAY

cyclo-C3H5–NH2 DfH0 in ref.

nC3H7–NH2 DfH0 in ref.

iso-C3H7–NH2 DfH0 in ref.
Cyclo-butylamine 86.0G1.2 359.8G5.0 Derived from 1986PED/NAY

1-Butylamine 85.1G0.7 356.1G2.9 Derived from 1986PED/NAY

nC4H9–NH2 DfH0 in ref.
2-Butylamine 85.8G0.7 359.0G2.9 Derived from 1986PED/NAY

sec-C4H9–NH2 DfH0 in ref.
Iso-butylamine 84.8G1.2 254.8G5.0 Derived from 1986PED/NAY

iso-C4H9–NH2 DfH0 in ref.
2-Methyl-2-propylamine 85.0G1.5 355.6G6.3 Derived from 1986PED/NAY

tert-C4H9–NH2 DfH0 in ref.
Cyclo-pentyamine 82.9G1.2 346.9G5.0 Derived from 1986PED/NAY

2-Pyridylamine 103.0 431.0 Derived from 1988LIA/BAR

pyridin-2-yl–NH2 DfH0 in ref.


Aniline or benzenamine 102.6G1.0 429.3G4.2 Derived from 1986PED/NAY

Cyclo-hexylamine 87.6G1.5 366.5G6.3 Derived from 1986PED/NAY

Benzylamine (1) 71.1G1 297.5G4.2 (1) VLPP (1) 1972GOL/SOL

C6H5CH2–NH2 (2) 73.3G1.5 306.7G6.3 (2) Derived from (2) 1986PED/NAY
DfH0 in ref.
(3) 72.9G1, 0K 305G4 (3) Shock tube (3) 2002SON/GOL
a-Methylbenzylamine 73.5G2.3 307.5G9.6 Derived from 1999VER

C6H5CH(CH)3–NH2 DfH0 in ref.
a,a-dimethylbenzylamine 72.8G2.3 304.6G9.6 Derived from 1999VER

C6H5C(CH3)2–NH2 DfH0 in ref.
1-Naphthylamine 102.8G2 430.1G8.4 Derived from 1986PED/NAY

1-naphtyl–NH2 DfH0 in ref.
2-Naphthylamine 108.3G2 453.1G8.4 Derived from 1986PED/NAY

2-naphtyl–NH2 DfH0 in ref.
Formamide (1) 99.0 414.2 Derived from (1) 1996NIST

HC(O)–NH2 (2) 100.8G2 421.7G8.4 DfH0 in ref. (2) 2002CRC
(continued)
BDEs (boldfaceZ
recommended data;
Methods
Acetamide 99.1G2 414.6G8.4 Derived from 2002CRC

CH3C(O)–NH2 DfH0 in ref.
Propanamide 98.7 413.0 Derived from 1996NIST

C2H5C(O)–NH2 DfH0 in ref.
Benzamide 96.4 403.3 Derived from 1996NIST

C6H5C(O)–NH2 DfH0 in ref.

H2NCH2CH2–NH2
Methyl hydrazine 70.7G2.5 295.8G10.5 Derived from 1986PED/NAY

CH3–NHNH2 DfH0 in ref.
Phenyl hydrazine 88.6G2.5 370.7G10.5 Derived from 1986PED/NAY

C6H5–NHNH2 DfH0 in ref.
N,N,N 0 N 0 -methyl- 55.6G3 232.6G12.6 Derived from 1986PED/NAY

methanediamine DfH0 in ref.
(CH3)2N–CH2N(CH3)2
Dimethylamine (1) 82.2G2.5 343.9G10.5 Derived (1) 1982MCM/GOL

CH3–NHCH3 (2) 81.9 342.7 (2) 2001KOS/MIR
Ethyl methylamine 79.8G1 333.9G4.2 Derived 1982MCM/GOL

C2H5–NHCH3
Phenyl methylamine 100.6G2.5 420.9G10.5 Derived 1982MCM/GOL

C6H5–NHCH3
Benzyl methylamine 68.7G2 287.4G8.4 VLPP 1972GOL/SOL

C6H5CH2–NHCH3
N-methyl acetamide 100.9 422.2 Derived from 1996NIST

CH3C(O)–NHCH3 DfH0 in ref.
Trimethylamine (1) 75.5G2.5 315.9G10.5 (1) Derived (1) 1982MCM/GOL

CH3–N(CH3)2 (2) 78.6G2 328.9 (2) Derived from (2) 1996NIST
DfH0 in ref.
(3) 79.3 331.8 (3) Derived (3) 2001KOS/MIR
Ethyl dimethylamine 72.3G2 302.5G8.4 Derived 1982MCM/GOL

C2H5–N(CH3)2
1,1-Dimethylhydrazine 90 377 Pyrolysis 1964EBE

CH3–N(CH3)NH2
Phenyl dimethylamine 93.2G2.5 389.9G10.5 Derived 1982MCM/GOL

C6H5–N(CH3)2
Benzyl dimethylamine (1) 62.1G2.5 259.8G10.5 (1) VLPP (1) 1972GOL/SOL

C6H5CH2–N(CH3)2 (2) 68.1 284.9 (2) Derived from (2) 1999VER
DfH0 in ref.
1-Methylpyrrile 81.3G2 340.2G8.4 Derived from 2002CRC

CH3–pyrrol-1-yl DfH0 in ref.
N-methylaniline (1) 71.4G2 298.7G8.4 (1) VLPP (1) 1978COL/BEN

CH3–NHC6H5 (2) 68.9 288.3 (2) Pyrolysis (2) 1990BEC/DOG
N-ethylaniline (1) 73.3G2 306.7G8.4 Derived from (1) 1986PED/NAY

C2H5–NHC6H5 (2) 70.9G2 296.6G8.4 DfH0 in ref. (2) 1997VER(b)
Diphenylamide 87.4 365.7 Derived from 1969BEN/CRU

C6H5–NHC6H5 DfH0 in ref.
N-benzylaniline 58.9 246.4 Derived from 1997VER(b)

PhCH2–NHC6H5 DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
Methods
N,N 0 -methylaniline 70.8 296.2 VLPP 1978COL/BEN

CH3–N(CH3)C6H5
Dimethyl phenylamine 70.8G2 296.2G8.4 VLPP 1978COL/BEN

C6H5(CH3)N–CH3
Dimethyl benzylamine 62.1G2 259.8G8.4 VLPP 1972GOL/SOL

(CH3)2N–CH2Ph
Azomethane 52.5 219.7 Pyrolysis 1970BEN/ONE

CH3–N2CH3
Azohexafluoroethane 55.2 231.0 Pyrolysis 1970BEN/ONE

CF3–N2CF3
Azoethane 50 209.2 Pyrolysis 1970BEN/ONE

C2H5–N2C2H5
Azoisopropane 47.3 197.9 Pyrolysis 1970BEN/ONE

iso-C3H7–N2-iso-C3H7
Azobutane 50 209.2 Pyrolysis 1970BEN/ONE

nC4H9–N2-nC4H9
Azoisobutane 49 205.0 Pyrolysis 1970BEN/ONE

iso-C4H9–N2-iso-C4H9
Azo-2-butane 46.7 195.4 Pyrolysis 1970BEN/ONE

sec-C4H9–N2-sec-C4H9
Azotertbutane 43.5 182.0 Pyrolysis 1970BEN/ONE

tert-C4H9–N2-tert-C4H9
Azobenzene 60.6 253.8 PI 1998SHE/WU

C6H5N2–C6H5
p-Aminoazobenzene 63.0G2.3 263.4G9.6 PI 1999WU/SHE

p-NH2–C6H4N2-C6H5
p-Hydroxyazobenzene 82.3G1.2 344.4G4.8 PI 2001CHE/ZHA

p-OHC6H4–N2C6H5
p-Hydroxyazobenzene 48.0G1.2 200.7G4.8 PI 2001CHE/ZHA

p-OH-C6H4N2–C6H5
Azotoluene 37.6 157.3 Pyrolysis 1970BEN/ONE

C6H5CH2–N2CH2C6H5

(NHNO2)–CH2(NHNO2)

(NHNO2)–CH2CH2(NHNO2)
Nitro[5-(nitroamino)pentyl]amine 47.5 198.7 Derived 2003MIR/KON

(NHNO2)–CH2(CH2)5
(NHNO2)
N,N-dimethylformamide (1) 89.7G3.2 375.3G13.4 (1) Derived (1) 1999FOR/BUT

HC(O)–N(CH3)2 (2) 93.7G2 392.0G8.4 (2) Derived from (2) 2002CRC
DfH0 in ref.
N-methyl-acetamide 100.9 422.2 Derived from 1996NIST

CH3C(O)–NH(CH3) DfH0 in ref.
N,N-dimethylacetamide 91.4 382.4 Derived from 1986PED/NAY

CH3C(O)–N(CH3)2 DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
Methods
N,N-dimethyl-propanamide 90.0 376.7 Derived from 1996NIST

C2H5C(O)–N(CH3)2 DfH0 in ref.
1-(dimethylamino)-2-propanone 72.7 304.2 Derived from 1996NIST

CH3C(O)CH2–N(CH3)2 DfH0 in ref.
N,N-dimethylformamide w80 w335 Derived 1999FOR/BUT

CH3–N(CH3)C(O)H
Methylnitroamine (1) 71.0 297.1 Derived (1) 2001KOS/MIR

CH3–NHNO2 (2) 68.8 287.9 (2) 2003MIR/KON
Dimethylnitroamine 69.8 292.0 Derived 2001KOS/MIR

CH3–N(CH3)NO2
Methyl((methylnitroamino)- 70.1 293.3 Derived 2001KOS/MIR

methyl)nitroamine
CH3N(NO2)CH2–N(NO2)CH3
Nitrozoamines
(NO2)3CCH2–N(NO2)H2C(NO2)3 53.5 223.8 Derived 2001MIR/KOS
(NO2)2CHCH2–N(NO2)- 59.0 246.9
CH2CH(NO2)2
(NO2)3CCH2–N(NO2)- 64.0 267.8
CH2CH2C(NO2)3
(NO2)3CCH2–N(NO2)- 52.6 220.1
CH2N(NO2)CH2C(NO2)3
(NO2)2CHCH2–N(NO2)- 57.9 242.3
(CH2)2N(NO2)CH2CH(NO2)2
(NO2)3CCH2–N(NO)- 53.3 223.0
CH2C(NO2)3
(NO2)3CCH2–N(NO)- 49.5 207.1
(CH2)2N(NO)CH2C(NO2)3
Bis(1,1-dimethyl-silaethyl)- 87 364 Derived 1998BEC/WAL

methylamine
CH3–N(SiMe3)2
Amonomethanenitrile 118.8G3 497.1G12.6 Derived from 2001BIS/HOO

H2N–CN DfH0 in ref.
N-(aminocarbonyl)acetamide 115.6G2 483.7G8.4 Derived from 2002CRC

HC(O)–NHC(O)NH2 DfH0 in ref.
N-methylglycine or sarcosine 72.3G2 302.5G8.4 Derived from 2002CRC

HO(O)CCH2–NHCH3 DfH0 in ref.
a-Aminino-benzeneacetic acid 63.1G2 264.0G8.4 Derived from 1996NIST

HO(O)CCH2–NHC6H5 DfH0 in ref.
Methanisothiocyanate 75.5 315.9 Derived from 1996NIST

CH3–NCS DfH0 in ref.
F2SN–CN 64G5 268G21 Derived 1973LAR/JOH

F2SN–CF3 39G7 163G19
CH3–NHC%H2 13.7G3 57.3G12.6 Derived from 1996NIST

CH3–N(CH3)C%H2 10.7G3 44.8G12.6 DfH0 in ref.
C6H5–N(CH3)C%H2 26.3G3 110.0G12.6
CF3–N 39G3 163G13 Derived 1973LAR/JOH
C6H5CH2–N2 w1.1 w4.8 Spectroscopy 1993DIS/BER

7.4 N–S bonds

Table 7.4 N–S BDEs
BDEs (boldfaceZ
recommended data;
Methods
Thiazyl 111.6G5.7 467G24 Review 2004LOD

S–N
Nitrothiol 33.2 138.9 Derived from 1984BLA/PAT

HS–NO DfH0 in ref.
(Nitrothio)methyl acetate 19.1 80 AOP 2000LU/ZHU

CH3C(O)OCH2S–NO
Methylnitrosothio 25G1 104.6G4.2 Review 1978BEN

CH3S–NO
(Tert-butyl)nitrosothio 27.5 115.1 AOP 2001LU/WIT

tert-BuS–NO
(Hexyl)nitrosothio 28.9G0.3 120.9G1.3 Pyrolysis 2001BAR/MAN

CH3(CH2)5S–NO
(Cyclo-hexyl)nitrosothio 31.6G0.8 132.2G3.3 Pyrolysis 2001BAR/MAN

cyclo-C6H11S–NO
(Benzyl)nitrosothio 28.8 120.5 AOP 2001LU/WIT

PhCH2S–NO
(Triaryl)nitrosothio 29G1 121.3G4.2 Review 1978BEN

(Ar)3S–NO
(Phenyl)nitrosothio, substituted
S NO
Y
YZH (2) 19.4G1.3 81.2G5.4 AOP (1) 2000LU/ZHU
2-Cl (2) 19.3G1.5 80.8G6.3 (2) 2001LU/WIT
3-Cl (2) 20.9G1.4 87.4G5.9

4-Cl (2) 19.2G1.4 80.3G5.9
2-Me (1) 17.2G1.4 72G5.9
3-Me (2) 19.9G1.2 83.3G5.0
4-Me (2) 21.4G1.2 89.5G5.0
4-MeO (2) 21.0G1.9 87.9G7.9
4-NO2 (2) 18.6G1.5 77.8G6.3
Thiazyl trifluoride (1) 93G3 389.1G12.6 (1) Calorimetry (1) 1970OHA/HUB

NbSF3 (2) 100G2 418G8 (2) Derived (2) 1973LAR/JOH
Thiazyl difluoride 63G8 264G33 Derived 1973LAR/JOH

NbSF2
Thiazyl fluoride (1) 71G5 297G21 (1) Calorimetry (1) 1970OHA/HUB

NbSF (2) 126G3 527G13 (2) Derived (2) 1973LAR/JOH
Phenylphenylthiodiazene 29G1 121.3G4.2 Review 1978BEN

PhNaN-SPh
Thiocyanogen 61.1 255.6 Derived from 1998CHA

SCN–SCN DfH0 in ref.
Fluorosulfuryldifluoramine 39 163 MS 1965PAU/LUS

FSO2–NF2
Bis(fluorosulfuryl)fluoramine 48 201 MS 1965PAU/LUS

(FSO2)2–NF2
Pentafluorosulfur 32 134 MS 1965PAU/LUS

difluororamine
SF5–NF2
F2S–NCN 42G3 176G13 Derived 1973LAR/JOH

F2S–NCF3 61G3 255G13
7.5 N–halogen bonds

Table 7.5 N–Halogen BDEs
BDEs (boldfaceZ
recommended data;
Methods
(boldfaceZdissociated atom) kcal/mol kJ/mol parentheses) References
Nitrosyl fluoride 56.23 235.26 Derived from 2003NASA/JPL

F–NO DfH0 in ref.
Nitryl fluoride 52.9 221.3 Derived from 2003NASA/JPL

F–NO2 DfH0 in ref.
Nitrogen trifluoride
F–NF2 (1) 60.7 254.0 (1) Derived from (1) 1998CHA
DfH0 in ref.
F–NF (1) 58.8 246.0
F–N (2) 70.1G8.1 293.3G33.8 (2) Derived (2) 1970CLA/CLY
(3) 82.0 343.1 (3) Spectroscopy (3) 1979HUB/HER
(4) %83.3 %349 (4) IR CL (4) 1988DU/SET
Fluoroamine 68.5 286.6 Derived from 1994NIST

F–NH2 DfH0 in ref.
Difluoroamine 70.4 294.6 Derived from 1989GUR/VEY

F–NHF DfH0 in ref.
Nitrogen monochloride 79.8G2.3 333.9G9.6 Derived 1970CLA/CLY

Cl–N
Nitrosyl chloride 38.0G0.2 158.8G0.8 Derived from 2003NASA/JPL

Cl–NO DfH0 in ref.
Nitryl chloride 33.9G0.3 141.8G1.3 Derived from 2003NASA/JPL

Cl–NO2 DfH0 in ref.
Nitrogen chlorofluoride w 32 w134 Kinetics 1967PET

Cl–NF2
Chloramide 60.5 253.1 Derived from 1994NIST

Cl–NH2 DfH0 in ref.
Chlorine azide (1) 32.5G3.2 136.0G13.5 (1) Derived (1) 1970CLA/CLY

Cl–N3 (2) 51.7G2.3 216.1G9.6 (2) Photolysis (2) 2003HAN/WOD
Isocyanato chloride 46.6 195 Est. by exp. 2005GAO/MAC

Cl–NCO
Nitrogen monobromide 67.1G5 280.8G21 Devived 1970CLA/CLY

Br–N
Nitrosyl bromide 28.7G0.2 120.1G0.8 Derived from 2003NASA/JPL

Br–NO DfH0 in ref.
Nitryl bromide 19.6G1.7 82.0G7.1 Fluorescence 1991KRE/NIC

Br–NO2
Nitrogen bromofluoride !54.3 !227.2 Kinetics 1972CLY/CON

Br–NF2
Nitrogen iodide 38G4 159G17 Review 1974GUR/KAR

I–N
Nitrosyl iodide (1) 18.6G0.1 77.8G0.4 (1) UV spectra (1) 1981FOR/HIP

I–NO (2) 18.1G1 75.6G4 (2) Derived from (2) 2003NASA/JPL
DfH0 in ref.
Nitryl iodide (1) 18.3G1.0 76.6G0.4 (1) Spectroscopy (1) 1976VAN/TRO

I–NO2 (2) 19.0G1 79.6G4 (2) Derived from (2) 2003NASA/JPL
DfHH in ref.
N-halogenosuccinimide
X
O N O
XZ Cl (1) 73G4 305.4G16.7 Electrochemical (1) 1993LIN/JON

Br (2) 66G2 276.1G8.4 (2) 1998LIN/MER
(continued)
Table 7.5 (continued) N–Halogen BDEs
BDEs (boldfaceZ
recommended data;
Methods
(boldfaceZdissociated atom) kcal/mol kJ/mol parentheses) References
1-Bromo-2,6-piperidione
Br
O
O N 65G2 272.0G8.4 Electrochemical 1998LIN/MER
61 2
5 3
4
Note: (1) The BDEs in the clusters and complexes of hydrocarbon and carbon ions are listed in Table 24.1;
(2) The BDEs in the clusters and complexes of oxygen, nitrogen, and sulfur ions are listed in
Table 25.1, Table 25.2, and Table 26.1, respectively;
(3) The BDEs in the clusters and complexes of halogenated ions are listed in Chapter 27.
7.6 N–B, N–Al, N–Ga, and N–In bonds

The BDEs in the bonds are listed in Chapter 23.
Note:
1. The data of N–O bonds see the O–N bonds on page 295
2. The BDEs in the clusters and complexes of C-, Si-, Ge-, Sn-, and Pb-ions are listed in
Chapter 24.
3. The BDEs in the clusters and complexes of N-, P-As-, Sb-, and Bi–ions are listed in
Chapter 25.
4. The BDEs in the clusters and complexes of O-, S-, Se-, Te-, and Po-ions are listed in
Chapter 26.
5. The BDEs in the clusters and complexes of halogenated ions are listed in
Chapter 27.
chapter eight
BDEs of S–, Se–, Te–, Po–X bonds
8.1 S–H bonds

Table 8.1 S–H BDEs
BDEs (boldfaceZ
recommended data;
Hydrogen sulfide (1) 91.1G1 381.2G4.2 (1) Iodination (1) 1979HWA/BEN

H–SH (2) 91.2G0.7 381.6G2.9 (2) Fluorescence (2) 1992STI/NIC
(143.0G0.8) (4) 91.2G0.1 381.4G0.5 (4) Photolysis (4) 1996WIL/HOW
(5) 91.10G0.01 381.18G0.05 (5) Spectroscopy (5) 2000SHI/HU
Mercapto radical (1) 83.4 349.1 (1) PIMS (1) 1986GIB/GRE

H–S (2) 84.4G0.7 353.1G2.9 (2) PD (2) 1991CON/BAL
(3) 84.66G0.29 354.21G1.20 (3) Photofrag. (3) 1993MOR/LAM
(4) 84.6G1.0 353.9G4.3 (4) Derived (4) 2000REM/ERV
(5) 84.50G0.07 353.57G0.30 (5) PD (5) 2005ZHO/YUA
Hydrogen sulfide-d2 (1) 92.76G0.14 388.10G0.60 (1) Photofrag. (1) 1993MOR/LAM

D–SD (2) R92.31G0.06 R386.24G0.26 (2) PI (2) 2001COO/LAN
Mercapto radical-d (1) 83.9 351 (1) Spectroscopy (1) 1979HUB/HRER

D–S (2) 83.80G0.29 350.62G1.20 (2) Photofrag. (2) 1993MOR/LAM
Mercapto fluoride 56.9 237.9 Derived from DfH0 2005HOW/MAY

H–SF in ref.
(continued)
425
Table 8.1 (continued) S–H BDEs
BDEs (boldfaceZ
recommended data;
Methylthiol (1) 88.1 368.6 (1) VLPP (1) 1977COL/BEN(b)

H–SCH3 (2) 86.4G2.2 361.5G9.2 (2) PES (2) 1987MOR/ELL
DfH0(R)Z29.8G0.4 (3) 87.4 365.7 (3) Fluorescence (3) 1992NIC/KRE
(124.7G1.7) (4) 87.4G0.5 365.7G2.1 (4) Recommended (4) 1994BER/ELL
(5) 87.0G0.4 364.0G1.7 (5) Photolysis (5) 1999BIS/CHO
H–SCD3 (6) 88.3G2 369.4G8.4 (6) PEDt (6) 1980JAN/REE
Ethene-1-thiol 84G2 351.5G8.4 Review 1978BEN

H–SCHCH2
Ethylthiol (1) 88.6G2 370.7G8.4 (1) PEDt (1) 1980JAN/REE

H–SC2H5 (2) 87.3 365.3 (2) Derived from (2) 1986PED/NAY
DfH0(R)Z24.1 (101) DfH0 in ref.
Propylthiol (1) 88.6G2 370.7G8.4 (1) PEDt (1) 1980JAN/REE

H–SC3H7 (2) 87.4 365.7 (2) Derived from (2) 1986PED/NAY
DfH0(R)Z19.1 (80) DfH0 in ref.
Iso-propylthiol (1) 88.4G2 369.9G8.4 (1) PEDt (1) 1980JAN/REE

H–S-iso-C3H7 (2) 87.7 366.9 (2) Correlation (2) 2005DEN/TUM
DfH0(R)Z17.9G2 (74.9G8.4)
n-Butylthiol (1) 87.1G2.3 364.4G9.6 (1) Derived (1) 2004FAT/KAS

H–S-n-C4H9 (2) 87.5 366.0 (2) Correlation (2) 2005DEN/TUM
tert-Butylthiol (1) 88.6G2 370.7G8.4 (1) PEDt (1) 1980JAN/REE

H–S-tert-C4H9 (2) 86.6G2.2 362.3G9.2 (2) GPA (2) 2003REE/HAR
DfH0(R)Z10.5G2
(43.9G8.4)
Octane-2-thiol 88.3 369.3 Correlation 2005DEN/TUM

H–SCH(CH3)(CH2)5CH3
BDEs of S–, Se–, Te–, Po–X Bonds 427
Decanethiol 88.1 368.6 Correlation 2005DEN/TUM

H–S-n-C10H21
Dodecanethiol 87.9 367.7 Correlation 2005DEN/TUM

H–S-n-C12H25
2,4,4,6,6-Pentamethyl 87.9 367.9 Correlation 2005DEN/TUM

pentane-2-thiol
H–SCMe2CH2CMe2CH2tBu
Alkyl thiol 87.4 365.7 Review 1992NIC/KRE

H–SR
Cyclo-hexanethiol 87.1 364.4 Correlation 2005DEN/TUM

H
S H
Benzenethiol (1) 83.3G2 348.5G8.4 (1) VLPP (1) 1982MCM/GOL

PhS–H (2) 79.4 332.2 (2) AOP (2) 1992VEN/AMA
DfH0(R)Z58.0G1.1 (3) 80 334.7 (3) AOP (3) 1996ARM/SUN
(5) 83.5G1.1 349.4G4.5 (5) TR-PAC (5) 2002SAN/MUR
Benzenethiol, substituted
S H
Y
YZ2-Cl (1) 80.0 334.7 (1) AOP (1) 1994BOR/ZHA(b)
3-Cl (1) 80.1 335.1 (2) AOP (2) 1992VEN/AMA
(4) 80.3 335.8 (3) AOP (3) 1997ZHU/ZHA
4-Cl (1) 79.2 331.4
(5) 86.1G0.8 360.4G3.5 (5) TR-PAC (5) 2002SAN/MUR
4-Br (1) 79.3 331.8
(2) 80.2 335.6
4-NH2 (1) 69.8 292.0

(2) 70.0 292.9
2-Me (1) 78.8 329.7
3-Me (1) 78.9 330.1

(4) 80.8 338.1
(continued)
BDEs (boldfaceZ
recommended data;
4-Me (1) 78.3 327.6

(2) 77.8 325.5
(3) 78.4 328.0
(4) 80.0 334.8
(5) 84.8G1.0 354.9G4.1
4-MeO (1) 76.9 321.7
(2) 76.2 318.8
(3) 78.6 328.9
(4) 78.7 329.3
(5) 83.3G1.0 348.5G4.0
3-CF3 (4) 80.8 338.1
4-CF3 (1) 80.9 338.5
(5) 86.0G0.9 359.9G3.9
2-MeCO2 (1) 78.7 329.3
4-NO2 (1) 81.4 340.6
(2) 81.6 341.4
4-OH (2) 76.0 318.0
4-EtO (4) 78.8 329.6

4-tert-Bu (4) 80.7 337.7
2,4,6-Me3 (4) 80.4 336.6
Benzenethiol 87.6 366.5 Derived from DfH0 2000MUF/KHA

C6Cl5S–H in ref.
Phenylmethane-1-thiol (1) 86.9 363.6 (1) AOP (1) 1994BOR/ZHA(b)

PhCH2S–H (2) 87.8 367.4 (2) Correlation (2) 1996DEN
DfH0(R)Z58.9 (246.4)
Oxythio radical (1) 41.3 172.8 (1) Kinetics (1) 1978WHI/GAR

H–SO (2) 58.5G2 244.8G8 (2) Derived from (2) 2005DEN
DfH0(R)Z1.2G0.3 DfH0 in ref.
(5.0G1.3)
Oxythio 79G3.5 330.5G14.6 Ion flow tube 1993OHA/DEP

H–SOH
DfH0(R)ZK1.6G0.5
(K6.7G2.1)
Thioacetic acid 88.6 370.7 Electrochemical 1999ZHA/LIN

H–SCOCH3
Thiobenzoic acid 87 364.0 Pulse radiolysis 1998ZHA/LIN

H–SCOPh
Benzoylthiolate, substituted
O
Y C S H
YZH 87.4 365.7 AOP 2000ZHA/LIN
CH3 87 364.0
CH3O 87 364.0
CF3 86 359.8
CN 86 359.8
Methylsulfone %95 %397 Kinetics 1976HOR

H–SO2CH3
2-Hydroxyethanedithioic acid 88.0 368.2 Correlation 2005DEN/TUM

HOCH2C(S)S–H
Phenylmethanedithioc acid 87.9 367.9 Correlation 2005DEN/TUM

PhC(S)S–H
2-Amino-3-sulfanyl 86.0 360.0 Correlation 2005DEN/TUM

propanoic acid
H–SCH2CH(NH2)
C(O)OH
2-Amino-4-methyl-3- 86.8 363.1 Correlation 2005DEN/TUM

sulfanylpentanoic acid
(CH3)2SHCH(NH2)
C(O)OH
Amino-acid
NH2
NH S H
HO(O)C
O
NH C(O)OH
O
(continued)
BDEs (boldfaceZ
recommended data;
Naphthalenethiol
S H
1
2
3
4
H–S at site 1 (1) 78.5 328.4 (1) Correlation (1) 2000DEN/DEN

2 (1) 78.1 326.8
(2) 77.9 325.9 (2) AOP (2) 1994BOR/ZHA(b)
Thio-a-tocopherol
H
R5
S
CH 2 R
O
R7 CH3
CH3
R = CH2CH2CHCH2 H
3 80.0 334.7 Correlation 2000DEN/DEN
CH 3
Hydrogen disulfide radicals 55.2G4 231.0G16.7 Derived from DfH0 1993OHA/DEP

H–SS% in ref.
Hydrogen disulfide (1) 76G3.5 318.0G14.6 (1) Ion flow tube (1) 1993OHA/DEP
H–SSH (2) 77.7 325.0 (2) Correlation (2) 2005DEN/TUM
DfH0(R)Z27.6G3.5
(115.5G14.6)
Hydrogen methyl disulfide (1) 79G3.5 330.5G14.6 (1) Ion flow tube (1) 1993OHA/DEP
H–SSMe (2) 70.5 295.0 (2) Correlation (2) 2005DEN/TUM
DfH0(R)Z16.4G2
(68.6G8.4)
Hydrogen alkyl disulfide 70G1.5 292.9G6.5 Review 1978BEN

H–SSR
Hydrogen trisulfide 70G1.5 292.9G6.5 Review 1978BEN

H–SSSH
Hydrogen polysulfide 70G1.5 292.9G6.5 Review 1978BEN

H–S3CnH
Hydrogen alkyl polysulfide 70G1.5 292.9G6.5 Review 1978BEN

H–S3CnR
Thiocynic acid %93.3G1.1 %390.4G4.6 PIMS 1994RUS/BER(b)

H–SCN
H–SC%H2 44.1G2.5 184.5G10.5 Derived from DfH0 1996NIST

in ref.
8.2 S–S bonds

Table 8.2 S–S BDEs
BDEs (boldfaceZ
recommended data;
Disulfur 101.65 425.30 Spectroscopy 1979HUB/HER

S–S
Disulfur cation (1) 123.8 518.1 (1) Derived (1) 1979HUB/HER

SC–S (2) 124.9G0.1 522.4G0.5 (2) PI (2) 1986LIA/NG(b)
(Also see Chapter 26)
Disulfur anion (1) 130G10 544G42 (1) Derived (1) 1974GUR/KAR

SK–S (2) 92.3G0.3 386.0G1.4 (2) Derived from EA (2) 1996NIST
(Also see Chapter 26) in ref.
Trisulfur 62.5G1.8, 0 K 261.5G7.7 Derived 2003KRE/SCH

S–S2
(continued)
Table 8.2 (continued) S–S BDEs
BDEs (boldfaceZ
recommended data;
Disulfur oxide 80.9 338.5 Derived from DfH0 1998CHA

SaSO in ref.
Hydrogen disulfur 51G7 213.4G29 Review 1978BEN

SaSH2
Difluoro disulfur O57G8 O238.5G34 Review 1978BEN

SaSF2
Dimethyl disulfur 53G4 221.8G17 Review 1978BEN

SaSMe2
Hydrogen disulfide 64.7G1 270.7G8.4 Derived from DfH0 2002CRC

HS–SH in ref.
Difluorodisulfane 86.6 362.3 Derived from DfH0 1998CHA

FS–SF in ref.
Dichlorodisulfane (1) 46G7 192G29 (1) Derived (1) 1978TAK

ClS–SCl (2) 78.8 329.7 (2) Derived from (2) 1996NIST
DfH0 in ref.
Chlorodisulfane (1) 68G5 285G21 (1) Derived (1) 1978TAK

ClS–S (2) 84.8 354.9 (2) Derived from (2) 1996NIST
DfH0 in ref.
Methanehydrodifulfide 65.0 272.0 Derived 1999ARM

CH3S–SH
Alkylhydrodifulfide 65.2 272.8 Derived 1999ARM

RS–SH
Phenyl hydrodisulfide 61G1.5 255.2G6.3 Derived 1978BEN

PhS–SH
Dimethyl disulphide (1) 62.9G2.6 263G11 (1) Mol. beam (1) 1988PEN/CAO
CH3S–SCH3 (2) 64 267.8 (2) Electrochemical (2) 1992NUZ
(3) 65.2G0.9 272.8G3.8 (3) Fluorescence (3) 1992NIC/KRE
Diethyl disulphide 66.1 276.6 Derived from DfH0 1986PED/NAY

C2H5S–SC2H5 in ref.
Dipropyl disulphide 66.2 277.0 Derived from DfH0 1986PED/NAY

C3H7S–SC3H7 in ref.
Dibutyl disulphide 72 301 AOP 1991BAU/FAS

nC4H9S–S–nC4H9
Dialkyl disulphide 66.2 277.0 Derived 1999ARM

RS–SR
Methyl phenyl 65G1.5 272.0G6.3 Derived 1978BEN

disulphide
MeS–SPh
Diphenyl disulphide (1) 47 196.6 (1) Electrochemical (1) 1992NUZ

C6H5S–SC6H5 (2) 51.2G3 214.2G12.6 (2) Derived from (2) 1986PED/NAY
DfH0 in ref.
(3) 55G2 230G8.4 (3) AOP (3) 1991BAU/FAS
(4) 43 180 (4) Derived (4) 2000HOF
(5) 46G3 192.5G12.6 (5) Calorimetry (5) 2005MCD/WEI
Sulfur fluoride 72.8G5 305G21 Derived from DfH0 1996NIST

F5S–SF5 in ref.
Hydrogen trisulfide 50G2 209.2G8.4 Derived 1978BEN

HS–SSH
(continued)
Table 8.2 (continued) S–S BDEs
BDEs (boldfaceZ
recommended data;
Methyl hydrotrisulfide 54G2 225.9G8.4 Derived 1978BEN

CH3S–SSH
Alkyl hydrotrisulfide 54G2 225.9G8.4 Derived 1978BEN

RS–SSH
Phenyl hydrotrisulfide 44G2 184.1G8.4 Derived 1978BEN

PhS–SSH
Hydrogen tetrasulfide 33.6G2 140.6G8.4 Derived 1978BEN

HSS–SSH
Methyl methyl disulfonyl 32.9 137.7 Derived 1986HAW/GRI

dissulfide
MeSS–SSMe
Ethyl ethyl disulfonyl 32.8 137.2 Derived 1986HAW/GRI

dissulfide
EtSS–SSEt
Iso-propyl iso-propyl 32.0 133.9 Derived 1986HAW/GRI

disulfonyl dissulfide
iso-PrSS–SS-iso-Pr
tert-Butyl tert-butyl 32.4 135.6 Derived 1986HAW/GRI

disulfonyl dissulfide
tert-BuSS–SS-tert-Bu
Dialkyl tetrasulfide 33.6G2 140.6G8.4 Derived 1978BEN

RSS–SSR
Dialkyl polysulfide 33.6G2 140.6G8.4 Derived 1978BEN

RS2Cn–S2CmR
Hydro disulphide 79G1 330.5G4.2 Derived 1978BEN

radicals
HS–S%
Methyl disulphide 83G1 347.3G4.2 Derived 1978BEN

radicals
CH3S–S%
Phenyl disulphide 74G1.5 309.6G6.3 Derived 1978BEN

radicals
PhS–S%
Alkyl trisulphide 63G1 263.6G4.2 Derived 1978BEN

radicals
RSS–S%
Alkyl tetrasulphide 47.5G1 198.7G4.2 Derived 1978BEN

radicals
RSS–S%2
Dialkyl disulfide ions

(RS–SR 0 )C%
RZMe, R 0 ZMe (1) 26.5G0.5 (1) 111G2 (1) Equilibrium (1) 1995DEN/ILL
(2) 27.5 (2) 115 (2) FT-ICR (2) 1998VIS/BIC
Me Et (2) 26.8 112
Et Et (1) 27.5G0.7 (1) 115G3
(2) 27.5 (2) 115
(3) 27.5G2.3 (3) 115G10 (3) FT-ICR (3) 1996VIS/KON
Et n-Pr (2) 25.6 107
n-Pr n-Pr (2) 24.6 (2) 103
(3) 23.3G2.3 (3) 97G10
i-Pr i-Pr (2) 33.5 140
n-Bu n-Bu (2) 23.2 (2) 97
(3) 21.2G2.3 (3) 89G10
Tetradialkyl disulfide
ions
(R2SS–SSR2 0 )C
RZMe, R 0 ZMe 27.5 at 0 K 115 Equilibrium 1996JAM/ILL
Me, Et 25.6 107
Et, Et 28.7 120
n-Pr, n-Pr w29.4 w123
8.3 S–C bonds

Table 8.3 S–C BDEs
BDEs (boldfaceZ
recommended data;
atoms or group) kcal/mol kJ/mol parentheses) References
Carbon monosulfide (1) 170.2G0.5 712.1G2.3 MS (1) 1979COP/REY

S–C (2) 170.7G0.9 714.2G2.8 (1) 1991PRI/ARM
(3) 170.5G0.3 713.3G1.2 (3) 1995COP/DRO
Carbon disulfide (1) 104.5G0.5 437.1G2 (1) MS (1) 1979COP/REY

SaCS (2) 104.1G3 435.5G12.6 (2) MS (2) 1980MIL/ERE
(3) 105.0G0.9 439.2G3.8 (3) GIB MS (3) 1991PRI/ARM
DfH0 in ref.
Carbon oxysulfide (1) 72.9G0.2 305.1G1.0 (1) Derived from (1) 1996NIST
SaCO DfH0 in ref.
(2) 72.63 303.88 (2) Derived from (2) 2005BRO/RAK
data in exited
state
Thioformaldehyde 131.2 548.9 Derived from DfH0 1996NIST

SaCH2 in ref.
(Methylamino)methanethial 71 297 Review 1978BEN

SaCNCH3
Methylthio radical 70.2G0.3 293.8G1.4 PD 1999BIS/CHO(b)

CH3–S
Methanethiol (1) 75G1.5 313.8G6.3 (1) Review (1) 1978BEN

HS–CH3 (2) 74.7G1 312.5G4.2 (2) Fluorescence (2) 1992NIC/KRE
Ethene-1-thiol 83G3 347.3G12.6 Review 1978BEN

HS–C2H3
Ethanethiol 73.6G0.5 307.9G2.1 Derived from DfH0 1986PED/NAY

HS–C2H5 in ref.
1-Propanethiol 74.2G0.7 310.5G2.9 Derived from DfH0 1986PED/NAY

HS–nC3H7 in ref.
2-Propanethiol 73.4G0.9 307.1G3.8 Derived from DfH0 1986PED/NAY

HS–iso-C3H7 in ref.
1-Butanethiol 73.9G0.7 309.2G2.9 Derived from DfH0 1986PED/NAY

HS–nC4H9 in ref.
2-Butanethiol 73.5G0.7 307.5G2.9 Derived from DfH0 1986PED/NAY

HS–sec-C4H9 in ref.
2-Methyl-1-propanethiol 74.1G1.1 310.0G4.6 Derived from DfH0 1986PED/NAY

HS–iso-C4H9 in ref.
2-Methyl-2-propanethiol 72.0G0.9 301.2G3.8 Derived from DfH0 1986PED/NAY

HS–tert-C4H9 in ref.
1-Pentanethiol 73.5G1.5 307.5G6.3 Derived from DfH0 2002CRC

HS–nC5H11 in ref.
2-Methyl-2-butanethiol 71.6G1.5 299.6G6.3 Derived from DfH0 1986PED/NAY

HS–C(CH3)2(C2H5) in ref.
2,2-Dimethyl-1-propanethiol 73.7G2.0 308.4G8.4 Derived from DfH0 1986PED/NAY

HS–neo-C5H11 in ref.
1-Hexanethiol 73.2G1.5 306.3G6.3 Derived from DfH0 2002CRC

HS–nC6H13 in ref.
Cyclo-pentanethiol 71.0G1.2 297.1G5.0 Derived from DfH0 1986PED/NAY

HS–cyclo-C5H9 in ref.
(continued)
Table 8.3 (continued) S–C BDEs
BDEs (boldfaceZ
recommended data;
Cyclo-hexanethiol 72.9G1.4 305.0G5.9 Derived from DfH0 1986PED/NAY

HS–cyclo-C6H11 in ref.
Benzenethiol 86.2G1.5 360.7G6.3 Derived from DfH0 1996NIST

HS–C6H5 in ref.
Benzenemethanethiol 61.7G1.5 258.2G6.3 Derived from DfH0 1986PED/NAY

HS–CH2C6H5 in ref.
Methanethioic S-acid 74G2 309.6G8.4 Review 1978BEN

HS–C(O)H
Ethanethioic S-acid 73.6G1.5 307.9G6.3 Derived from DfH0 2002CRC

HS–C(O)CH3 in ref.
Dimethyl sulphide (1) 77.2G2 323.0G8.4 (1) Pyrolysis (1) 1977COL/BEN

CH3S–CH3 (2) 74.9G1.5 313.4G6.3 (2) PD (2) 1991NOU/NOR
(3) 73.6G0.8 307.9G3.3 (3) Fluorescence (3) 1992NIC/KRE
Iodomethyl methyl sulfide 78.3G2.2 327.6G9.2 Derived from DfH0 1996NIST

CH3S–CH2I in ref.
Ethyl methyl sulphide 72.4G1 302.9G4.2 Derived from DfH0 1986PED/NAY

CH3S–C2H5 in ref.
Ethyl methyl sulphide 73.4G1.5 307.1G6.3 Derived from DfH0 1986PED/NAY

C2H5S–CH3 in ref.
Methyl propyl sulphide 73.3G1.5 306.7G6.5 Derived from DfH0 1986PED/NAY

CH3S–C3H7 in ref.
Methyl propyl sulphide 73.9G1.5 309.2G6.3 Derived from DfH0 1986PED/NAY

C3H7S–CH3 in ref.
Iso-propyl methyl sulphide 72.4G1.5 302.9G6.3 Derived from DfH0 1986PED/NAY

CH3S–iso-C3H7 in ref.
Butyl methyl sulphide 72.8G1.5 304.6G6.3 Derived from DfH0 1986PED/NAY

CH3S–C4H9 in ref.
tert-Butyl methyl sulphide 70.4G1.5 294.6G6.3 Derived from DfH0 1986PED/NAY

CH3S–tert-C4H9 in ref.
Ethyl propyl sulfide 72.9G1.5 305.0G6.3 Derived from DfH0 2002CRC

C2H5S–C3H7 in ref.
Ethyl propyl sulfide 72.5G1.5 303.3G6.3 Derived from DfH0 2002CRC

Ethyl iso-propyl sulfide 73.4G1.5 307.1G6.3 Derived from DfH0 2002CRC

C2H5S–iso-C3H7 in ref.
Cyclo-pentyl methyl 70.6G1.5 295.4G6.3 Derived from DfH0 1986PED/NAY

sulphide in ref.
CH3S–cyclo-C5H9
Methyl pentyl sulphide 71.9G1.5 300.8G6.3 Derived from DfH0 1986PED/NAY

CH3S–C5H11 in ref.
Diethyl sulphide 72.5G1.5 303.3G6.3 Derived from DfH0 1986PED/NAY

Ethyl butyl sulphide 73.0G1.5 305.4G6.3 Derived from DfH0 1986PED/NAY

C2H5S–nC4H9 in ref.
tert-Butyl ethyl sulphide 71.1G1.5 297.5G6.3 Derived from DfH0 1986PED/NAY

C2H5S–tert-C4H9 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
Dipropyl sulphide 72.8G1.5 304.6G6.3 Derived from DfH0 1986PED/NAY

Methyl phenyl sulphide 85.4G1.5 357.3G6.3 Derived from DfH0 1986PED/NAY

CH3S–C6H5 in ref.
Methyl phenyl sulphide (1) 69.4G2 290.4G8.4 (1) VLPP (1) 1977COL/BEN
C6H5S–CH3 (2) 66.5G2.5 278.2G10.5 (2) Derived from (2) 1994PED
DfH0 in ref.
Ethyl phenyl sulphide 84.6G2 354.0G8.4 Derived from DfH0 1986PED/NAY

Ethyl phenyl sulphide 64.5G1.5 269.9G6.3 Derived from DfH0 1994PED

C2H5–SC6H5 in ref.
Benzyl methyl sulphide (1) 61.4G2 256.9G8.4 (1) VLPP (1) 1977COL/BEN
CH3S–CH2Ph (2) 60.5G1 253.1G4.2 (2) Derived from (2) 1994PED
DfH0 in ref.
Diphenyl sulphide (1) 78.3G2.5 327.6G10.5 (1) Derived from (1) 1986PED/NAY
C6H5S–C6H5 DfH0 in ref.
(2) 76G2 318G8.4 (2) AOP (2) 1991BAU/FAS
Benzyl phenyl sulfide 54G2 225.9G8.4 AOP 1991BAU/FAS

C6H5S–CH2C6H5
Benzophenone derivative
C6H5S–CH2C6H4C(O)R
RZC6H5 (1) 52.7 220.5 Photolysis (1) 2005YAM/ION
C6H4C6H5 (2) 54.7 228.9 (2) 2006YAM/ION
9-Phenylthio
methylanthracene
CH2 47G2 196.6G8.4 AOP 1991BAU/FAS
10-Phenylthio-9-methyl-
anthracene
75G2 313.8G8.4 AOP 1991BAU/FAS
Tropylium thiophenoxides,
substituted
Y S
YZH 24.6G0.2 102.9G0.8 AOP 1992VEN/AMA

Cl 24.0G0.3 100.4G1.3
Br 25.7G0.3 107.5G1.3
Me 23.7G0.3 99.2G1.3
MeO 23.5G0.3 98.3G1.3
NO2 27.0G0.3 113.0G1.3
Methyl hydrodisulfide 57G1.5 238.5G6.3 Review 1978BEN

CH3–SSH
Dimethyl disulphide (1) 56.6 236.8 (1) AE (1) 1986HAW/GRI

CH3–SSCH3 (2) 57.4G1.5 240.2G6.3 (2) PD (2) 1990NOU/LIA
Ethyl methyl disulphide 56.2 235.1 AE 1986HAW/GRI

C2H5–SSCH3
Iso-propyl methyl disulphide 54.5 228.0 AE 1986HAW/GRI

iso-C3H7–SSCH3
Methyl tert-butyl disulphide 52.6 220.1 AE 1986HAW/GRI

tert-C4H9–SSCH3
(continued)
BDEs (boldfaceZ
recommended data;
Alkyl ethyl disulfide 54G1.5 225.9G6.3 Review 1978BEN

C2H5–SSR
Alkyl phenyl disulfide 69.5G1.5 290.8G6.5 Review 1978BEN

Ph–SSR
Alkyl ethyl polysulfide 54G1.5 225.9G6.3 Review 1978BEN

R–SnEt
Methanesulfenic acid 68.1G3 284.9G12.6 Derived from DfH0 1996HUN/SHE

HOS–CH3 in ref.
Dimethyl sulfoxide (1) 53G2 at 0 K 221.8G8.4 (1) Photolysis (1) 1973GOL/STR

CH3SO–CH3 (2) 55.1G2.4 230.5G10 (2) Derived from (2) 1996NIST
DfH0(CH3SO)ZK16G2.4 DfH0 in ref.
(K67G10)
Methanesulfonic acid 77.5G3 324.3G12.6 Derived from DfH0 2000GUT/GAL

HOSO2–CH3 in ref.
Dimethyl sulphone 66.8 279.5 Iodination 1971SOL/BEN

CH3SO2–CH3
DfH0(CH3SO2)ZK57.2
(K239.3)
Methyl sulphone radical (1) 21.4 89.5 (1) Derived from (1) 1971SOL/BEN
O2S–CH3 DfH0 in ref.
(2) 14.94G0.92 62.51G3.85 (2) Radiolysis (2) 1976HOR
–c-C6H11 (2) 11.91G0.82 49.83G3.43
Ethyl methyl sulphone 68.9G2 288.3G8.4 Derived from DfH0 1986PED/NAY

CH3SO2–C2H5 in ref.
Iso-propyl methyl sulphone 67.5G2 282.4G8.4 Derived from DfH0 1986PED/NAY

CH3SO2–iso-C3H7 in ref.
Allyl methyl sulphone 55G2.5 230.1G10.5 Derived from DfH0 1986PED/NAY

H3CSO2–C3H5 in ref.
Butyl methyl sulphone 71.3G2 298.3G8.4 Derived from DfH0 1986PED/NAY

H3CSO2–nC4H9 in ref.
Methyl tert-butyl sulphone 67.6G2 282.8G8.4 Derived from DfH0 1986PED/NAY

H3CSO2–tert-C4H9 in ref.
Methyl phenol sulphone 82.3G2 344.3G8.4 Derived from DfH0 1986PED/NAY

H3CSO2–C6H5 in ref.
Benzyl methyl sulphone 57.5G2 240.6G8.4 Derived from DfH0 1986PED/NAY

CH3SO2–CH2Ph in ref.
Methylthiocarbonitrile 97G2 405.8G8.4 Derived from DfH0 1986PED/NAY

CH3S–CN in ref.
Methylthiocarbonitrile 68.5 286.6 Derived from DfH0 1978BEN

CH3–SCbN in ref.
Methanisothiocyanate 71 297 Review 1978BEN

CH3NCaS
S-Ethyl thioacetate 76.2G2 318.8G8.4 Derived from DfH0 2002CRC

C2H5S–C(O)CH3 in ref.
S-Propyl thioacetate 76.5G2 320.1G8.4 Derived from DfH0 1994PED

C3H7S–C(O)CH3 in ref.
Pentafluorosulfur (1) 88.8G5 371.5G21 (1) Derived from (1) 1996NIST

trifluoromethane DfH0 in ref.
F5S–CF3 (2) 93.7G10.3 392G43 (2) PES (2) 2001CHI/KEN
(continued)
BDEs (boldfaceZ
recommended data;
Mercaptomethyl radical 91.4G2.0 382.4G8.4 Derived This volume

H2C–SH
Methanedisulfur radical 49.4 206.7 Derived from DfH0 1986HOW/GRI

CH3–SS in ref.
Ethanedisulfur radicals 48.7 203.8 Derived from DfH0 1986HOW/GRI

C2H5–SS in ref.
Propane-2-disulfur radical 48.4 202.5 Derived from DfH0 1986HOW/GRI

iso-C3H7–SS in ref.
2-Methylpropane-2-disulfur 46.9 196.2 Derived from DfH0 1986HOW/GRI

radical in ref.
tert-C4H9–SS
Benzendisulfur radicals 60G2 251.0G8.4 Review 1978BEN

C6H5–SS
CH3–SC%H2 30.7G2.5 128.4G10.5 Derived from DfH0 1996NIST

in ref.
C6H5–SC%H2 43.0G4 179.9G16.7

8.4 S–halogen bonds

Table 8.4 S–Halogen BDEs
BDEs (boldfaceZ
recommended data;
atom) kcal/mol kJ/mol parentheses) References
Sulfur hexafluoride (1) 91.1G3.2 381.2G13.3 (1) CL (1) 1980KIA/ZAR

F–SF5 (2) 92.2 385.8 (2) FT-HP MS (2) 1990SIE/AUS
(3) 100.4G2.4 420G10 (3) SPST (3) 1992TSA/HER(b)
(4) 92.5 at 0 K 386.9 (4) MS (4) 1998MIL/NEG
(5) 93.6 391.6 (5) Derived from (5) 1998CHA
DfH0 in ref.
Sulfur hexafluoride %42.5G2.9 %178G12 CID 2003LOB/CHE

anion
F–SFK5
Sulfur pentafluoride (1) 53.1G6.0 222.2G25.1 (1) CL (1) 1980KIA/ZAR

F–SF4 (2) 53.7 224.7 (2) Derived from (2) 1998CHA
DfH0 in ref.
Sulfur pentafluoride (1) 43.8 183.3 (1) ICR (1) 1985LAR/MCM

anion (2) 54.9G2.3 230G10 (2) CID (2) 2003LOB/CHE
SF4–FK
Sulfur tetrafluoride (1) 84.1G3.0 351.9G12.6 (1) CL (1) 1980KIA/ZAR

F–SF3 (2) 86.0G7.8 360G33 (2) Ion reactions (2) 1995MIL/MIL
(3) 81.1 339.3 (3) Derived from (3) 1998CHA
DfH0 in ref.
Sulfur trifluoride (1) 63.1G7.1 264G30 (1) CL (1) 1980KIA/ZAR

F–SF2 (2) 68.4 286.2 (2) Derived from (2) 1998CHA
DfH0 in ref.
Sulfur difluoride (1) 91.7G4.3 383.7G18.0 (1) CL (1) 1980KIA/ZAR

F–SF (2) 93.0 389.1 (2) Derived from (2) 1998CHA
DfH0 in ref.
(continued)
Table 8.4 (continued) S–Halogen BDEs
BDEs (boldfaceZ
recommended data;
Sulfur fluoride 82.1G1.6 343.5G6.7 CL 1980KIA/ZAR

F–S
Mercapto fluoride 54.8 229.5 Derived from 2005HOW/MAY

HS–F DfH0 in ref.
Sulfur fluochloride 63.1 263.8 Derived from 2005HOW/MAY

ClS–F DfH0 in ref.
Trimethyl sulfur !78.4 !328.0 Derived 2002SAI/DRE

pentafluoride
CF3SF4–F
Trimethyl sulfur !87.6G2.3 !366.6G9.6 Derived 2002SAI/DRE

trifluoride
CF3SF2–F
Thionyl fluorides
F–SO 80.5 337 CL 1980KIA/ZAR
F–SO(F) 86.5 362
Sulfuryl fluorides (1) 16.1 67.5 (1) MS (1) 1958REE/DIB

F–SO2 (2) 65G5 272G21 (2) Derived (2) 1978TAK
(3) 54.7 229 (3) CL (3) 1980KIA/ZAR(b)
F–SO2(F) (1) 156.8 656.1
(2) 81G2 338.9G8
(3) 90.6 379
Thiazyl fluorides
F–S(F)xN
xZ0 91G6 380.7G25 Derived 1973LAR/JOH
1 36G7 150.6G19
2 76G7 318G19
F–SClO2 84G10 351G42 Derived 1978TAK

Sulfur dichlorides
Cl–S (1) 67.5 282.6 (1) MS (1) 1981KAU/VAH
(2) 57.8 241.8 (2) Derived from (2) 1998CHA
DfH0 in ref.
Cl–SCl (1) 66.6 278.8
(2) %44.7 %187
(3) 53G4 221.8G17 (3) Derived (3) 1978TAK
(4) 70.6 295.4 (4) Spectrometry (4) 1979KOL/VEL
Sulfur fluochloride 38.8 162.3 Derived from 2005HOW/MAY

Cl–SF DfH0 in ref.
Sulfur tetrafluoro OK1G5 OK4G21 Derived from 2005HOW/MAY

chloride DfH0 in ref.
Cl–SF4
Sulfur pentafluoro !65 !272 IR CL 1980MAL/SET

chloride
Cl–SF5
Chloromethylthio 70G3 292.9G12.6 Review 1978BEN

Cl–SCH3
Chlorophenylthio 31G2.5 129.7G10.5 Review 1978BEN

Cl–SC6H5
Dichlorodifulfide (1) 51G2 213.4G8.4 (1) Review (1) 1978BEN

Cl–SSCl (2) 53G1 221.8G4 (2) Derived (2) 1978TAK
(3) %46.2 %193 (3) Spectrometry (3) 1979KOL/VEL
(4) 51.8G2 216.6G8.4 (4) Derived from (4) 1996NIST
DfH0 in ref.
Chlorodifulfide 42G3 175.7G12.6 Derived 1978TAK

Cl–SS
Thionyl chloride (1) 58G2 242.7G8 (1) Derived (1) 1978TAK

ClS(O)–Cl (2) %53.9 %226 (2) Spectrometry (2) 1979KOL/VEL
OS–Cl (1) 51G4 213.4G16.7
(continued)
Table 8.4 (continued) S–Halogen BDEs
BDEs (boldfaceZ
recommended data;
Sulfuryl chlorides (1) 24G4 100G16.7 (1) Derived (1) 1978TAK

O2S–Cl (2) %58.3 %244 (2) Spectrometry (2) 1979KOL/VEL
O2ClS–Cl 46G4 193G16.7 Derived 1978TAK

O2FS–Cl 43G10 180G42
Methyl hydrodifulfide 51G2.5 213.4G10.5 Review 1978BEN

Cl–SSCH3
Adduct 14G3 58.6G12.6 Fluorescence 1992STI/NIC

Cl–S(CH3)2 detect
Adduct 17.4G0.7 72.8G2.9 Fluorescence 2006NIC/PAR

Cl–S(O)(CH3)2 detect
Chloromethylsulfone (1) 70.3 294 PAC (1) 1994CHA/GRI

Cl–SO2CH3 (2) 70 293 (2) 1999LAA/MUL
Chloroethylsulfone 68.3 285.6 Correlation 2005DEN/TUM

Cl–SO2C2H5
Chloropropylsulfone 68.3 285.6 Correlation 2005DEN/TUM

Cl–SO2C2H5
Chlorophenylsulfone (1) 70.5 295 PAC (1) 1994CHA/GRI

Cl–SO2Ph (2) 71 297 (2) 1999LAA/MUL
Sulfur dibromide 62G4 259G17 Review 1978BEN

Br–SBr
Sulfur bromide 52G4 218G17 Review 1978BEN

Br–S
Sulfur pentafluoro !55 !230 IR CL 1980MAL/SET

bromide
Br–SF5
Dibromodifulfide 42G4 176G17 Review 1978BEN

Br–SSBr
Adduct (1) w14 w59 (1) Est. by exp. (1) 1992STI/NIC

Br–S(CH3)2 (2) 12.2G1 51G4 (2) Spectroscopy (2) 2001NAK/GOT
Iodothio 49.4G2 206.7G8.4 Kinetics 1979HWA/BEN(b)

I–SH
Iodomethylthio 49.3G1.7 206.3G7.1 VLPP 1983SHU/BEN

I–SCH3
8.5 S–P, S–As, and S–Sb bonds

Table 8.5 S–P, S–As, and S–Sb BDEs
BDEs (boldfaceZ
recommended data;
Trifluorophosphino-1-thione 100 418.4 Review 1973BEN

SaPF3
Trichlorophosphino-1-thione 68 284.5 Review 1973BEN

SaPCl3
(continued)
Table 8.5 (continued) S–P, S–As, and S–Sb BDEs
BDEs (boldfaceZ
recommended data;
Tribromophosphino-1-thione 94 393.3 Review 1973BEN

SaPBr3
Tricyclohexylphino-1-thione 98 410 Calorimetry 1998CAP/WIX

SaPCy3
Tributylhosphino-1-thione 96 402 Calorimetry 1998CAP/WIX

SaPBu3
Trimethylhosphino-1-thione 94 393 Calorimetry 1998CAP/WIX

SaPMe3
Dimethylphenylphosphino- 93 389 Calorimetry 1998CAP/WIX

1-thione
SaPMe2Ph
Methyldiphenylphosphino-1- 91 381 Calorimetry 1998CAP/WIX

thione
SaPMePh2
Triphenylphosphino-1-thione 88 368 Calorimetry 1998CAP/WIX

SaPPh3
Triphenylarsono-1-thione 70 293 Calorimetry 1998CAP/WIX

SaAsPh3
Triphenylantimono-1-thione 67 280 Calorimetry 1998CAP/WIX

SaSbPh3
(Also see Section 10.1)
8.6 Se–X bonds

Table 8.6 Se–X BDEs
BDEs (boldfaceZ
recommended data;
atom or group) kcal/mol kJ/mol parentheses) References
Selenium hydrides
Se(H)x–H
xZ0 (1) 75.16G0.23 314.47G0.96 (1) PI (1) 1986GIB/GRE
(2) 74.7 312.5 (2) Est. by exp. (2) 2004HIR/YAN
1 (1) 79.88G0.18 334.22G0.75
Selenophenol (1) 78G4 326.4G16.7 (1) ICR (1) 1996LEE/LI

C6H5Se–H (2) 72G3 301G13 (2) Derived (2) 2005MCD/WEI
Selenium dimer (1) 72.1G2 301.7G8 MS (1) 1966BER/CHU

Se–Se (2) 74.5G2.0 311.7G8.4 (2) 1968COL/DRO
(3) 79.5G0.1 332.6G0.4 (3) 1969UY/DRO
(4) 79.0 330.5 (4) 1977DRO/SMO
(5) 67.8 283.5 (5) 1996SMI/YAT
Diphenyl diselenide (1) 66.9G4.5 280G19 Calorimetry (1) 1980MOR/WAT

PhSe–SePh (2) 41G3 171.5G12.6 (2) 2005MCD/WEI
Selenium fluoride (1) 80.7G4.6 337.7G19.3 (1) MS (1) 1970OHA/WAH

Se–F (2) 81G10 339G42 (2) Review (2) 1974GUR/KAR
Se(F)x–F
xZ4 64.6G4.6 270.2G19.3 Collision 1978COM/REI
5 72.6G4.6 303.9G19.3 ionization
Selenium chloride 77 322 Review 1974GUR/KAR

Se–Cl
Selenium bromide 71G20 297G84 Review 1974GUR/KAR

Se–Br
(continued)
Table 8.6 (continued) Se–X BDEs
BDEs (boldfaceZ
recommended data;
Selenium monoxide (1) 112G5 469G21 (1) Review (1) 1983PED/MAR

Se–O (2) 102.7G1.5 429.7G6.3 (2) MS (2) 1984SMO/DRO
Selenium monosulfide (1) 88.7G1.6 371.1G6.7 MS (1) 1977DRO/SMO

Se–S (2) 90.0G1 376.4G4 (2) 1983GRA/WIE
Tellunium mono (1) 70.1 293.3 MS (1) 1977DRO/SMO

selenide (2) 69.7G1 291.5G4 (2) 1983GRA/WIE
Se–Te
Selenium mononitride 90G15 377G63 Derived 1974GUR/KAR

Se–N
Selenium phosphide 86.9G2.4 363.7G10.0 MS 1973DRO/MYE

Se–P
SeaPBu3 75 314 Calorimetry 1998CAP/WIX
SeaPCy3 75 314 Calorimetry 1998CAP/WIX
SeaPh3 67 280 Calorimetry 1998CAP/WIX
Selenium monocarbide 141.1G1.4 590.4G5.9 MS 1977SMO/DRO

Se–C
Silicon selenides
Si(Se)x–Se
xZ0 128.6G3.1 538G13 Review 1994TOM/SUS
1 75.5G4.3 316G18
8.7 Te–X bonds

Table 8.7 Te–X BDEs
BDEs (boldfaceZ
recommended data;
Tellurium hydrides
Te(H)x–H
xZ0 (1) 62.1G1.6 259.8G6.7 (1) FT-ICR (1) 1989GAL/MAR
(2) 64.7G0.4 270.7G1.7 (2) UV Spectra (2) 2005UND/CHA
1 (2) 65.0G0.1 272.0G0.4
(4) 65.0G0.1 272.0G0.4 (4) LMR (4) 1994GIL/TOW
Tellurohenol %63 %264 Derived 2005MCD/WEI

PhTe–H
Tellunium dimer (1) 55.9G2.0 233.9G8.4 MS (1) 1868COL/DRO

Te–Te (2) 62.3G0.2 260.7G0.8 (2) 1969UY/DRO
(3) 61.6G1 257.6G4.1 (3) 1994VIS/BAB
Diphenyl ditelluride 33G3 138.1G12.6 Calorimetry 2005MCD/WEI

PhTe–TePh
Tellunium iodide 46G10 192G42 Review 1974GUR/KAR

Te–I
Tellunium monoxide 90G5 377G21 Review 1983PED/MAR

Te–O
Tellunium monosulfide 80G10 335G42 Review 1974GUR/KAR

Te–S
Tellunium (1) 70.1 293.3 MS (1) 1977DRO/SMO

monotelluride (2) 69.7G1 291.5G4 (2) 1983GRA/WIE
Te–Se
(continued)
Table 8.7 (continued) Te–X BDEs
BDEs (boldfaceZ
recommended data;
Tellurium phosphide 71.2G2.4 297.9G10.0 MS 1973DRO/MYE

Te–P
TeaPBu3 52 218 Calorimetry 1998CAP/WIX
Tellunium (1) 60.9 254.8 MS (1) 1960POR/SPE

monoantimonide (2) 66.3G0.9 277.4G3.8 (2) 1974SUL/ZEH
Te–Sb
8.8 Po–X bonds

Table 8.8 Po–X BDEs
BDEs (boldfaceZ
recommended data;
Polonium dimmer 44.7 187 Spectroscopy 1979HUB/HER

Po–Po
Note: (1) The data of S–O bonds see the O–S bonds in Chapter 6. (2) The data of S–N bonds see the N–S bonds in
Chapter 7. (3) The BDEs in the clusters and complexes of C-, Si-, Ge-, Sn-, and Pb-ions are listed in Chapter 24. (4)
The BDEs in the clusters and complexes of N-, P-, As-, Sb-, and Bi-ions are listed in Chapter 25. (5) The BDEs in the
chapter nine
BDEs of Si–, Ge–, Sn–, and Pb–X bonds
9.1 Si–X BDEs

Table 9.1 Si–X BDEs
The broken bonds BDEs (boldfaceZ

(boldfaceZdissociated recommended data;
atom or group), reference in parentheses) Methods
DfH0(R), kcal/mol (reference in
Silane (1) 90.3G1.2 377.8G5.0 (1) Iodination (1) 1981DON/WAL

SiH3–H (2) 91.8G0.5 384.1G2.1 (2) PIMS detect. (2) 1991SEE/FEN
(200.4G2.5) (4) 91.5G2 382.8G8.4 (4) Review (4) 1995CHA
(5) 91.8G0.5 384G2 (5) Review (5) 1998BEC/WAL
Silicon radicals
SiH2–H (1) 71.0G2 297G8 (1) Review (1) 1998BEC/WAL
SiH–H (1) 76.7 321
Si–H (1) 69.8 292
(2) 71.0G0.5 297.1G1.9 (2) Re-anal. (2) 2004HIR/YAN
Si–D (3) 72.3 302.5 (3) Spectroscopy (3) 1979HUB/HER
Methyl silane (1) 89.6G2 374.9G8.4 (1) Iodination (1) 1989WAL

MeSiH2–H (2) 92.3G3 386.2G12.6 (2) Review (2) 1995CHA
DfH0(R)Z33.7G1.5 (3) 92.7G1.2 388G5 (3) Revised (3) 1998BEC/WAL
(141G6)
Dimethylsilane (1) 89.4G2 374.0G8.4 (1) Iodination (1) 1989WAL

Me2SiH–H (2) 93.5G1.2 391G5 (2) Revised (2) 1998BEC/WAL
(continued)
455
Table 9.1 (continued) Si–X BDEs

DfH0(R)Z18.6G1.5 (3) 93.7 392 (3) GPA (3) 2004CHA

(78G6)
Trimethylsilane Me3Si–H (1) 95.0G0.5 397.5G2.1 (1) FP (1) 1994KAL/GUT

DfH0(R)Z3.5G0.5 (2) 92.0 385 (2) VLPP (2) 1994BUL/WAL
(14.8G2.0) (3) 94.6G1.7 396G7 (3) Revised (3) 1998BEC/WAL
(4) 95.0 397.4 (4) GPA (4) 2004CHA
(5) 94.7G1.0 396.2G4.2 (5) Derived (5) 2006DAV/BAE
Me3Si–D (6) 93.0 389.1 (6) Kinetics (6) 1981ELL/POT
Disilane (1) 86.3G2 361.1G8.4 (1) Iodination (1) 1989WAL

H5Si2–H (2) 89.1G2 373G8 (2) Revised (2) 1998BEC/WAL
DfH0(R)Z55.9G2
(234G8)
3-Ethyl-silapentane (1) 90.1 377.0 (1) PAC (1) 1987KAM/HAW

(C2H5)3Si–H (2) 95.1 397.9 (2) Review (2) 1995CHA
(3) 96.0 401.7 (3) PAC, revised (3) 1999LAA/MUL
(4) 94.6G1 396G4 (4) Review (4) 1998BEC/WAL
1,1,2,2-Tetramethyl disilane 90.3 378 GPA 2004CHA

(CH3)2SiH(CH3)2Si–H
Pentamethyl disilane (1) 85.3G2 356.9G8.4 (1) PAC (1) 1987KAM/HAW

(CH3)3Si(CH3)2Si–H (2) 90.3 377.8 (2) Review (2) 1995CHA
(4) 89.9G1 376G4 (4) Review (4) 1998BEC/WAL
3(1,1-Dimethyl-1- (1) 79.0 330.5 (1) PAC (1) 1987KAM/HAW

silaethyl)-2,2,4,4,- (2) 83.9 351.0 (2) Review (2) 1995CHA
tetramethyl-2,3,4- (3) 84 351.5 (3) PAC, revised (3) 1999LAA/MUL
BDEs of Si–, Ge–, Sn–, and Pb–X Bonds 457
trisilapentane (4) 83.7G1 350G4 (4) Review (4) 1998BEC/WAL

((CH3)3Si)3Si–H
2,2,3,4,4-Pentamethyl-3- 89.1 372.8 Correlation 1998DEN

silapentane
(tert-Bu)2MeSi–H
3-(tert-Butyl)-2,2,4,4- 86.6 362.3 Correlation 1998DEN

tetramethyl-3-
silapentane
(tert-Bu)3Si–H
1-Phenyl-silaethane (1) 88.2G1.2 369.0G5 (1) Iodination (1) 1989WAL

C6H5SiH2–H (2) 90.1 377.0 (2) Review (2) 1995CHA
DfH0(R)Z62.1 (260) (2) 91.3G1.2 382G5 (3) Revised (3) 1998BEC/WAL
Trimethylthio (1) 82.5 345.2 (1) PAC (1) 1992CHA/GUE

silamethane (2) 87.4 365.7 (2) Review (2) 1995CHA
(CH3S)3Si–H (3) 87.0 364.0 (3) PAC, revised (3) 1999LAA/MUL
Triisopropyl (1) 85.6 358.2 (1) PAC (1) 1991CLA/GRI

thiosilamethane (2) 90.0 376.6 (2) PAC, revised (2) 1999LAA/MUL
(iso-PrS)3Si–H
Phenyl methyl
silamethane,
substituted
R1R2MeSi–H
R1ZPh R2ZH (1) 91.3G3.1 382.0G13 (1) ICR (1) 1989WET/SAL
Ph F (2) 92.1 385.4 (2) Correlation (2) 1998DEN
Ph Cl (2) 90.0 376.6
(3) 92.2 385.8
Ph C6F5 (2) 89.7 375.5
(3) 91.9 384.7
Ph Ph3Si (2) 83.1 347.7
(3) 85.3 356.9
Ph tBuCH2 (2) 87.5 366.2
(3) 89.7 375.4
(continued)

Me 3-CF3- (2) 87.1 364.2

C6H4 (3) 89.2 373.4
1-Np C6H5 (2) 87.2 365.0
(3) 89.4 374.2
1-Np 3-F- (2) 88.2 369.2
C6H4 (3) 90.4 378.4
1-Np 3-MeO- (2) 87.5 366.2
C6H4 (3) 88.8 371.6
1-Np 3-CF3- (2) 88.3 369.6
C6H4 (3) 90.8 379.9
1-Np 3-Me- (2) 86.9 363.6
C6H4 (3) 89.1 372.8
1-Np 4-CF3- (2) 88.6 370.7
C6H4 (3) 90.5 378.8
1-Np 4-MeO- (2) 86.6 362.4
C6H4 (3) 89.7 375.4
Methyl phenyl (1) 91.3G2.9 382G12 (1) GPA (1) 2004CHA

silamethane (2) 89.7G2.3 375.3G9.6 (2) Derived (2) 2005FAT/KAS
PhMeSiH–H
Dimethyl phenyl (1) 84.6 354.0 (1) PAC (1) 1990DIA/DIO

silamethane (2) 88.7 371.0 (2) Correlation (2) 1998DEN
PhMe2Si–H (3) 90.1G1.7 377G7 (3) Review (3) 1998BEC/WAL
Diphenyl silamethane (1) 86.0 359.8 (1) PAC (1) 1990DIA/DIO

Ph2SiH–H (2) 87.7 366.8 (2) Correlation (2) 1998DEN
(3) 90.6G1.7 379G7 (3) Review (3) 1998BEC/WAL
Diphenyl methyl (1) 81.7 341.8 (1) PAC (1) 1990DIA/DIO

silamethane (2) 87.5 366.2 (2) Correlation (2) 1998DEN
Ph2MeSi–H (3) 86.3G2.4 361G10 (3) Review (3) 1998BEC/WAL
Triphenyl
silamethane,
substituted
R3Si–H (1) 84.1 351.9 (1) PAC (1) 1990DIA/DIO
RZC6H5 (2) 86.4 361.8 (2) Correlation (2) 1998DEN
(3) 88.7G0.5 371G2 (3) Review (3) 1998BEC/WAL
3-CF3-C6H4 (2) 89.3 373.6
Trifluorosilane (1) 100.1G1.2 418.8G5 (1) Iodination (1) 1989WAL

SiF3–H (2) 103.2G1.2 432G5 (2) Revised (2) 1998BEC/WAL
DfH0(R)ZK235.9G4.8
(K987G20)
Trichlorosilane (1) 91.3G1.2 382.0G5 (1) Iodination (1) 1989WAL

SiCl3–H (2) 94.4G1.2 395G5 (2) Revised (2) 1998BEC/WAL
DfH0(R)ZK77G2
(K322G8)
Tribromosilane 79.8G2 334G8 Derived from 2002CRC

SiBr3–H DfH0 in ref.
Silicon clusters
Si(Si)x–Si
xZ0 (1) 74.1 310 (1) Derived from (1) 1998CHA
DfH0 in ref.
1 (1) 96.6 404
2 (2) 105.2 440 (2) Derived (2) 1997GIN/VIS
Disilane (1) %82.7, 0K %346 Derived (1) 1991RUS/BER(c)

SiH3–SiH3 (2) 76.7G1 321G4 (2) 1998BEC/WAL
Disilene (1) 63.3G1.2 264.8G5.0 Derived (1) 1991RUS/BER(c)

SiH2aSiH2 (2) 27.0G2 113G8 (2) 1998BEC/WAL
Trisilane 74.8G2 313G8 Derived 1998BEC/WAL

SiH3–Si2H5
(continued)

Tetrasilane 73.1 306 Derived 1998BEC/WAL

H5Si2–Si2H5
Hexamethyl disialne (1) 69.1 289.1 (1) Derived (1) 1971LAP/PED

Me3Si–SiMe3 (2) 80.5 336.8 (2) Pyrolysis (2) 1975DAV/HOW
(3) 79.3G2.9 332G12 (3) VLPP (3) 1994BUL/WAL
Hexaphenyl disilane 88.0 368.2 Derived 1981WAL

Ph3Si–SiPh3
Disilicon 108.3G6 453.1G25 Derived from 2001LYM/NOD

hexafluoride DfH0 in ref.
F3Si–SiF3
Si–Si2N 69.6G4.1 291G17 Derived from 1997BAB/VIS

DfH0 in ref.
Silicon carbides
Si(Si)x–C
xZ0 106.8 447 Derived from 1998CHA
1 110.2 461 DfH0 in ref.
Methyl silane 89.6G1.2 375G5 Derived 1998BEC/WAL

SiH3–CH3
2-Silapropane 90.1G1.7 377G7 Derived 1998BEC/WAL

MeSiH2–CH3
Trimethylsilane 92.5G1.7 387G7 Derived 1998BEC/WAL

Me2SiH–CH3
Tetramethylsilane (1) 74.4 311.3 (1) Derived (1) 1971LAP/PED

Me3Si–CH3 (2) 91.6 383 (2) VLPP (2) 1994BUL/WAL
(3) 94.2G2 394G8 (3) Derived (3) 1998BEC/WAL
Trifluoromethyl silane 85 355.6 Derived 1990ALL/MCM

F3Si–CH3
Methyl silane-1,1,1-triol 103.5 433 Derived 2003BRA/NES

(OH)3Si–CH3
Trimethyl sec-butylsilane 99 414.2 Pyrolysis 1980DAV/WOO

Me3Si-sec-Bu
Trimethyl allylsilane 70 292.9 Pyrolysis 1980DAV/WOO

Me3Si–C3H5
Phenyl silane-1,1,1-triol 126.9 531 Derived 2003BRA/NES

(OH)3Si–C6H5
2-Silaeth-1-ene 34.9G1 146G4 Review 1998BEC/WAL

SiH2aCH2
2-Silapro-1-ene 36.8G2.9 154G12 Review 1998BEC/WAL

MeHSiaCH2
2-Methyl-2-silapro-1-ene (1) 39G6 163G25 (1) ICR (1) 1990ALL/MCM

Me2SiaCH2 (2) 38.5G2.9 161G12 (2) Review (2) 1998BEC/WAL
Difluoro-2-silaeth-1-ene 50G5 209G21 ICR 1990ALL/MCM

SiF2aCH2
(continued)

Fluoro-2-silapro-1-ene 45G5 188G21 ICR 1990ALL/MCM

MeFSiaCH2
Silicon oxide
Si(O)x–O
xZ0 (1) 191.1G3.2 799.6G13.4 (1) Derived from (1) 1996NIST
DfH0 in ref.
1 (1) 108.6 454.2
3-Oxa-disilapropane 131.0 548.1 Derived 2001SCH/BER

H3Si–OSiH3
2-Methyl-2-silapropan-2- 132.6G2.0 555G8 Derived 1998BEC/WAL

ol Me3Si–OH
Silane-1,1,1,1-tetraol 144.4 604 Derived 2003BRA/NES

(OH)3Si–OH
1-Methyl-1,1-dimethyl-1- 122.6G2.6 513G11 Derived 1998BEC/WAL

silaethane
Me3Si–OMe
1-Ethoxy-1,1-dimethyl-1- 122.4G2.6 512G11 Derived 1998BEC/WAL

silaethane
Me3Si–OEt
2,2,6,6-Tetramethyl-4- 136 569 Derived 1998BEC/WAL

oxa-3,5-disilapentane
Me3Si–OSiMe3
Silaforaldehyde 61.2G6 256G25 Review 1998BEC/WAL

SiH2aO
Silaketene 21.3 89 Kinetics 2001BEC/CAN

H2SiaCO
Silicon nitride (1) 104.7 437.9 (1) Review (1) 1968GAY

Si–N (2) 101.9G3.7 426.4G15.4 (2) Spectroscopy (2) 1989RAJ
(3) 104.7–111.1 438–465 (3) Mol. bean (3) 1993NAU/COS
Nitrososilane
H3Si–NO 37.8G1.4 158.2G5.7 Laser photolysis, 1997KRA/KAL
D3Si–NO 38.4G1.4 160.8G5.7 MS detect.
Nitroso trimethylsilane 44.8G1.0 187.4G4.2 Laser photolysis, 1995KRA/NII

Me3Si–NO MS detect.
(1,1-Dimethyl-1- 98.5G2 412G8 Derived 1998BEC/WAL

silaethyl)-methylamine
Me3Si–NHMe
(1,1-Dimethyl-1-silaethyl)- 97.5G2 408G8 Derived 1998BEC/WAL

dimethylamine
Me3Si–NMe2
Tri(1,1-dimethyl-1- 108.7 455 Derived 1998BEC/WAL

silaethyl)-amine
Me3Si–N(SiMe3)2
Si2N–Si 68.6 287 Derived 1997GIN/VIS
Si3–N 141.7 593 Derived 1997GIN/VIS
Fluorosilane 152.5G1.2 638G5 Derived 1998BEC/WAL

SiH3–F
(continued)

Trimethyl fluorosilane 159.9G4.8 669G20 Derived 1989WAL

Me3Si–F
Tetrafluorosilane
SiF3–F (1) 166.6G1.5 697G6 Derived (1) 1998BEC/WAL
SiF2–F (2) 102.4G4 428G17 (2) This volume
SiF–F (2) 160.3G4 670.6G17
Si–F (2) 137.8G4 576.4G17
OSi–F 31.3 131 Derived 2001HIL/LAU

OFSi–F 36.1 151
Fluorosilane-1,1,1-triol 166.1 695 Derived 2003BRA/NES

(OH)3Si–F
Chlorosilane 109.5G1.7 458G7 Derived 1998BEC/WAL

SiH3–Cl
Trimethyl chlorosilane (1) 112.8G2.0 472G8 Derived (1) 1989WAL

Me3Si–Cl (2) 117.1G0.8 490.1G3.2 (2) 2006DAV/BAE
Tetrachlorosilane
SiCl3–Cl (1) 110.4G2.2 462G9 Derived (1) 1998BEC/WAL
(2) 111.3G1.0 465.7G4.2 (2) 2003HIL/LAU
SiCl2–Cl (2) 67.0G1.0 280.3G4.2
SiCl–Cl (2) 104.0G1.5 435.1G6.3
Si–Cl (2) 99.6G1.5 416.7G6.3
OSi–Cl 22.0 92 Derived 2001HIL/LAU

OClSi–Cl 26.3 110
Chlorosilane-1,1,1-triol 118.3 495 Derived 2003BRA/NES

(OH)3Si–Cl
Bromosilane 89.9G2.2 (2) 376G9 Derived 1998BEC/WAL

SiH3–Br
Trimethyl bromosilane (1) 96.0G2.0 402G8 Derived (1) 1989WAL

Me3Si–Br (2) 101.4G1.0 424.2G4.3 (2) 2006DAV/BAE
Tetrabromosilane
SiBr3–Br (1) 89.9G5.3 376G22 Derived (1) 1998BEC/WAL
(2) 88.1G2 368.6G8.4 (2) 2003HIL/LAU
SiBr2–Br (2) 53.7G2 224.7G8.4
SiBr–Br (2) 88.7G2 371.1G8.4
Si–Br (2) 85.6G2 358.2G8.4
Bromosilane-1,1,1-triol 102.5 429 Derived 2003BRA/NES

(OH)3Si–Br
Iodosilane 71.5G2.0 299G8 Derived 1998BEC/WAL

SiH3–I
Trimethyl iodosilane (1) 76.9 321.7 (1) UV spectrom. (1) 1979DON/WAL

Me3Si–I (2) 76.7G2.0 320.9G8.4 (2) Derived (2) 1989WAL
Tetraiodosilane
SiI3–I (1) 67.9G6.2 284G26 Derived (1) 1998BEC/WAL
SiI2–I (2) 39.1G2 163.6G8.4 (2) This volume
SiI–I (2) 78.5G2 328.4G8.4
Si–I (2) 58.1G2 243.1G8.4
OSi(I)x–I
xZ0 %24 %100 MS 2001HIL/LAU
1 %80 %335
(continued)

Si–Ar 1.40 5.86 Spectroscopy 2002TAO/TES
Si2B–Si 103.3 432 Derived 1997GIN/VIS
Silicon phosphide 86.9 363.6 MS 1972SMO/DEP

Si–P
Phosphino silane 79.2 331.4 Derived from 1990PIL

H3Si–PH2 DfH0 in ref.
Silicon sulfides
Si(S)x–S
xZ0 (1) 147.9 619 (1) Derived from (1) 1991GUR/VEY
DfH0 in ref.
(2) 148.4 621 (2) Derived from (2) 1996NIST
DfH0 in ref.
(3) 147.5G1.2 617G5 (3) Derived (3) 1997TOM/HOP
1 (1) 80.6 337
Silicon selenides
Si(Se)x–Se
xZ0 128.6G3.1 538G13 Review 1994TOM/SUS
1 75.5G4.3 316G18
Silicon tellurides
Si(Te)x–Te
xZ0 92.6G2 388G8 Review 1994TOM/SUS
1 46.8G3.8 196G16
Silicon monoxide 53G10 222G42 Review 1967DRO/GOL

dimer
(SiO)–SiO
Me3Si–GeMe3 67.7 283.3 Derived 1971LAP/PED

–SnMe3 68.3 285.8
(CO)5Mn–SiMe3 60.9 254.7 MS 1973BUR/STO
Note: The BDEs in Si-clusters and on Si-surfaces are listed in Section 24.2.
9.2 Ge–X bonds

Table 9.2 Ge–X BDEs

Germane (1) 78.0G1 326.4 (1) VLPP (1) 1987AGR/SET

GeH3–H, (2) 82.6G2.4 345.6G10.0 (2) VLPP (2) 1983NOB/WAL
DfH0(R)Z53G2 (3) 85.6G2.1 358.2G8.8 (3) FT-ICR (3) 1993DEC/GAL
(221.8G8.4) (4) 83.4G2 348.9G8.4 (4) Recommended (4) 1994BER/ELL
(5) 82.5 345.2 (5) EA (5) 2001MOR/RIV
Radicals
GeH2–H (1) 59 247 (1) PIMS (1) 1990RUS/SCH
GeH–H (1) 66 276
Ge–H (1) 63 264
(2) 62.9G1.2 263.2G4.8 (2) Spectroscopy (2) 2000RAJ/RAJ(c)
Ge–D (3) %77 %322 (3) Est. by exp. (3) 1979HUB/HER
Trimethylgermane (1) 81.7G2.4 341.8G10.0 (1) VLPP (1) 1979DON/WAL

Me3Ge–H (2) 82 343.1 (2) AE (2) 1979JAC
(3) 81.6G0.5 341.4G2.1 (3) PAC (3) 1991CLA/GRI
(4) 79.8G3.5 333.9G14.6 (4) PEDt. (4) 1995BRI/SAL
Triethyl germane (1) 82.3 344.3 (1) PAC (1) 1991CLA/GRI

(C2H5)3Ge–H (2) 86.0 359.8 (2) PAC, revised (2) 1999LAA/MUL
Tri-tert-butyl germane (1) 82.6 345.6 (1) PAC (1) 1991CLA/GRI

(tBu)3Ge–H (2) 88.0 368.2 (2) PAC, revised (2) 1999LAA/MUL
(continued)
Table 9.2 (continued) Ge–X BDEs

3-(1,1-Dimethyl-1- 72.9 305.2 Correlation 2002DRO/DEN

silaethyl)-3-germa-
2,2,4,4-tetramethyl-
2,4-disilapentane
(Me3Si)3Ge–H
Phenylgermane, 80.7 337.5 Correlation 2002DRO/DEN

substituted
(2,4,6-Me3–C6H2)
GeH2–H
Diphenylgermane, 80.5 336.8 Correlation 2002DRO/DEN

substituted
(2,4,6-Me3–C6H2)2
GeH–H
2-Gema-1- 81.6 341.6 Correlation 2002DRO/DEN

phenylfromtane
(PhCH2)(C2H5)
GeH–H
2-Gema-1,2- 77.7 324.9 Correlation 2005DEN/TUM

diphenylethane
(PhCH2)(Ph)GeH–H
2-Germa-1,3-diphenyl- 77.7 324.9 Correlation 2002DRO/DEN

2-benzylpropane
(PhCH2)3Ge–H
Phenyl germane (1) 79.2 331.4 (1) PAC (1) 1991CLA/GRI

PhH2Ge–H (2) 86.0 359.8 (2) PAC, revised (2) 1999LAA/MUL
Diphenyl germane (1) 79.5 332.6 (1) PAC (1) 1991CLA/GRI

Ph2HGe–H (2) 85.0 355.6 (2) PAC, revised (2) 1999LAA/MUL
Triphenyl germane (1) 80.2 335.6 (1) PAC (1) 1991CLA/GRI

Ph3Ge–H (2) 86.0 359.8 (2) PAC, revised (2) 1999LAA/MUL
(3) 77.1 322.5 (3) Correlation (3) 2002DRO/DEN
2,3,5,6-Tetraphenyl-1,
4-digermin
Ph Ph
H H
Ge Ge
H H
Ph Ph
Methoxygermane 81.5 341.0 EA 2001MOR/RIV

H2Ge(OMe)–H
Dimethoxygermane 82.6 345.6 EA 2001MOR/RIV

HGe(OMe)2–H
Germanium dimer
Ge(Ge)x–Ge
xZ0 (1) 64 268 (1) MS (1) 1959DRO/MAR
(2) 65.4G5 273.6G20.9 (2) MS (2) 1972NEC/SOD
(3) 66 276 (3) Review (3) 1979MIE/GIN
(4) 63.0G1.7 263.5G7.0 (4) MS (4) 1986KIN/NAG
(5) 63.2G1.6 264.4G6.8 (5) MS (5) 2002SHI/BAB
Germanium clusters
xZ1 (1) 89 372 (1) MS (1) 1959DRO/MAR
(2) 77.7G5.2 325G22 (2) Derived from (2) 2000GIN/BAB
DfH0 in ref.
2 (1) 128 537
(2) 90.0G7.5 377G32
Ge2–Ge2 112 469 MS 1959DRO/MAR
(continued)

Digermane 67.2G3 281.2G8.4 Derived from 2002CRC

H3Ge–GeH3 DfH0 in ref.
Hexamethyldigermane 67.0 280.3 Derived 1971LAP/PED

Me3Ge–GeMe3
Triphenylgermane, 61.4 257 Derived 1992CAR

substituted
Ph3Ge–GePh3
Germanium fluorides
Ge(F)x–F
xZ0 125G3 523G13 Derived from 1991GUR/VEY
DfH0 in ref.
1 139G5 582G21
2 75G12 314G50
3 111G12 464G50
Germanium chlorides
Ge(Cl)x–Cl
xZ0 (1) 101G5 423G21 (1) Derived from (1) 1991GUR/VEY
DfH0 in ref.
(2) 93.4G2.3 390.8G9.6 (2) MS (2) 1996HIL/LAU
1 (1) 86G5 360G21
(2) w93 w389
2 (1) 52G12 218G50
3 (1) 84G12 352G50
(3) 74.1G4.6 310G19 (3) MS (3) 1972TAM/CZI
Trimethylchloro 107G4.6 448G19 MS 1972TAM/CZI

germane
(CH3)3Ge–Cl
Germanium bromides
Ge(Br)x–Br
DfH0 in ref.
1 74G3 310G13
2 40.5G12 170G50
3 68G12 285G50
Germanium iodides
Ge(I)x–I
DfH0 in ref.
1 64G6 268G25
2 27.5G12 115G50
3 51G12 213G50
Germanium carbide (1) 109G5 456G21 (1) MS (1) 1959DRO/MAR

Ge–C (2) 110 460 (2) Review (2) 1970DAR
(3) 108.9G2.6 455.7G11 (3) Re-evaluated (3) 1998SHI/BAB
Germanium carbides
Ge(Ge)x–C
xZ1 175 732 MS 1959DRO/MAR
2 155 649
3 148 619
Cl3Ge–CH3 (1) 66.4G4.6 278G19 Derived (1) 1972TAM/CZI

(CH3)3Ge–CH3 (1) 67.8G3.2 284G14
(2) 69.0 288.7 (2) 1971LAP/PED
Cl3Ge–CCl3 (1) 55.6G4.6 233G19
Triphenylgermane,
substituted
Ph3Ge–X
XaC2CH3 92.0 385 Derived 1992CAR
Ph 86.0 360
CbCPh 125 523
GeSi–C 173 724 MS 1959DRO/MAR

Ge2Si–C 155 649
(continued)

Germanium silicides
Ge(Ge)x–Si
xZ0 71 297 MS 1959DRO/MAR
1 99 414
2 99 414
GeC–Si 128 537 MS 1959DRO/MAR

Ge2C–Si 100 418
C2–Ge 146 611 MS 1959DRO/MAR

GeSi–Ge 93 389
Ge2C–Ge 84 352
Ge2Si–Ge 93 389
GeSiC–Ge 79 331
Ge–Sn 55.0G3.1 230G13 Derived from 1998SCH/GIN

Ge(Sn)–Sn 79.8G6.3 334G26 DfH0 in ref.
Me3Ge–SnMe3 69.1 289.1 Derived 1971LAP/PED
Germanium oxides
Ge(O)x–O
DfH0 in ref.
(2) 156.0G2 652.7G8.4 (2) MS (2) 1996KAZ/BOL
(3) 157.8 660.3 (3) Spectroscopy (3) 1999LEE/SET
1 (1) 75.9 318
Triphenylgermane, 108.7 455 Derived 1992CAR

substituted
Ph3Ge–O
Germanium sulfides
Ge(S)x–S
DfH0 in ref.
(2) 127.9G0.7 535G3 (2) Evaluation (2) 1995OHA/CUR
(3) 127.6G0.7 534G3 (3) Derived (3) 1997TOM/HOP
1 (1) 60.0 251
(2) 64.3G4.8 269G20
Germanium selenide 115.8G0.4 484.7G1.7 Review 1996OHA/ZYW

Ge–Se
Germanium tellurides
Ge(Te)x–Te
xZ0 94.8G0.8 396.7G3.3 MS 1995OHA
1 50.2G2 210G8
Germanium monoxide 45G3 188.3G12.6 Review 1967DRO/GOL

dimer
(GeO)–GeO
Ge–Ar !1.3 !5.4 Spectroscopy 2003TAO/TES
Note: The BDEs in Ge-clusters and on Ge-surfaces are listed in Section 24.3.
9.3 Sn–X bonds

Table 9.3 Sn–X BDEs

Tin monohydride 63G4 264G17 Review 1968GAY

Sn–H
Stannane 82.7 346.0 Correlation 2005DEN/TUM

H3Sn–H
(continued)
Table 9.3 (continued) Sn–X BDEs

Trimethylstannane (1) 74 309.6 (1) PAC (1) 1991CLA/GRI

Me3Sn–H (2) 75G3.5 313.8G14.6 (2) PEDt (2) 1995BRI/SAL
(4) 76.1 318.5 (4) Correlation (4) 2002DRO/DEN
(5) 77G4 322G17 (5) Derived (5) 2002BEC/BOG
Tributylstannane (1) 73.7G2 308.4G8.4 (1) PAC (1) 1986BUR/MAJ

(nBu)3Sn–H (2) 78.0 326.4 (2) PAC, revised (2) 1999LAA/MUL
Triphenylstannane 71.0 296.9 Correlation 2005DEN/TUM

Ph3Sn–H
Tin dimer (1) 45.8G4 191.6G16.7 (1) MS (1) 1962ACK/DRO

Sn–Sn (2) 45.2 189 (2) Review (2) 1979MIE/GIN
(3) 44.7G0.1 187.1G0.3 (3) Spectroscopy (3) 1988PAK/CAI
(4) 47.0 196.7 (4) Review (4) 1996SMI/YAT
Tin clusters
Sn(Sn)x–Sn
xZ3 58.4G6.2 244.3G26 Derived from 2000MEL/SCH
4 86.1G8.5 360.2G36 DfH0 in ref.
5 70.4G11 294.6G46
Tin germanides 63.7G7.6 266.5G32 Derived from 1998SCH/GIN

Sn–Sn(Ge) DfH0 in ref.
Tetrachloroditin 25.5G1.5 106.8G6.2 MS 2005HIL/ROS

Cl2Sn–SnCl2
Hexamethyl ditin 61.6 257.7 MS 1971LAP/PED

Me3Sn–SnMe3
Triphenylstannane, 45.2 189.1 Derived 1992CAR

substituted
Ph3Sn–SnPh3
Tin germanides
Sn–Ge 55.0G3.1 230.1G13 Derived from 1998SCH/GIN
DfH0 in ref.
–Ge(Sn) 79.8G6.3 333.9G26
Lead, compound 30.2G1.0 126.3G4.0 Combined 2005GIG/MEL

with tin(1:1)
Sn–Pb
Tin fluorides
Sn(F)x–F
xZ0 (1) 111.5G3 466.5G12.5 (1) MS (1) 1968ZMB/HAS
(2) 113.7G2 476G8 (2) Derived from (2) 1991GUR/VEY
DfH0 in ref.
1 (2) 118.4G3 495G13
2 (2) 51G12 213G50
3 (2) 109G17 456G71
Tin chlorides
Sn(Cl)x–Cl
xZ0 (1) 98G4 410G17 (1) Review (1) 1974GUR/KAR
(2) 83.7G1 350G8 (2) Spectroscopy (2) 1993RAJ/PON
1 (3) 85.7G4 359G17 (3) Derived from (3) 1991GUR/VEY
DfH0 in ref.
2 (3) 50.5G13 211G55
3 (3) 73G13 305G55
Trimethylstannane (1) 107 448 Derived (1) 1998GAL/PAU

substituted (2) 101.6G4 425G17 (2) 2002BEC/BOG
Me3Sn–Cl
Tin bromides,
Sn(Br)x–Br
xZ0 80.6G3 337G13 Derived from 1991GUR/VEY
DfH0 in ref.
1 73.3G3 307G13
(continued)

2 36.2G12 151G50
3 66.3G12 277G50
Trimethylstannane, (1) 91.3 382 Derived (1) 1998GAL/PAU

substituted (2) 91G4 381G17 (2) 2002BEC/BOG
Me3Sn–Br
Tin iodides
Sn(I)x–I
1 68.7G3 287G13 DfH0 in ref.
2 25.5G12 107G50
3 52G12 218G50
Trimethylstannane, (1) 76.7 321 Derived (1) 1998GAL/PAU

substituted (2) 76.5G4 320G17 (2) 2002BEC/BOG
Me3Sn–I
Trimethylstannane, (1) 65.4 273.6 Derived (1) 1971LAP/PED

substituted (2) 64.0 267.8 (2) 1988GRI/KAM
Me3Sn–CH3 (3) 60.5 253 (3) 1992CAR
(4) 70.5G4 295G17 (4) 2002BEC/BOG
2,2-Dimethyl-2- 60.0 251.0 Derived 1988GRI/KAM

stannabutane
Me3Sn–Et
2,2,3-Trimethyl-2-stanna- 55.4 231.8 Derived 1988GRI/KAM

butane
Me3Sn–iPr
2,2,3,3-Tetramethyl-2- 50.4 210.9 Derived 1988GRI/KAM

stanna-butane
Me3Sn–tBu
Triphenylstannane,
substituted
Ph3Sn–X
XZCHCH2 67.4 282 Derived 1992CAR
Ph 65.5 274
CbCPh 102.1 427
Tin bismuthides
Sn(Bi)x–Bi
xZ0 46.2G3 193G13 Derived from 2002MEL/GIN
1 26.8G4.5 112G19 DfH0 in ref.
2 45.3G5.6 190G23
Tin oxides
Sn(O)x–O
xZ0 (1) 126.1G3.0 528G13 (1) Review (1) 1983PED/MAR
(2) 126.3 528 (2) Derived from (2) 1991GUR/VEY
DfH0 in ref.
1 (2) 62.0 259
Trimethylstannane, 116.6G4 488G17 Derived 2002BEC/BOG

substituted
Me3Sn–OH
Triphenylstannane,
substituted
Ph3Sn–X
XZO 81.0 338.9 Derived 1992CAR
OH 90.6 379.1
Tin sulfides
Sn(S)x–S
xZ0 (1) 112G6 469G25 (1) Spectroscopy (1) 1953BAR/DRU
(2) 111G3.0 464.4G12.6 (2) MS (2) 1962COL/DRO
DfH0 in ref.
1 (3) 57.0 238
Tin selenide 95.9G1.4 401.2G5.9 MS 1964COL/DRO

Sn–Se
(continued)

Tin telluride 80.8G1.5 338.1G6.3 MS 1964COL/DRO

Sn–Te
Sn–Ar !1.2 !5.1 Spectroscopy 2004TAO/DAG
Tin monoxide dimer 67G4 280.0G16.7 Review 1967DRO/GOL

(SnO)–SnO
Note: The BDEs in Sn-clusters and on Sn-surfaces are listed in Section 24.4.
9.4 Pb–X bonds

Table 9.4 Pb–X BDEs

Lead monohydride %37.5 %157 Spectroscopy 1979HUB/HER

Pb–H
Lead dimer (1) 19.4G1.4 81G6 (1) MS (1) 1976GIN/COC

Pb–Pb (2) 19.8 83 (2) Review (2) 1979MIE/GIN
(3) 20.7G0.2 86.6G0.8 (3) MS (3) 1981PIT
(4) 20.0 83.8 (4) Review (4) 1996SMI/YAT
Hexamethyl dilead 54.6 228.4 MS 1971LAP/PED

Me3Pb–PbMe3
Tetramethylead (1) 48.8 204.2 (1) Derived (1) 1971LAP/PED

(CH3)3Pb–CH3 (2) 57G5 238G21 (2) Derived from (2) 1996NIST
DfH0 in ref.
Tetraethyllead 55G5 230G21 Derived from 1996NIST

(C2H5)3Pb–C2H5 DfH0 in ref.
Lead, compound with 30.2G1.0 126.3G4.0 Combined 2005GIG/MEL

tin (1:1)
Pb–Sn
Lead fluorides
Pb(F)x–F
xZ0 (1) 84.8G3 355G13 Derived from (1) 1996NIST
1 (1) 103.8G3 434G13 DfH0 in ref.
2 (2) 30G15 126G63 (2) 1991GUR/VEY
3 (2) 93G19 389G79
Lead chlorides
Pb(Cl)x–Cl
1 (1) 74.2G12 310G50 DfH0 in ref.
2 (2) 29.5G20 123G84 (2) 1991GUR/VEY

3 (2) 64.8G20 271G84
Lead bromides
Pb(Br)x–Br
xZ0 (1) 59.4G3.5 248.5G14.6 (1) LIF (1) 1995DRA/SIM
(2) 56.4G10 236G42 (2) Derived from (2) 1996NIST
DfH0 in ref.
1 (1) 66.5G3.5 278.2G14.6
(2) 68.6G11 287G46
DfH0 in ref.
3 (3) 45.4G27 190G113
Lead iodides
Pb(I)x–I
1 (1) 52.0G10 218G42 DfH0 in ref.
2 (2) 17.8G19 75G80 (2) 1991GUR/VEY
3 (2) 40.6G27 170G113
(continued)
Table 9.4 (continued) Pb–X BDEs

Lead monoxide (1) 91.3G3 382.0G12.6 (1) Review (1) 1983PED/MAR

Pb–O (2) 89.4 374 (2) Derived from (2) 1996NIST
DfH0 in ref.
Lead dioxide (1) 43.3 181 (1) Derived from (1) 1991GUR/VEY
Pb–O2 DfH0 in ref.
(2) !37 !155 (2) PD (2) 2003CAM/PLA
Lead sulfides
Pb(S)x–S
xZ0 (1) 80.0G2.8 334.7G11.7 (1) MS (1) 1962COL/DRO
(2) 82.7G0.4 346.0G1.7 (2) MS (2) 1969UY/DRO
DfH0 in ref.
1 (3) 38.5 161
Lead selenide 72.4G1.0 302.9G4.2 MS 1969UY/DRO

Pb–Se
Lead telluride 59.7G2.5 249.8G10.5 MS 1969UY/DRO

Pb–Te
Lead antimonide 38.6G2.5 161.5G10.5 MS 1981ZMB/NEU

Pb–Sb
Lead bismuthide (1) 33.9G4 141.8G14.6 MS (1) 1967ROV/DRO

Pb–Bi (2) 34.0G0.7 142.4G3.0 (2) 1982NEU/IHL
Lead monoxide dimer 63G5 263.6G21 Review 1967DRO/GOL

(PbO)–PbO
BDEs in the clusters and complexes of N-, P-As-, Sb-, and Bi-ions are listed in Chapter 25. (3) The BDEs in the
chapter ten
BDEs of P–, As–, Sb–, Bi–X bonds
10.1 P–X bonds

Table 10.1 P–X BDEs
BDEs (boldfaceZ
recommended data;
Phosphine (1) 83.9G0.5 351.0G2.1 (1) PIMS (1) 1986BER/CUR

H2P–H (2) 83.9G0.5 351.0G2.1 (2) Recommend. (2) 1994BER/ELL
Radicals
HP–H (1) 75.9G0.5 317.5G2.1 (1) PIMS (1) 1986BER/CUR
DfH0 in ref.
P–H (1) 71.0G0.5 297.0G2.1
P–D (3) 71.5 299.0 (3) Review (3) 1979HUB/HER
Methylphosphine 77G3 322.2G12.6 GPA 1994SUN/PAN

CH3PH–H
Octylphosphine 89.7 375.3 PAC 1999LAA/MUL

CH3(CH2)7PH–H
Ethylphosphine 89.7 375.3 MS 1969BOG/GRI

C2H5PH–H
(continued)
481
Table 10.1 (continued) P–X BDEs
BDEs (boldfaceZ
recommended data;
a-CN-propylphosphine 89.2 373.4 Correlation 2002DRO/DEN

NC(CH2)3PH–H
Di(a-CN-propyl)phosphine 88.3 369.5 Correlation 2002DRO/DEN

(NC(CH2)3)2P–H
Dibutylphosphine 89.6 375.0 Correlation 2002DRO/DEN

(CH3(CH2)3)2P–H
Diethylphosphine 90.3 377.8 Correlation 2002DRO/DEN

(CH3CH2)2P–H
Dioctanylphosphine 89.7 375.3 Correlation 2005DEN/TUM

(n-C8H17)2P–H
Di-cyclo-hexylphosphine 86.2 360.6 Correlation 2005DEN/TUM

(cyclo-C6H11)2P–H
Phosphorus clusters
P(P)x–P
xZ0 116.9 489.1 Review 1992YOO/RUS(b)
1 59.0 246.9
2 110.8 463.6
P2–P2 54.7 228.7 PIMS 1977SME/COP
Diphosphine 61.2 256.1 MS 1969MCA/LOS

H2P–PH2
Tetrafluorodiphosphine 40.6–42.0 170–176 Derived 1984BER/GRE

F2P–PF2
BDEs of P–, As–, Sb–, Bi–X Bonds 483
Tetrachlorodiphosphine 58 242.7 MS 1963SAN/MOS

Cl2P–PCl2
Tetraiododiphosphine 73.9 309 MS 1969FIN/HAM

I2P–PI2
(Diethylphosphino) 86 359.8 MS 1968GRI/BOG

diethyl-phosphine
(C2H5)2P–P(C2H5)2
Phosphino fluoride 110.3G2.5 461.5G10.5 Derived from 2000FER/ALC

H2P–F DfH0 in ref.
Phosphorus fluorides
F2P–F (1) 131.3 549 (1) Derived from (1) 1996NIST
DfH0 in ref.
FP–F (1) 123.2 515
P–F (1) 107.1 448
(2) 113G4.6 473G19 (2) Combined (2) 1995LAT/BAL
(3) %96.7 %405 (3) IR CL (3) 1995ZHA/SET
Phosphorus chlorides
Cl2P–Cl (1) 85.0G2 356G8 (1) Derived from (1) 1998CHA
DfH0 in ref.
(2) %77.7 %325 (2) Spectrometry (2) 1979KOL/VEL
ClP–Cl (3) 72.8G3 305G13 (3) Derived from (3) 1989GUR/VEY
DfH0 in ref.
P–Cl (1) 73.8 309
(4) %89.8 %376 (4) IR CL (4) 1995ZHA/SET
Phosphorus bromides
Br2P–Br (1) !62 !259 IR CL (1) 1980MAL/SET
P–Br (2) %78.7 %329 (2) 1995ZHA/SET
Phosphorus triiodide 51.9 217 MS 1969FIN/HAM

I2P–I
(continued)
BDEs (boldfaceZ
recommended data;
Carbon phosphide (1) 122.7G2 513.4G8 MS (1) 1971SMO/MYE

C–P (2) 121.3G2.1 507.5G8.8 (2) 1973KOR/GIN(b)
Silicon phosphide 86.9 363.6 MS 1972SMO/DEP

Si–P
Phosphino silane 79.2 331.4 Derived from 1990PIL

H3Si–PH2 DfH0 in ref.
Phosphorus nitride 147.5G5.0 617.1G20.9 MS 1969GIN(b)

P–N
Phosphorus oxides
P(O)x–O
xZ0 (1) 142.7 597.2 (1) Spectroscopy (1) 1979HUB/HER
DfH0 in ref.
1 (2) 129.1 540
Phosphoryl fluoride (1) 130G5 544G21 Review (1) 1966KER

OaPF3 (2) 129 534 (2) 1973BEN
Phosphoryl chloride (1) 122G5 510G21 Review (1) 1966KER

OaPCl3 (2) 124 519 (2) 1973BEN
Phosphoryl bromide (1) 119G5 498G21 Review (1) 1966KER

OaPBr3 (2) 122 510 (2) 1973BEN
Methyl methylphosphate 139 582 Review 1973BEN

OaP(CH3)3
Ethyl ethylphosphate 148 619 Review 1973BEN

OaP(OC2H5)3
Phosphinotris 128 536 Review 1973BEN

(dimethylamino)-1-one
OaP(N(CH3)2)3
Triphenylphosphino-1-one 130 544 Review 1973BEN

OaPPh3
Phosphorus monosulfide 105.6G2.4 442G10 MS 1973DRO/MYE

S–P
Trifluorophosphino-1- 100 418 Review 1973BEN

thione
SaPF3
Trichlorophosphino-1- 68 285 Review 1973BEN

thione
SaPCl3
Tribromophosphino-1- 94 393 Review 1973BEN

thione
SaPBr3
Tricyclohexylphino-1- 98 410 Calorimetry 1998CAP/WIX

thione
SaPCy3
Tributylhosphino-1-thione 96 402 Calorimetry 1998CAP/WIX

SaPBu3
Trimethylhosphino-1- 94 393 Calorimetry 1998CAP/WIX

thione
SaPMe3
(continued)
BDEs (boldfaceZ
recommended data;
Dimethylphenyl 93 389 Calorimetry 1998CAP/WIX

phosphino-1-thione
SaPMe2Ph
Methyldiphenylphosphino- 91 381 Calorimetry 1998CAP/WIX

1-thione
SaPMePh2
Triphenylphosphino-1- 88 368 Calorimetry 1998CAP/WIX

thione
SaPPh3
Selenium phosphide 86.9G2.4 363.7G10.0 MS 1973DRO/MYE

SeaP
SeaPBu3 75 314 Calorimetry 1998CAP/WIX

aPCy3 75 314
aPh3 67 280
Tellurium phosphide 71.2G2.4 297.9G10.0 MS 1973DRO/MYE

Te–P
TeaPBu3 52 218 Calorimetry 1998CAP/WIX
(CH3)3P–Al(CH3)3 21 88 Re-anal. 1989HAA
Thallium phosphide 50G3 209G13 MS 1978PIA/BAL

Tl–P
Antimony phosphide 85.3G1.0 356.9G4.2 MS 1972KOR/GIN

Sb–P
Bismuth phosphide 67.3G3.0 281.7G13 MS 1974GIN/COC

Bi–P
Note: The BDEs in P–B, P–Al, P–Ga, and P–In bonds are listed in Chapter 23.
10.2 As–X bonds

Table 10.2 As–X BDEs
BDEs (boldfaceZ
recommended data;
Arsenic hydrides
H2As–H (1) 74.9G0.2 313.4G0.8 (1) PIMS (1) 1988BER
(2) 76.3G0.2 319.2G0.8 (2) Recommend. (2) 1994BER/ELL
(3) 73.5G3.0 307.5G12.6 (3) GPA (3) 1994SUN/PAN
(4) 72.6 303.9 (4) PI (4) 1998RAN/SHU
As(H)x–H, radicals
xZ0 (1) 64.8G2.8 271.1G11.6 (1) Spectroscopy (1) 1968DIX/LAM
(2) 65.5G0.7 274.0G2.9 (2) PIMS (2) 1988BER
1 (2) 67.7G0.2 283.2G0.8
DfH0 in ref.
As–D (4) 64.6 270.3 (4) Spectroscopy (4) 1979HUB/HER
Arsenic clusters
As(As)x–As
xZ0 (1) 91.3 382 Review (1) 1979MIE/GIN
(2) 92.2G2.5 385.8G10.5 (2) 1992YOO/RUS(b)
(3) 92.2 385.8 (3) 1996SMI/YAT
1 (2) 52G2.5 217.6G10.5
2 (2) 93.3G2.5 390.4G10.5
Arsenic fluoride 98.0 410 Spectroscopy 1979HUB/HER

As–F
(continued)
Table 10.2 (continued) As–X BDEs
BDEs (boldfaceZ
recommended data;
Arsenic chloride 107 448 Review 1970DAR

As–Cl
Arsenic iodide 70.9G5.8 296.6G24 MS 1979RUN/ZHU

As–I
Arsenic monoxide 115.6G2 484G8 Review 1983PED/MAR

As–O
Arsenic monosulfide 90.7G1.5 379.5G6.3 MS 1982LAU/BRI

As–S
Arsenic monoselenide 22.9 96 MS 1966PEL/MIL

As–Se
OaAsPh3 102.6G7.3 429G31 Calorimetry 1988BAR/BUR
SaAsPh3 70 293 Calorimetry 1998CAP/WIX
Arsenic nitride 116.9G0.5 489G2.1 Spectroscopy 1991RAJ/SEN

As–N
Arsenic phosphide 103.6G3 433.5G12.6 MS 1974GIN/COC

As–P
Antimony arsenide 79.0G1.3 330.5G5.4 MS 1978DRO/SMO

As–Sb
10.3 Sb–X bonds

Table 10.3 Sb–X BDEs
BDEs (boldfaceZ
recommended data;
Antimony hydrides
Sb(H)x–H
xZ0 (1) 57.3G1.0 239.7G4.2 (1) PI (1) 1993RUS/BER(c)
1 (1) 59.5G0.6 248.9G2.5
2 (2) 68.9G0.5 288.3G2.1 (2) Recommend. (2) 1994BER/ELL
Antimony clusters
Sb(Sb)x–Sb
xZ0 (1) 71.8G1.0 300.4G4.8 (1) MS (1) 1973KOR/GIN
(2) 72.4 303 (2) Review (2) 1979MIE/GIN
(3) 72.1G1.5 301.7G6.3 (3) Review (3) 1992YOO/RUS(b)
1 (3) 53.9 225.5
2 (3) 88.7 371.1
Sb–C3H5 21.6 90.4 Pyrolysis 1991LI/LAR

Sb–C3H7 30.8 128.9
Lead antimonide 38.6G2.5 161.5G10.5 MS 1981ZMB/NEU

Sb–Pb
Antimony fluoride 105G23 439G96 Review 1968GAY

Sb–F
Antimony chloride 86G12 360G50 Review 1968GAY

Sb–Cl
Antimony bromide 75G14 314G59 Review 1968GAY

Sb–Br
Antimony monoxide 103.7G10 434G42 Review 1983PED/MAR

Sb–O
(continued)
Table 10.3 (continued) Sb–X BDEs
BDEs (boldfaceZ
recommended data;
Antimony monosulfide 90.5 378.7 MS 1972FAU/MIT

Sb–S
SaSbPh3 67 280 Calorimetry 1998CAP/WIX
Antimony monotelluride (1) 60.9 254.8 MS (1) 1960POR/SPE

Sb–Te (2) 66.3G0.9 277.4G3.8 (2) 1974SUL/ZEH
Antimony nitride 110G20 460G84 Review 1974GUR/KAR

Sb–N
Antimony phosphide 85.3G1.0 356.9G4.2 MS 1972KOR/GIN

Sb–P
Antimony arsenide 79.0G1.3 330.5G5.4 MS 1978DRO/SMO

Sb–As
Bismuth antimonide 60.4G0.9 252.7G3.9 MS 1968KOH/CAR

Sb–Bi
10.4 Bi–X bonds

Table 10.4 Bi–X BDEs
BDEs (boldfaceZ
recommended data;
Bismuth hydrides
Bi–H %67.7 %283.3 Spectroscopy 1975LIN/NIL
–D 67.8 283.7
Bismuth clusters
Bi(Bi)x–Bi
xZ0 (1) 47.8 200 Review (1) 1979MIE/GIN
(2) 47.9G1.8 200.4G7.5 (2) 1992YOO/RUS(b)
(3) 48.9 204.4 (3) 1996SMI/YAT
1 (2) 22 92.0
2 (2) 61 255.2
Bismuth fluorides
Bi(F)x–F
xZ0 (1) 87.7G3 367G13 (1) PI (1) 1992YOO/RUS
(2) 87.6G3 366.5G12.5 (2) LIF (2) 1993OBE/PAR
(3) 86.2G2.3 360.7G9.6 (3) CL (3) 1993CHE/OBE
1 (1) 80.7G3.5 338G15
2 (1) 104G4.6 435G19
Bismuth chlorides
Bi(Cl)x–Cl
xZ0 71.8G1 300.4G4.2 Derived 1967CUB
1 !58 !242.7
2 O71 O297.1
Bismuth bromide (1) 63.9 267.4 (1) Calorimetry (1) 1968CUB(b)

Bi–Br (2) 57.4 240.2 (2) Spectroscopy (2) 2000RAJ/RAJ
Bismuth iodide (1) 51.5 215.5 (1) Calorimetry (1) 1968CUB

Bi–I (2) 44.9 188.0 (2) Spectroscopy (2) 1982RAO/RAO
(3) 44.5G1.4 186.1G5.8 (3) Correlation (3) 2004RAJ/RAJ
Bismuth monoxide (1) 81.0G1.4 338.9G5.9 (1) MS (1) 1969UY/DRO

Bi–O (2) 80.6G3.0 337.2G12.6 (2) Review (2) 1983PED/MAR
Bismuth monosulfide 75.4G1.1 315.5G4.6 MS 1969UY/DRO

Bi–S
Bismuth monoselenide 67.0G1.4 280.3G5.9 MS 1969UY/DRO

Bi–Se
(continued)
Table 10.4 (continued) Bi–X BDEs
BDEs (boldfaceZ
recommended data;
Bismuth telluride 55.5G2.7 232.2G11.3 MS 1969UY/DRO

Bi–Te
Bismuth phosphide 67.3G3.0 281.7G13 MS 1974GIN/COC

Bi–P
Bismuth antimonide 60.4G0.9 252.7G3.9 MS 1968KOH/CAR

Bi–Sb
Bi–Sn(Bi)x
xZ0 46.2G3 193G13 Derived from 2002MEL/GIN
1 26.8G4.5 112G19 DfH0 in ref.
2 45.3G5.6 190G23
Lead bismuthide (1) 33.9G4 141.8G14.6 MS (1) 1967ROV/DRO

Bi–Pb (2) 34.0G0.7 142.4G3.0 (2) 1982NEU/IHL
Thallium bismuthide 28.9G3 120.9G12.6 Review 1974GUR/KAR

Bi–Tl
Note: (1) The BDEs in the clusters and complexes of CK, SiK, GeK, SnK, and PbKions are listed in Chapter 24.
(2) The BDEs in the clusters and complexes of NK, PK, AsK, SbK, and BiKions are listed in Chapter 25. (3) The
BDEs in the clusters and complexes of OK, SK, SeK, TeK, and PoKions are listed in Chapter 26. (4) The BDEs in
the clusters and complexes of halogenated ions are listed in Chapter 27.
chapter eleven
BDEs of H(HG)–, Li(LiG)–, Na(NaG)–,

K(KG)–, Rb(RbG)–, and
Cs(CsG)–X bonds
11.1 H–, HC–, and HK–X bonds

Table 11.1 BDEs of H–, HD–, and HL–X Bonds
BDEs (boldfaceZ
recommended data;
H–H (1) 104.204 435.990 Spectroscopy (1) 1979HUB/HER

(2) 104.1540G0.0002 435.7805G0.0010 (2) 1992BAL/SMI
(3) 104.1539G0.0001 435.7799G0.0005 (3) 1993EYL/MEL
(4) 104.1539G0.0002 435.7799G0.0010 (4) 1994BAL/SMI
(5) 104.1539G0.0001 435.7799G0.0001 (5) 2004ZHA/CHE
H–D (1) 105.027 439.433
(3) 104.9768G0.0003 439.2229G0.0012
(5) 104.9767G0.0001 439.2223G0.0002
(6) 104.9767G0.0003 439.2223G0.0012 (6) 1993BAL/VAL
H–T (1) 105.28 440.49
D–D (1) 106.007 443.533
(3) 105.9559G0.0002 443.3194G0.0008
(4) 105.9559G0.0002 443.3194G0.0008
(5) 105.9560G0.0001 443.3197G0.0003
(7) 105.9561G0.0002 443.3201G0.0008 (7) 1992BAL/STO
D–T (1) 106.34 444.91
T–T (1) 106.76 446.67
ZnO(surf.)D–D 93.8 392.5 IR 2002KAZ/PID
(continued)
493
Table 11.1 (continued) BDEs of H–, HC–, and HK–X Bonds
BDEs (boldfaceZ
recommended data;
HC–H (1) 62.0139G0.0002 259.4661G0.0010 Spectroscopy (1) 1994BAL/SMI

(2) 62.0138G0.0001 259.4659G0.0002 (2) 2004ZHA/CHE
HC–D (2) 62.4049G0.0001 261.1021G0.0002
DC–D (1) 62.9639G0.0002 263.4410G0.0008
(2) 62.9638G0.0001 263.4405G0.0003
(3) 62.9639G0.0001 263.4410G0.0002 (3) 1992BAL/STO
HC–H2 (1) 101.2 423.4 (1) Der. from (1) 1988LIA/BAR

DfH0 in ref.
(2) 101.7G0.5 425.6G2.0 (2) PI (2) 1988COS/HEL
HC
2 –H (1) 143.3 599.6
HC
3 ðH2 Þx –H2
xZ0 (1) 6.6 27.6 HP MS (1) 1983BEU/EHR
(2) 6.9G0.3 28.9G1.3 (2) 1987HIR
(3) 7.01G0.1 29.3G0.4 (3) 1989HIR/MOR(b)
1 (1) 3.1G0.1 13.0G0.4
(2) 3.3G0.2 13.8G0.8
2 (2) 3.2G0.2 13.4G0.8
3 (2) 1.72G0.1 7.2G0.4
4 (2) 1.64G0.1 6.9G0.4
5 (2) 1.54G0.1 6.4G0.4
6 (2) 0.88G0.1 3.7G0.4
7 (2) 0.80G0.1 3.3G0.4
8 (2) 0.61G0.1 2.6G0.4
DC
3 ðD2 Þx –D2
xZ0 (1) 7.1 29.7 Equilibrium (1) 1983BEU/EHR
(2) 6.9 28.9 (2) 1987HIR
(3) 7.12G0.3 29.8G1.3 (3) 1989HIR/MOR
1 (1) 3.4 14.2
(2) 3.31 13.8
(3) 3.48G0.2 14.6G0.8
2 (2) 3.16 13.2
(3) 3.35G0.2 14.0G0.8
3 (2) 1.72 7.2
(3) 1.84G0.1 7.7G0.4
4 (2) 1.64 6.9
(3) 1.82G0.1 7.6G0.4
5 (2) 1.54 6.4
(3) 1.74G0.1 7.3G0.4
6 (2) 0.88 3.7
(3) 0.90G0.1 3.8G0.4
7 (2) 0.80 3.3
(3) 0.81G0.1 3.4G0.4
BDEs of H(HG)–, Li(LiG)–, Na(NaG)–, K(KG)–, Rb(RbG)–, and Cs(CsG)–X Bonds 495
8 (2) 0.61 2.6

(3) 0.71G0.1 3.0G0.4
9 (3) w0.6 w2.5
HC
3 –Ne w0.4 w1.7 Review 1994HIR/YAM
HC
2 –Ar R24 R100 SIFT 1990BED/SMI
HC
3 ðArÞx –Ar
xZ0 (1) 6.69G0.2 28.0G0.8 (1) HP MS (1) 1989HIR/MOR(b)
(2) 7.5 31.4 (2) SIFT (2) 1990BED/SMI
(3) %6.7 %28.0 (3) SIFT (3) 1994PRA/HAN
1 (1) 4.56G0.1 19.1G0.4
2 (1) 4.28G0.1 17.9G0.4
3 (1) 2.45G0.1 10.3G0.4
4 (1) 2.27G0.1 9.5G0.4
5 (1) 2.18G0.1 9.1G0.4
6 (1) 1.56G0.1 6.5G0.4
N (4) w1.5 w6 (4) Extrapolate (4) This volume
DC
3 ðArÞx –Ar
xZ0 (1) 6.95G0.2 29.1G0.8 (1) HP MS 1989HIR/MOR(b)
1 (1) 4.80G0.1 20.1G0.4
2 (1) 4.44G0.1 18.6G0.4
3 (1) 2.44G0.1 10.2G0.4
4 (1) 2.27G0.1 9.5G0.4
5 (1) 2.17G0.1 9.1G0.4
6 (1) 1.56G0.1 6.5G0.4
HC–O2 K100.98G0.14 K422.50G0.59 Derived 2006RUS/PIN
HC–H2O 166.9 698.3 Derived from 1996NIST

DfH0 in ref.
HK–H w4.4 w18 Derived 1974GUR/KAR
DK–H 47.79G0.48 199.96G2.03 PES 1994SAR/HER
HK–Li 47.40G0.48 198.32G2.03 PES 1994SAR/HER
(continued)
Table 11.1 (continued) BDEs of H–, HC–, and HK–X Bonds
BDEs (boldfaceZ
recommended data;
HK–O2 (1) 57.3G2.2 239.7G9.2 (1) Der. from (1) 1996NIST

DfH0 in ref.
(2) 56.4G0.5 236.0G2.1 (2) Derived (2) 2003BLA/KAT
HK–H2O 14.4G1.0 60.2G4.2 Ion reactions 1994MIL/VIG
Note: The data on proton affinities (PA), electro affinities (EA) and ionization energies (IE) are available in
1988LIA/BAR, 1996NIST, and 1998HUN/LIA.
11.2 Li– and LiG–X bonds

11.2.1 Li–X bonds
Table 11.2.1 BDEs of Li–X Bonds
BDEs (boldfaceZ
recommended data;
Li–Li (1) 25.4G1 106.3G4.2 (1) Fluorescence (1) 1969VEL/OTT

(2) 26.4G1.5 110.4G6.3 (2) MS (2) 1976WU
(3) 25.1 105 (3) Review (3) 1979MIE/GIN
(4) 25.1 105.0 (4) Review (4) 1996SMI/YAT
(5) 22.7 95.3 (5) Spectroscopy (5) 1998ROS/CRO
SLix–Li
xZ1 66.1G2.0 276.6G8.4 MS 1994KUD/YOK
2 33.1G1.6 138.5G6.7
3 50.8G3.2 212.5G13.4
Li–Na (1) 20.7G1.5 86.6G6.3 (1) MS (1) 1977ZMB/WU

(2) 21.1 88.3 (2) LDF (2) 1982ENG/ENN
(3) 20.837G0.001 87.181G0.001 (3) Spectroscopy (3) 1991FEL
Li–K 19.6G1.0 82.0G4.2 MS 1977ZMB/WU

Li–Mg 16.1G1.5 67.4G6.3 MS 1980WU/IHL
Li–Ca 20.3G2.0 84.9G8.4 MS 1983WU/IHL
Li–Sm 46.2G4.5 193.3G18.8 MS 1983NEU/ZMB

–Eu 64.1G3.0 268.1G12.6
–Tm 66.0G3.5 276.1G14.6
–Yb 34.3G3.0 143.5G12.6
Li–Cu (1) 46.1G2.1 192.9G8.8 (1) MS (1) 1974NEU/ZMB(b)

(2) 45.9 191.9 (2) R2PI (2) 1997BRO/KNI
Li–Ag (1) 41.5G1.5 173.6G6.3 (1) MS (1) 1974NEU/ZMB(b)

(2) 47.5 198.8 (2) PI (2) 1995PIL/DUN
(3) 44.5 186.1 (3) R2PI (3) 1997BRO/KNI
Li–Au 68.0G1.6 284.5G6.7 MS 1974NEU/ZMB(b)
Li–Hg (1) 3.3 13.8 (1) Review (1) 1979HUB/HER

(2) 3.14G0.09 13.16G0.38 (2) Spectroscopy (2) 1995GRU/LI
Li–Al 18.2 76.1 R2PI 1994BRO/PIL
Li–Ga 31.8G3.5 133.1G14.6 MS 1975GUG/NEU

–In 22.1G3.5 92.5G14.6
Li–Ar (1) w1.9 w7.9 (1) Review (1) 1969SCH

(2) 1.87 w7.82 (2) Der. from the (2) 2002KER/MAV
data in ref.
LiF(100, surf.)–He 0.2 0.8 Review 1991VID/IHM

–Ne 0.3 1.3
–Ar 1.6G0.2 6.8G1.0
(continued)
Table 11.2.1 (continued) BDEs of Li–X Bonds
BDEs (boldfaceZ
recommended data;
Li–Kr w2.9 w12.1 Scattering 1974AUE

–Xe w2.9 w12.1
Li–H 56.893G0.001 238.039G Spectroscopy 1973WAY/STW

0.006
Li–D (1) 57.41 240.19 Spectroscopy (1) 1974STW/WAY

(2) 57.42 240.24 (2) 1975IHL/WU
LiF(100, surf.)–H 0.4, at 0 K 1.7 Scattering 1975FIN/FRA
Li–F 138G5 577G21 Review 1970DAR

–Cl 112G3 469G13
Li–Br (1) 101G5 423G21 (1) Review (1) 1970DAR

(2) 100.1G1 418.8G4.2 (2) Photofrag. (2) 1980SU/RIL
Li–I (1) 84G3 351G13 (1) Review (1) 1970DAR

Li–O (1) 82G4 343G17 (1) CL (1) 1970HER/HER

(2) 79.6G2.0 333.0G8.4 (2) Review (2) 1983PED/MAR
(3) 81.4G1.5 340.5G6.3 (3) Review (3) 1984HYN/STE
Li–S (1) 74.7G1.8 312.5G7.5 MS (1) 1981KIM/ASA

(2) 64.3G1.8 269.0G7.5 (2) 1994KUD/YOK
Li–Sb 41.3G2.4 172.7G10.0 MS 1982NEU/ZMB

Li–Si 67G6 280G25 MS 1978IHL/WU
Li–Pb 18.8G2 78.7G8 MS 1980NEU/IHL
Li–Bi (1) 34.1G1.4 142.7G6 MS (1) 1980NEU/IHL

(2) 35.7 149.4 (2) 1981PIT
(LiO)–H (1) 128.2 536.4 (1) Derived from (1) 1996NIST

DfH0 in ref.
Li–OH (1) 103.0 431.0
(2) 104.5G1 437.2G4 (2) Review (2) 1984HYN/STE
LiF(100, surf.)–H2 0.4 1.7 Review 1991VID/IHM
Li–O2 (1) 52.6 220.1 (1) Flames (1) 1984HYN/STE

(2) 70.7 296 (2) Revised (2) 1990PLE/RAJ
(LiO)–LiO 92G8 385G33 Review 1967DRO/GOL
(LiOH)–LiOH 58 243 Derived from 1996NIST

DfH0 in ref.
Li2–LiH 38.5 161.1 MS 2004WU/JON

–Li2H 38.0 159.0
LiI–LiI 41.6G0.3 174.2G1.3 MS 1998BEN/LES
LiF–AlF3 70.7 295.9 Derived 1985ZHU/NIK

–GaF3 65.4 273.6
–ScF3 75.4 315.5
–YF3 w70.7 w296
–LaF3 w60.9 w255
(continued)
Table 11.2.1 (continued) BDEs of Li–X Bonds
BDEs (boldfaceZ
recommended data;
Li–C2H5 51.3G1 214.6G8.4 Derived from 1996NIST

DfH0 in ref.
–nC4H9 47.3G11.5 197.9G16.3
Li(DME)x–DME, 13G2 54.4G8.4 Derived 2005SOH/LI

DMEZdimethyl ether
CH3OCH3
Li(DXE)x–(DXE), 14G4 58.6G16.7 Derived 2005SOH/LI

DXEZCH3O(CH2)2 OCH3
11.2.2 LiG–X bonds

Table 11.2.2 BDEs of LiG–X Bonds
BDEs (boldfaceZ
recommended data;
LiC–Li (1) 30G3 126G13 (1) Derived (1) 1974GUR/KAR

(2) 37.7G2.0 157.7G8.4 (2) MS (2) 1976WU
(3) 30.4 127.4 (3) Spectroscopy (3) 1983BER/GOL
(4) 32.8G1.5 137.3G6.3 (4) Derived from IP (4) 1996NIST
in ref.
LiC(Li)x–Li 27.8G4.3 116.3G18.0 MS 1976WU

xZ2
LiC(Li)x–Li
xZ4 (1) 27.7 115.8 Evaporation (1) 1994BRE/BUS
(2) 26.3 110.0 (2) 2001BRE/CAH
5 (1) 30.9 129.3
6 (1) 23.8 99.4
(2) 25.4 106.1
7 (1) 36.9 154.4

8 (1) 19.1 80.1
9 (1) 30.0 125.4
10 (1) 24.0 100.3
(2) 25.6 107.1
11 (1) 27.7 115.8
12 (1) 25.1 105.2
(2) 26.5 111.0
13 (1) 28.4 118.7
14 (1) 24.9 104.2
(2) 26.3 110.0
15 (1) 28.1 117.7
16 (1) 26.3 110.0
(2) 27.4 114.8
17 (1) 30.2 126.4
18 (1) 26.7 111.9
(2) 27.7 115.8
19 (1) 31.1 130.3
(2) 30.2 126.4
20 (1) 24.0 100.3
(2) 25.8 108.1
21 (1) 27.9 116.7
(2) 30.2 126.4
22 (1) 25.6 107.1
(2) 27.0 112.9
23 (1) 27.7 115.8
24 (1) 26.3 110.0
(2) 27.4 114.8
25 (1) 27.0 112.9
(2) 27.9 116.7
26 (1) 26.5 111.0
(2) 27.7 115.8
27 (1) 27.4 114.8
(2) 28.4 118.7
28 (1) 26.7 111.9
(2) 27.9 116.7
29 (1) 27.2 113.8
(2) 28.1 117.7
30 (1) 27.0 112.9
(2) 27.7 115.8
31 (1) 28.1 117.7
(2) 28.6 119.6
32 (1) 27.2 113.8
(2) 28.1 117.7
33 (1) 28.6 119.6
34 (1) 27.7 115.8
(2) 28.1 117.7
35 (1) 28.1 117.7
(2) 28.4 118.7
(continued)
Table 11.2.2 (continued) BDEs of LiG–X Bonds
BDEs (boldfaceZ
recommended data;
36 (1) 28.1 117.7

(2) 28.4 118.7
37 (1) 28.4 118.7
(2) 28.6 119.6
38 (1) 27.7 115.8
(2) 28.1 117.7
39 (1) 28.6 119.6
40 (1) 26.5 111.0
LiC(Li)x–Li2
xZ2 (1) 32.3 135.1 Evaporation (1) 1994BRE/BUS
4 (1) 34.1 142.8
(2) 32.7 137.0 (2) 2001BRE/CAH
5 (1) 30.2 126.4
(2) 31.8 133.1
6 (1) 36.2 151.5
(2) 37.8 158.2
7 (1) 31.6 132.2
8 (1) 24.7 103.2
9 (1) 29.5 123.5
(2) 31.1 130.3
10 (1) 27.2 113.8
(2) 28.8 120.6
11 (1) 28.4 118.7
(2) 29.7 124.5
12 (1) 29.1 121.6
(2) 30.4 127.4
13 (1) 28.8 120.6
(2) 30.2 126.4
14 (1) 28.6 119.6
(2) 30.0 125.4
15 (1) 30.0 125.4
(2) 31.1 130.3
16 (1) 32.1 134.1
(3) 33.2 138.9
17 (1) 32.5 136.0
(2) 33.4 139.9
18 (1) 33.4 139.9
19 (1) 30.7 128.3
(2) 31.6 132.2
20 (1) 27.4 114.8
(2) 29.3 122.5
21 (1) 29.1 121.6
(2) 30.4 127.4
22 (1) 28.8 120.6

(2) 30.2 126.4
23 (1) 29.5 123.5
(2) 30.7 128.3
24 (1) 28.8 120.6
(2) 30.9 129.3
25 (1) 29.1 121.6
(2) 31.1 130.3
26 (1) 29.5 123.5
(2) 31.6 132.2
27 (1) 29.7 124.5
(2) 31.8 133.1
28 (1) 29.5 123.5
(2) 31.6 132.2
29 (1) 29.7 124.5
(2) 31.4 131.2
30 (1) 30.7 128.3
(2) 31.8 133.1
31 (1) 30.9 129.3
(2) 32.3 135.1
32 (1) 31.4 131.2
(2) 32.3 135.1
33 (1) 31.8 133.1
(2) 32.3 135.1
34 (1) 31.4 131.2
(2) 32.1 134.1
35 (1) 31.8 133.1
(2) 32.3 135.1
36 (1) 32.1 134.1
(2) 32.5 136.0
37 (1) 31.6 132.2
(2) 32.3 135.1
38 (1) 31.8 133.1
(2) 32.3 135.1
39 (1) 30.7 128.3
N (3) 37.5 156.9 (3) Extrapolate (3) This volume
LiC(Li2O)x–Li
xZ0 27.7 115.8 MS 1997BRE/CAH
1 !23.0 !96.5
2 24.4 102.3
3 26.5 111.0
4 O27.7 O115.8
LiC–He (1) 4.0 16.9 (1) Ion mobility (1) 1983TAK

(2) 2.6 10.8 (2) Re-analysis (2) 1984VIE
(3) 2.5 10.6 (3) Review (3) 1984GAT
(continued)
BDEs (boldfaceZ
recommended data;
(4) 2.55 10.66 (4) Review (4) 1991PET/HAM

(5) w2.55 w10.66 (5) Review (5) 1994BIL/GUT
LiC–Ne (1) 4.2 17.7 (1) Ion mobility (1) 1983TAK

(2) 3.7 15.6 (2) Re-analysis (2) 1984VIE
(3) 3.5 14.7 (3) Review (3) 1984GAT
(4) 3.66 15.32 (4) Review (4) 1991PET/HAM
(5) w3.60 w15.08 (5) Review (5) 1994BIL/GUT
LiC–Ar (1) 7.9 33 (1) Spectroscopy (1) 1979HUB/HER

(2) 13.7 57.3 (2) Ion mobility (2) 1983TAK
(3) 8.1 33.9 (3) Review (3) 1984GAT
(4) 7.9G3.3 33G14 (4) CID (4) 1998WAL/SIE
LiC–Kr (1) 17.3 72.3 (1) Ion mobility (1) 1983TAK

(2) 10.1 42.2 (2) Re-analysis (2) 1984VIE
(3) 11.5 48.1 (3) Review (3) 1984GAT
LiC–Xe (1) 21.7 90.7 (1) Ion mobility (1) 1983TAK

(2) 13.5 56.4 (2) Re-analysis (2) 1984VIE
(3) 13.2 55.2 (3) Review (3) 1984GAT
LiC–H K1.0G2.0 K4.0G8.4 Derived from IP in 1996NIST

ref.
LiC–F (1) w2 w8 (1) Derived (1) 1974GUR/KAR

(2) 1.7G5 7G21 (2) Derived from IP (2) 1996NIST
in ref.
–Cl (1) w6 w25
(2) 15.7G3.6 66G15
–Br (1) w9 w38
(2) 10G2.5 41.8G10.6
–I (1) w11 w46
(2) 12.2G1.5 51.1G6.3
LiC–O (1) 9.9G4.8 41.5G20.3 (1) MS (1) 1972HIL

in ref.
LiC–OLi (1) 75.6G5.1 316.5G21.2
LiC–Sb 31.0G3.3 129.6G13.9 Derived from IP in 1996NIST

ref.
–Bi 21.7G12 91G50
LiC(LiH)x–LiH
xZ3 49.6 207.4 MS 1996ANT/DUG
4 45.9 192.0
5 45.7 191.0
6 47.7 199.7
7 48.0 200.7
8 45.7 191.0
9 46.4 193.9
10 46.1 193.0
11 45.9 192.0
12 48.0 200.7
13 44.0 184.3
14 44.7 187.2
15 46.8 195.9
16 45.2 189.1
Li3CðLiHÞx –LiH
xZ3 47.3 197.8 MS 1996ANT/DUG
4 47.3 197.8
5 46.6 194.9
6 47.7 199.7
7 46.8 195.9
8 46.6 194.9
9 45.9 192.0
10 47.5 198.8
11 46.4 193.9
12 45.4 190.1
13 45.9 192.0
14 45.9 192.0
LiC(LiH)x–(LiH)2
xZ3 49.1 205.5 MS 1996ANT/DUG
4 45.2 189.1
5 47.0 196.8
6 49.3 206.5
7 47.3 197.8
8 45.7 191.0
9 46.1 193.0
10 45.7 191.0
(continued)
BDEs (boldfaceZ
recommended data;
11 47.5 198.8
12 45.7 191.0
13 42.4 177.5
14 45.2 189.1
15 45.7 191.0
LiC
3 ðLiHÞx –ðLiHÞ2
xZ3 48.2 201.6 MS 1996ANT/DUG
4 47.5 198.8
5 48.0 200.7
6 48.2 201.6
7 47.0 196.8
8 46.1 193.0
9 47.0 196.8
10 47.5 198.8
11 45.4 190.1
12 45.0 188.1
13 45.4 190.1
LiC–H2 6.5 27.2 MS 1979WU
LiC(CO)x–CO
xZ0 13.6G3.1 57G13 CID 1998WAL/SIE
1 7.9G1.0 33G4
2 8.4G1.0 35G4
LiC–HCN 36.4 152.3 ICR 1978WOO/BEA
LiC(Li2O)x–Li2O
xZ3–8 67–74 280–309 Combined 1993BRE/CAH
LiC(H2O)x–H2O
xZ0 (1) 34.0 142.3 (1) Equilibrium (1) 1970DZI/KEB
(2) 32.7G3.3 137G14 (2) CID (2) 1997ROD/ARM
(3) 33.2G2 139G8 (3) Re-evaluated (3) 1998ROD/ARM
1 (1) 25.8 107.9
(2) 27.2G2.4 114G10

2 (1) 20.7 86.6
(2) 22.5G1.0 94G4
3 (1) 16.4 68.6
(2) 17.0G1.2 71G5
4 (1) 13.9 58.2
(2) 14.3G1.0 60G4
5 (1) 12.1 50.6
(2) 15.1G1.2 63G5
(ROH)LiC–H2O
RZCH3 26.5G1 111G4 Re-evaluated 1998ROD/ARM
C2H5 27.0G1.2 113G5
n-C3H7 26.3G1.4 110G6
(Val)LiC(H2O)x–H2O
xZ0 20.1–21.4 83.9–89.7 BIRD 2004LEM/WIL
1 14.3–15.2 59.8–63.7
2 14.1–14.3 58.9–59.8
ValZ
H3NCCH(iC3H7)C(O)OK
(AlaOEt)LiC(H2O)x–H2O
xZ0 19.6–20.8 82.0–86.8 BIRD 2004LEM/WIL
1 14.3–15.2 59.8–63.7
2 11.3–11.8 47.3–49.2
AlaOEtZ
H2NC(CH3)C(O)OC2H5
(Bet)LiC(H2O)x–H2O
xZ0 19.1–20.3 80.1–84.9 BIRD 2004LEM/WIL
1 15.9–17.1 66.6–71.4
2 12.9 54.0
BetZ(CH3)3NCCH2C(O)OK 12.9 54.0
(L)LiC–H2O
LZa-methyl-proline 17.4G0.1 73.0G0.5 BIRD 2005LEM/BUS
N-methyl-proline 17.2G0.2 72G1
Proline methyl ester 17.9G0.1 75.0G0.5
(continued)
BDEs (boldfaceZ
recommended data;
(Gln)LiC(H2O)x–H2O
xZ0 (1) 15.3G0.2 64G1 BIRD (1) 2005LEM/BUS(b)
1 (2) 9.3G0.2 39G1 (2) 2006LEM/WU
GlnZglutamine
(AsnOMe)LiC(H2O)x–H2O
1 (2) 8.1G0.7 34G3 (2) 2006LEM/WU
AsnZasparagine
(GlnOMe)LiC(H2O)x–H2O
1 (2) 6.9G0.5 29G2 (2) 2006LEM/WU
GlnZglutamine
(AsnOEt)LiC(H2O)x–H2O
1 (2) 8.6G0.2 36G1 (2) 2006LEM/WU
AsnZasparagine
LiC(NH3)x–NH3
xZ0 (1) 39.1 163.6 (1) ICR (1) 1978WOO/BEA
(2) 37.3G2 156G8 (2) Re-analyzed (2) 2004ROD/ARM
1 (3) 33.1G1.3 138.5G5.4 (3) HP MS (3) 1978CAS/HOL
2 (3) 21.0G0.3 87.9G1.3
3 (3) 16.5G0.3 69.0G1.3
4 (3) 11.1G0.3 46.4G1.3
5 (3) 9.3G0.6 38.9G2.5
LiC–PH3 28G1 117G4 Ion reactions 1977WED/ALL
LiC–AlF4 137.3 574.5 Derived 1985ZHU/NIK

–GaF4 139.5 583.6
–ScF4 144.5 604.5
–YF4 w139.8 w585
–LaF4 w139.8 w585
LiC–CH4 31 130 ICR 1975STA/BEA
LiC–CH2F2 26.5 111 ICR 1975STA/BEA

–CH3F 31 130
–CH2Cl2 29 121
–CH3Cl 25 105
LiC–CH3OH (1) 38.1 159.4 (1) ICR (1) 1978WOO/BEA

(2) 37.5G2.0 156.8G8.4 (2) GIB MS (2) 1997ROD/ARM(b)
(L)LiC–CH3OH
LZH2O 32.3G1.2 135G5 Re-evaluated 1998ROD/ARM
C2H5OH 28.2G1.2 118G5
n-C3H7OH 26.8G1.4 112G6
LiC–HC(O)H 36.0 150.6 ICR 1978WOO/BEA
LiC–CH3CN 43 180 ICR 1975STA/BEA

–CH3NO2 39.5 165
–CH3C(O)H 41.3 173
–CH3C(O)OH 41.5 174
LiC–CH3NH2 41.1 172 ICR 1978WOO/BEA

–(CH3)2NH 42.2 177
–(CH3)3N 42.1 176
LiC–CH3CH2F 34 142 ICR 1975STA/BEA
LiC–C2H5OH (1) 39.6G1.6 165.5G6.5 (1) GIB MS (1) 1997ROD/ARM(b)

(L)LiC–C2H5OH
CH3OH 31.1G1.2 130G5
n-C3H7OH 31.1G1.6 130G7
(continued)
BDEs (boldfaceZ
recommended data;
i-C3H7OH 31.1G1.6 130G7

n-C4H9OH 31.8G1.6 133G10
LiC(DME)x–DME, DMEZ
dimethyl ether, CH3OCH3
xZ0 (1) 39.5 165 (1) ICR (1) 1978WOO/BEA
(2) 39.9G2.4 167G10 (2) CID (2) 1996MOR/GLE
1 (2) 28.2G1.4 118G6
2 (2) 20.8G1.7 87G7
(3) 24.4G0.6 102.1G2.5 (3) FT-ICR (3) 2000JAR/MIL
3 (2) 15.8G2.4 66G10
LiC–CH3SCH3 32.8 137 ICR 1975STA/BEA
LiC–CH3CCH 28.5 119 ICR 1975STA/BEA

–CH3CHCH2 23 96
LiC–n-C3H7OH (1) 41.3G2.1 172.8G8.6 (1) GIB MS (1) 1997ROD/ARM(b)

(L)LiC–n-C3H7OH
CH3OH 30.8G1.4 129G6
C2H5OH 33.2G1.6 139G7
n-C4H9OH 29.4G2.6 123G11
LiC–i-C3H7F 35.5 149 ICR 1975STA/BEA

–i-C3H7Cl 30 126
–i-C3H7Br 30.5 128
–i-C3H7I 29.5 123
LiC–i-C3H7OH (1) 41.8G1.8 174.9G7.5 (1) GIB MS (1) 1997ROD/ARM(b)

(L)LiC–i-C3H7OH
LZC2H5OH 33.2G1.6 139G7 Re-evaluated 1998ROD/ARM
i-C3H7OH 29.4G1.6 123G7
n-C4H9OH 28.4G1.6 119G7
LiC–CH3C(O)CH3 44.5 186 ICR 1975STA/BEA
LiC–CH3C(O)OCH3 43.5 182 ICR 1975STA/BEA

–(CH3)2NCHO 50 209
LiC–(CH3)2CCH2 28 117 ICR 1975STA/BEA
LiC–n-C4H9OH (1) 40.9G2.0 171.3G8.2 (1) GIB MS (1) 1997ROD/ARM(b)

(L)LiC–n-C4H9OH
LZC2H5OH 35.6G2.1 149G9 Re-evaluated 1998ROD/ARM
n-C3H7OH 30.8G2.8 129G12
LiC–i-C4H9OH 40.9G1.8 171.1G7.6 Re-evaluated 1998ROD/ARM

–s-C4H9OH 42.1G2.2 176.2G8.9
–t-C4H9OH 43.0G2.4 180.1G10.2
LiC(DEE)x–DEE,
DEEZdiethyl ether, EtOEt
xZ0 (1) 41 171.5 (1) Derived 2000JAR/MIL
2 (2) 15.0G0.4 62.8G1.7 (2) FT-ICR
LiC(DXE)x–(DXE),
DXEZCH3O(CH2)2OCH3
xZ0 58.6G4.3 245G18 CID 1996RAY/FEL
1 33.0G2.9 138G12
LiC–C4H6 R31 R130 ICR 1977WED/ALL
LiC–cyclo-C6H12 24 100 ICR 1975STA/BEA
(continued)
BDEs (boldfaceZ
recommended data;
LiC(C6H6)x–C6H6
xZ0 (1) 37.9 158.6 (1) ICR (1) 1978WOO/BEA
(2) 39.3G3.3 164.4G13.6 (2) CID (2) 2000AMI/ARM
1 (2) 24.8G1.7 103.7G7.1
LiC(C6H5F)x–C6H5F
xZ0 35.8G4.9 149.6G20.3 CID 2002AMU/ROD
1 22.0G0.8 92.1G3.5
LiC(C6H5OH)x–C6H5OH
xZ0 43.4G3.9 181.6G16.3 CID 2002AMU/ROD
1 26.6G0.9 111.5G3.7
LiC(C6H5NH2)x–C6H5NH2
xZ0 46.5G5.4 194.5G22.5 CID 2003ARM/ROD(b)
1 29.8G1.0 124.8G4.2
LiC(C6H5CH3)x–C6H5CH3
xZ0 44.6G3.9 186.4G16.3 CID 2002AMU/ROD(b)
1 27.2G0.8 113.7G3.4
LiC(C6H5OCH3)x–C6H5OCH3
xZ0 44.7G4.4 187.2G18.5 CID 2003AMU/ROD(c)
1 28.3G1.0 118.5G4.0
LiC–C7H7Cl R37.3 R156 ICR 1977WED/ALL

–C7H7Br R14.7 R61.5
LiC(THF)x–THF, THFZ
tetrahydrofuran
xZ0 (1) 40 167.4 (1) Derived 2000JAR/MIL
2 (2) 24.1G0.6 100.8G2.5 (2) FT-ICR
LiC–adenine (1) 54.0 226 (1) VG-MS (1) 1996CER/WES

(2) 54.0G1.5 226.1G6.2 (2) CID (2) 2000ROD/ARM
–cytosine (1) 55.4 232

–guanine (1) 57.1 239
LiC–uracil, substituted
O X'
N
3
X N1 O
6 5
XZH X 0 ZH (1) 50.4 211 (1) VG-MS (1) 1996CER/WES

(2) 51.1G1.5 213.8G6.1 (2) GIB MS (2) 2005YAN/ROD
1-Me H (2) 56.5G1.7 236.4G7.2
(3) 55.8G1.7 234G7 (3) GIB MS (3) 2004ROD/ARM
H Me (2) 53.4G1.6 233.4G6.7
(3) 52.8G1.7 221G7
H 5-Me H (1) 51.4 215
(2) 50.8G1.7 212.4G7.0
H 6-Me H (2) 53.7G1.6 224.5G6.6
(3) 53.1G1.7 222G7
Me Me (2) 57.9G1.6 242.3G6.6
(3) 57.4G1.9 240G8
H 5,6-diMe H (2) 56.5G1.6 236.2G6.5
(3) 55.9G1.7 234G7
H 5-F H (4) 47.5G1.1 198.9G4.8 (4) GIB MS (4) 2004YAN/ROD
H 5-Cl H (4) 58.1G2.0 242.9G8.2
H 6-Cl H (4) 54.9G1.9 229.6G7.8
H 5-Br H (4) 56.4G1.3 235.9G5.3
LiC–thiouracil, substituted
A
NH
2 3
NH1 4 A'
6 5
AZS A 0 ZO 51.7G1.4 216.2G5.7 CID 2006YAN/ROD

O S 50.9G1.2 213.1G5.0
S S 41.8G1.1 175.1G4.5
LiC–thiouracil, substituted
S
NH
2 3
NH1 4 O
6 5
CH3
5-CH3 51.0G1.3 213.3G5.5 CID 2006YAN/ROD
6-CH3 53.1G1.5 222.0G6.2
(continued)
BDEs (boldfaceZ
recommended data;
LiC–1HK1,2,4-triazole 46.3G1.9 193.7G7.8 GIB MS 1999ROD/ARM

–2H-1,2,4-triazole 33.0G1.7 138.2G7.3
–2H-tetrazole 36.7G1.6 153.4G6.6
LiC–pyrrole 43.3G4.0 181.1G16.7 CID 2002HUA/ROD

–1-methyl-pyrrole 45.4G4.0 189.8G16.9
–pyrazole 45.2G3.9 189.2G16.2
–1-methyl-pyrazole 50.0G4.4 209.4G18.5
–imidazole 51.0G2.3 213.2G9.7
–1-methyl-imidazole 58.5G4.9 244.6G20.3
LiC–pyridine (1) 44 184 (1) ICR (1) 1975STA/BEA

(2) 43.3G3.6 181G15 (2) GIB MS (2) 2000ROD/AMB(b)
LI+ (3) 43.7G3.5 183.0G14.5 (3) GIB MS (3) 2001ROD
N
LiC–Y-pyridine
LI+ Y
N
YZo-methyl 46.9G1.6 196.2G6.7 GIB MS 2001ROD
m-methyl 47.5G3.5 198.7G14.8
p-methyl 47.4G3.2 198.2G13.5
LiC–Y-pyridine
LI+ Y
N
YZo-NH2 56.8G5 237.8G21.1 GIB MS 2001ROD(b)
m-NH2 48.2G2.4 201.7G10.0
p-NH2 51.8G4.8 216.9G20.2
LiC–pyridazine (1) 55.9G2.6 234G11 GIB MS (1) 2000ROD/AMB(b)

(2) 56.7G2.5 237.2G10.6 (2) 2000AMU/ROD
–pyrimidine (1) 36.8G2.6 154G11
(2) 37.4G2.5 156.3G10.5
–pyrazine (1) 35.6G3.1 149G13
(2) 36.1G3.2 151.1G13.2
–1,3,5-triazine (1) 30.4G2.6 127G13

(2) 30.9G3.0 129.4G12.6
LiC(L)x–L, LZindole
xZ0 48.9G2.1 204.5G8.7 CID 2005RUA/YAN
1 28.6G1.1 119.6G4.8
LiC–(12c-4), 12c-4Z 90.3G12.2 378G51 CID 1996RAY/FEL

12-crown-4, or c-(CH2O)4
LiC(C10H8)x–C10H8
xZ0 45.4G2.9 189.8G12.2 CID 2003AMU/ROD
1 27.0G1.0 113.1G4.3
LiC(PET)x–PET
xZ0 10.5 43.9 MALDI 1999GID/WYT
2 18.9 79.1
4 21.0 87.9
6 26.5 110.9
PETZpoly(ethylene
terephthalate) oligomer
LiC–cyclo-hexane 24 100 ICR 1975STA/BEA
LiC–L, a-amino acids

LZGly (glycine) (1) 41.6G3 174.1G12.6 (1) Kinetics (1) 2003FEN/GRO
(2) 52.6G2.2 220G9 (2) CID (2) 2004OD/ARM
Ala (alanine) (1) 43.2G3 180.7G12.6
Asp (asparagine) (1) 51.5G3 215.5G12.6
Cys (cysteine) (1) 45.2G3 189.1G12.6
Glu (glutamic acid) (1) 52.9G3 221.3G12.6
Ile (isolecine) (1) 45.3G3 189.5G12.6
Leu (leucine) (1) 45.2G3 189.1G12.6
Met (methionine) (1) 50.4G3 210.9G12.6
(2) 76.7G4.1 321G17
Phe (phenylalanine) (1) 48.4G3 202.5G12.6
Pro (proline) (1) 47.5G3 198.7G12.6
(2) 66.7G2.4 279G10
(3) 67.4G2.4 282G10 (3) CID (3) 2006MOI/ARM
Ser (serine) (1) 48.6G3 203.3G12.6
Thr (threonine) (1) 49.9G3 208.8G12.6
(continued)
BDEs (boldfaceZ
recommended data;
Trp (tryptophan) (1) 52.3G3 218.8G12.6

Tyr (tyrosine) (1) 49.0G3 205.0G12.6
Val (valine) (1) 45.0G3 188.3G12.6
LiC–Aze 60.5G3.3 253G14 CID 2006MOI/ARM

–Pip 65.5G3.8 274G16
AzeZazetidine-2-carboxylic
acid
PipZpipecolic acid
LiC–L 85.1G6.7 356.0G28.0 ES/MS/MS 2005HAM/COL

–L2 33.0G0.9 138.0G3.9
LZmonopentadecanoin

–L2 33.0G0.2 138.0G1.9
LZ1,3-dipentacanoin

–L2 31.8G0.2 133.1G1.0
LZ1-stearin-2-palmitin
glycerol
LiK–Li 21.2 88.7 Spectroscopy 1979HUB/HER
11.3 NaK, NaCK and NaK–X bonds

11.3.1 Na–X bonds
Table 11.3.1 BDEs of Na–X Bonds
BDEs (boldfaceZ
recommended data;
Na–Na (1) 17.49 73.19 (1) Spectroscopy (1) 1979HUB/HER

(2) 18.11 75.78 (2) LIF (2) 1983VER/BAH
(3) 18.2 76.1 (3) Review (3) 1988LEE/BYL

(4) 17.7 74.2 (4) Review (4) 1996SMI/YAT
(5) 17.879G0.140 74.805G0.586 (5) Spectroscopy (5) 1996JON/MAL
Na2–Na %12.2 %50.8 LIF 1983GOL/GRE
NaO–Na (1) 57.8G2 242G8 (1) Review (1) 1984LAM/HIL

(2) 54.5G2 228G8 (2) Re-analysis (2) 1991STE/SCH
O2–Na 58.1G2 243G8 Re-analysis 1991STE/SCH
Na2O–Na 34.1 142.8 PD 1997HAM/KOR
Na–Li (1) 20.7G1.5 86.6G6.3 (1) MS (1) 1977ZMB/WU

(2) 21.1 88.3 (2) LDF (2) 1982ENG/ENN
(3) 20.837G0.001 87.181G0.001 (3) Spectroscopy (3) 1991FEL
Na–K (1) 15.5G1.0 64.9G4.2 Spectroscopy (1) 1977ZMB/WU

(2) 15.773G0.002 65.994G0.008 (2) 1979BRE/ENG
(3) 15.97 66.80 (3) 1999ZEM/STW
Na–Rb (1) 15.269G0.006 63.887G0.024 Spectroscopy (1) 1991WAN/KAJ

(2) 14.4 60.2 (2) 2001ZEM/STW
Na–Cs 15.1G0.3 63.2G1.3 Spectroscopy 1984DIE/WEI
Na–Cu 42.1G4 176.1G16.7 MS 1973PIA/GIN
Na–Ag 31.8G3 133.1G12.6 Recommended 1979PEL/PIA
NaCl(surf.)–Ag 5.5 (phys) 23.2 SEM 1976DON/ROB
(continued)
Table 11.3.1 (continued) BDEs of Na–X Bonds
BDEs (boldfaceZ
recommended data;
NaCl(surf.)–Ag (1) 9.2 38.6 SEM (1) 1963WAL/RHO

(2) 14.5 60.8 (2) 1976DON/ROB
Na–Au 51.4G3 215.1G12.6 MS 1977PIA/GIN
NaF(surf.)–Au 1.8G1.2 (phys) 7.7G4.8 SEM 1973ROB/ROB
NaF(surf.)–Au 14.5G2.3 60.8G9.6 SEM 1973ROB/ROB
NaCl(surf.)–Au 6.2G1.2 (phys) 26.1G4.8 SEM 1973ROB/ROB
NaCl(surf.)–Au 15.7G2.3 65.6G9.6 SEM 1973ROB/ROB
Na–Cd 2.4 10.2 Spectrometry 1973ZOL
Na–Hg (1) 2.5 10.5 (1) Spectrometry (1) 1973ZOL

(2) 2.6 10.8 (2) Scattering (2) 1982HUN/MAI
(3) 2.6 10.8 (3) Spectroscopy (3) 1991CZU/REB
FNa(100, surf.)–He 0.17 0.73 Review 1991VID/IHM
ClNa(100, surf.)–He (1) 0.14 0.59 (1) Review (1) 1991VID/IHM

(2) 0.16 0.68 (2) HAS (2) 1997BEN/GLE
Na–Ne (1) w1.3 w5.4 Spectrometry (1) 1977BIT/LAP

(2) w0.9 w3.8 (2) 1999GIL/TRA
Na–Ar w1.0 w4.2 Review 1999GIL/TRA

–Kr w1.08 w4.53
NaCl–Ar w2 w8 Spectroscopy 1998MIZ/END
Na–Xe w1.22 w5.12 Review 1999GIL/TRA
ClNa(100, surf.)–Xe 4.6G0.5 19.2G2 HAS 1998GER/GRA
Na–H (1) 46.6G1.1 195.1G4.8 (1) Spectrometry (1) 1983YAN/NEL

(2) 44.38G0.07 185.69G0.29 (2) Spectrometry (2) 1983NED/GIR
(3) 44.68 186.96 (3) Review (3) 1991STW/ZEM
NaF(100, surf.)–H (1) 0.4, at 0 K 1.7 (1) Scattering (1) 1975FIN/FRA

(2) 0.4 1.7 (2) Review (2) 1991VID/IHM
NaCl(100, surf.)–H (1) 0.5, at 0 K 2.0 (1) Scattering (1) 1982BAE/HOI

(2) 0.5 2.2 (2) Scattering (2) 1985IAN/SCO
(3) 0.5 2.2 (3) Review (3) 1992VID/IHM
–D (2) 0.7 2.9
Na–F 114.1 477.3 Spectroscopy 1979HUB/HER
Na–Cl 98.5G2 412.1G8.4 Photofrag. 1980SU/RIL(b)
Na2–Cl 98.9 413.8 PI 1983PET/DAO
Na–Br (1) 86.8 363.1 Photofrag. (1) 1979VAN/VRI

(2) 86.8G1 363.1G4.2 (2) 1980SU/RIL
Na–I (1) 73.3 306.8 Photofrag. (1) 1979VAN/VRI

(2) 72.7G0.5 304.2G2.1 (2) 1979SU/RIL
(continued)
Table 11.3.1 (continued) BDEs of Na–X Bonds
BDEs (boldfaceZ
recommended data;
Na–O (1) 67G3 280G13 (1) CL (1) 1970HER/HER

(2) 61.2G4.0 256.1G16.7 (2) Review (2) 1983PED/MAR
(3) 60.2G1 252G4 (2) Review (3) 1984LAM/HIL
(4) 64.5G1 270G4 (3) Re-analysis (4) 1991STE/SCH
Na2–O 98.6 412.5 PI 1983PET/DAO
(NaO)–H (1) 119.4 499.6 (1) Derived from (1) 1996NIST

DfH0 in ref.
Na–OH (1) 81.8 342.3
(2) 78.9G2 330.1G8 (2) Review (2) 1984HYN/STE
Na–NaCl 19.7 82.4 PI 1983PET/DAO
Na–O2 (1) !44 !184 (1) Review (1) 1984HYN/STE

(2) !47.8 !200 (2) MS (2) 1993HIL/LAU
ClNa(100, surf.)–para-H2 (1) 0.7G0.2 3.0G0.8 (1) Induced IR (1) 1993DAI/EWI

(2) 0.7G0.2 3.0G1.0 (2) FTIR (2) 1998BRI/PIC
–ortho-H2 (2) 0.9G0.2 3.7G1.0
ClNa(100, surf.)–HD 0.9G0.2 3.6G0.8 Induced IR 1993DAI/EWI

–D2 0.8G0.2 3.5G0.8
NaCl(100, surf.)–HD 0.4G0.1 1.7G0.5 Induced IR 1994DAI/EWI
NaCl(surf.)–CO 3.1G0.7 13G3 IR 1987RIC/BAU
NaCl(100, surf.)–H2O 13.9–15.1 58–63 HAS 1995BRU/GLE

NaCl(100, surf.)–CO2 0.7G0.1 (phys) 3.0G0.1 FTIR 1992HEI/KAM
NaCl(100, surf.)–CO2 7.7G0.3 32.4G1.1 FTIR 1992HEI/KAM
NaOH–CO2 w29G5 w121G21 Derived 1991HIL/LAU
NaCl(100, surf.)–OCS 6.0 25.1 HAS 1996GLE/TOE
(NaOH)–NaOH 50.5 211 Derived from DfH0 1996NIST

in ref.
NaF–AlF3 81.5 341.2 Derived 1985ZHU/NIK

–GaF3 75.4 315.5
–ScF3 78.2 327.0
–YF3 w80.0 w334.6
–LaF3 w76.0 w317.8
NaBr–DyBr3 57.5G5 240.6G21 MS 2005HIL/LAU

NaI–DyI3 50G10 209G42
NaDyBr4–NaDyI4 4.9G5 21G21 MS 2005HIL/LAU

NaDyBr4–NaDyBr2I2 1.9G5 8G21
Na(DME)x–DME, 1G1 4G4 Derived 2005SOH/LI

DMEZdimethyl ether,
CH3OCH3
Na(DXE)x–(DXE), 3G1 13G4 Derived 2005SOH/LI

DXEZ
CH3O(CH2)2OCH3
11.3.2 NaC– X bonds

Table 11.3.2 BDEs of NaD–X Bonds
BDEs
(boldfaceZrecommended
data; reference in parentheses)
NaC–Na (1) 23.5 98.5 (1) PI (1) 1981LEU/HOF

(2) 24.4 102.1 (2) Review (2) 1988LEE/BYL
(3) 23.5 98.3 (3) Review (3) 1996SMI/YAT
in ref.
NaC(Na)x–Na
xZ1 31.8 133.1 PD 1989BRE/CAH
2 13.4 56.0
3 20.1 83.9
4 13.8 57.9
5 26.3 110.0
6 17.5 73.3
7 30.2 126.4
9 18.0 75.3
10 15.7 65.6
11 20.8 86.8
12 16.6 69.5
13 18.2 76.2
14 15.9 66.6
15 18.9 79.1
16 19.8 83.0
17 20.8 86.9
18 19.6 82.0
19 21.4 89.7
22 17.1 71.4
23 18.9 79.1
24 18.2 76.2
25 19.4 81.0
26 18.2 76.2
27 20.1 84.1
28 19.8 83.0
29 20.5 85.9
30 19.4 81.0
31 21.0 87.8
32 21.2 88.8
33 21.9 91.6
34 19.6 82.0
35 20.8 86.8
NaC(Na)x–Na2
xZ2 (1) 17.1 71.5 (1) PD (1) 1989BRE/CAH
4 (1) 21.9 91.6
6 (1) 30.2 126.4
8 (1) 13.8 57.7
10 (1) 19.4 81.2
12 (1) 18.7 78.2
NaC–Li 22.9G0.9 95.8G3.9 Derived from IP in 1996NIST

ref.
NaC–He (1) 2.3 9.5 (1) Ion mobility (1) 1983TAK

(2) 1.7 7.0 (2) Re-analysis (2) 1984VIE
(3) 2.1 8.7 (3) Review (3) 1984GAT
(4) 1.80 7.55 (4) Review (4) 1991PET/HAM
(5) w1.70 w7.13 (5) Review (5) 1994GIL/GUT
NaCClK(surf.)–He 6.2G0.5 26.1G1.9 Scattering 1994HOC/TOE
NaC–Ne (1) 2.4 10.1 Review (1) 1984VIE

(2) 2.6 11.1 (2) 1984GAT
(3) 2.52 10.54 (3) 1991PET/HAM
(4) w2.38 w9.04 (4) 1999GIL/TRA
NaC–Ar (1) 5.8 24.1 (1) Ion mobility (1) 1983TAK

(2) 5.3 22.0 (2) Re-analysis (2) 1984VIE
(3) 4.6 19.2 (3) Review (3) 1984GAT
(4) 4.5G2 19G8 (4) CID (4) 1998WAL/SIE
(5) w4.3 18.1 (5) Review (5) 1999GIL/TRA
NaC–Kr (1) 7.5 31.2 (1) Ion mobility (1) 1983TAK

(2) 6.0 25.0 (2) Re-analysis (2) 1984VIE
(3) 5.7 24.0 (3) Review (3) 1984GAT
(4) w5.96 w24.9 (4) Review (4) 1999GIL/TRA
NaC–Xe (1) 10.4 43.6 (1) Ion mobility (1) 1983TAK

(2) 6.8 28.6 (2) Re-analysis (2) 1984VIE
(continued)
Table 11.3.2 (continued) BDEs of NaC–X Bonds
BDEs
(3) 6.9 28.7 (3) Review (3) 1984GAT

(4) w6.84 w28.6 (4) Review (4) 1999GIL/TRA
NaC–Cl (1) 10.1 42.5 (1) Review (1) 1979HUB/HER

(2) 4.8G2.4 20.3G10 (2) Derived from IP (2) 1996NIST
in ref.
NaC
2 –Cl 115.5 483.3 PI 1983PET/DAO
–ClK 127.8 534.7
NaC–Br (1) 13.1 55.0 (1) Review (1) 1979HUB/HER

in ref.
–I (1) 11.5 48.2
(2) 15.5G0.7 64.8G3.0
NaC–O (1) 19.3 80.9 (1) Derived (1) 1979HUB/HER

(2) 8.8G4.5 37G19 (2) Derived from IP (2) 1996NIST
in ref.
NaC
2 –O 94.2 394.1 PI 1983PET/DAO
–OK 177.2 741.4
NaC–NaO 56.8 237.7 PI 1983PET/DAO
NaC(H2)x–H2
xZ0 2.45G0.2 10.4G0.8 Equilibrium 1994BUS/KEM
1 2.25G0.2 9.4G0.8
NaC(NaF)x–NaF
xZ0 (1) 62.7 262 (1) MS (1) 1986TSI/GUS
(2) 53.5 224 (2) Combined (2) 2005BRE/CAH
1 (1) 47 197
(2) 39.0 163
2 (2) 55.6 233
3 (2) 48.7 204
4 (2) 45.4 190
5 (2) 51.9 217
6 (2) 46.4 194
7 (2) 50.0 209
8 (2) 50.3 210
9 (2) 45.0 188
10 (2) 48.0 201
NaC(NaF)x–(NaF)2
xZ0 41.7 175 Combined 2005BRE/CAH
1 43.8 183
2 53.5 224
3 43.1 180
4 46.4 194
5 47.5 199
6 45.7 191
7 49.3 206
8 44.3 185
9 41.9 176
NaC(NaF)x–(NaF)3
1 52.6 220
2 58.8 246
3 55.4 232
4 53.0 222
5 57.7 241
6 56.0 234
7 54.4 228
8 52.3 219
NaC(NaF)x–(NaF)4
1 40.4 169
2 53.3 223
3 44.0 184
4 45.4 190
5 50.3 210
(continued)
BDEs
6 43.4 181
7 44.7 187
NaC–NaCl 42.4 177 MS 1959CHU
NaC–HCl 12.2 51.0 FA 1980PER/ROW
NaC(N2)x–N2
xZ0 8.0 33.5 FA 1980PER/ROW
1 5.3 22.2
NaC(CO)x–CO
xZ0 (1) 12.9 54 (1) HP MS (1) 1983CAS/PET
(2) 7.4G1.9 31G8 (2) GIB MS (2) 1998WAL/SIE
1 (1) 7.9 33
(2) 6.0G0.7 25G3
NaC–NaOH 45.7G2.6 191G13 Derived 1985KUD/BUT

–(NaOH)2 41.8G7.2 175G30
–(NaOH)3 43.7G9.6 183G40
NaC–Na2O 67.6G4.3 283G18 Review 1998ELL/AHL
NaC(CO2)x–CO2
xZ0 (1) 13.7 57.3 (1) FA (1) 1980PER/ROW
(2) 15.9 66.5 (2) HP MS (2) 1984PET/MAR
1 (2) 11.0 46.0
2 (2) 9.7 40.6
3 (2) w8.4 w35
NaC(H2O)x–CO2
xZ1 12.6 52.7 HP MS 1984PET/MAR
2 10.3 43.1
3 w7.2 w30
NaC(SO2)x–SO2
xZ0 (1) 18.9 79.1 (1) FA (1) 1980PER/ROW
1 (2) 16.6 69.5
2 (2) 14.3 59.8 (2) HP MS (2) 1983CAS/PET
3 (2) w12.3 w52
NaC(H2O)–SO2 16.9 70.7 HP MS 1984UPS/SCH
NaC–O3 12.5 52.3 FA 1982ROW/VIG
NaC(H2O)x–H2O
xZ0 (1) 24.0 100.4 (1) HP MS (1) 1970DZI/KEB
(2) 24.1G1.4 101G6 (2) MS (2) 1982BUR/HAY
(3) 22.6G1.8 94.6G7.5 (3) CID (3) 1994DAL/TJE
(4) 24.7G1.8 103.3G7.5 (4) CID (4) 2002ARI/SHO
(5) 21.8G1.5 91.2G6.3 (5) CID (5) 2004AMI/ARM
1 (1) 19.8 82.8
(3) 19.6G1.4 82.0G5.8
2 (1) 15.8 66.1
(3) 16.8G1.4 70.4G5.8
(7) 16.1 67.4
3 (1) 13.8 57.7
(3) 13.1G1.4 55.0G5.8
(6) 12.6G0.2 52.7G0.8 (6) HP MS (6) 1978CAS/HOL
(7) 12.7 53.1 (7) Electron swarm (7) 1996BLA/KLA
4 (1) 12.3 51.5
(8) 10.7 44.8 (8) HP MS (8) 1976TAN/LIA
5 (1) 10.7 44.8
NaC(SO2)–H2O 20.2 84.5 HP MS 1984UPS/SCH
NaC(NaF)(H2O)x–H2O
xZ0 17.0 71.1 Equilibrium 2004BLA/PES
1 15.9 66.6
(continued)
BDEs
NaC(NaCl)(H2O)x–H2O
1 16.8 70.3
2 13.4 56.1
3 12.7 53.1
NaC(NaBr)(H2O)x–H2O
1 17.2 72.0
NaC(NaI)(H2O)x–H2O
xZ0 (1) 19.3G1 80.8G4.2 (1) Equilibrium (1) 2003ZHA/CAR
(2) 18.0 75.3 (2) Equilibrium (2) 2004BLA/PES
1 (1) 19.2G1 80.3G4.2
(2) 17.2 72.0
2 (1) 13.4G1 56.1G4.2
(2) 14.0 58.6
3 (1) 13.6G1 56.9G4.2
(2) 13.2 55.2
4 (1) 11.8G1 49.4G4.2
5 (1) w11 w46
NaC(NaI)2(H2O)x–H2O
xZ0 16.7G1 69.9G4.2 Equilibrium 2003ZHA/CAR
1 17.8G1 74.5G4.2
NaC(CO2)(H2O)x–H2O
xZ0 (1) 22.9 95.8 (1) FA (1) 1980PER/ROW
(2) w20.7 w86.6 (2) HP MS (2) 1984PET/MAR
1 (2) w17.4 w72.8
2 (2) w12.4 w51.9
NaC(NO2)(H2O)x–H2O
1 15.9 66.5
NaC(NO3)(H2O)x–H2O
1 16.1 67.4
NaC(NH3)–H2O 19.8G1.1 83.0G4.8 CID 2001AMI/ARM
(L)NaC–H2O
LZCH3OH 19.8G1.1 83.0G4.8 CID 2001AMI/ARM
C2H5OH 18.4G1.6 77.1G6.8
CH3OCH3 18.0G1.1 75.2G4.8
C6H6 18.2G1.4 76.2G5.8
(L)NaC–H2O
LZAlanine ethyl ester 16.0G0.3 66.9G1.3 BIRD 2003LEM/BUS
Betaine 14.9G0.3 62.3G1.3
Maiba 15.1G0.3 63.2G1.3
Sarcosinr ethyl ester 16.0G0.3 66.9G1.3
Valine 15.9G0.2 66.5G0.8
(Gly)NaC(H2O)x–H2O
GlyZglycine
xZ0 (1) 17.9G1.3 75.1G5.3 (1) CID (2) 2005YE/MOI
1 (1) 13.5G1.8 56.5G7.4
2 (1) 9.5G1.5 39.7G6.2
3 (1) 8.5G2.0 35.6G8.5
(L)NaC–H2O
LZa-methyl-proline 11.5G0.2 48G1 BIRD 2005LEM/BUS
N-methyl-proline 11.0G0.2 46G1
Proline methyl ester 12.2G0.1 51.0G0.5
(Gln)NaC(H2O)x–H2O
1 (2) 9.6G0.5 40G2 (2) 2006LEM/WU
GlnZglutamine
(AsnOMe)NaC–H2O
1 (2) 8.8G0.2 37G1 (2) 2006LEM/WU
AsnZasparagine
(continued)
BDEs
(GlnOMe)NaC–H2O
1 (2) 9.3G0.5 39G2 (2) 2006LEM/WU
GlnZglutamine
(AsnOEt)NaC–H2O
1 (2) 9.1G0.2 38G1 (2) 2006LEM/WU
AsnZasparagine
NaC(NH3)x–NH3
xZ0 (1) 29.1G0.4 121.8G1.7 (1) Equilibrium (1) 1978CAS/HOL
(2) 28.4 118.8 (2) CID (2) 1989MAR/SQU
(3) 25.6 107.1 (3) Equilibrium (3) 1999HOY/NOR
(4) 25.4G1.3 106.2G5.4 (4) CID (4) 2000ARM/ROD
(5) 25.6G2.8 107.1G11.7 (5) CID (5) 2002ARI/ROD
1 (1) 22.9G0.2 95.8G0.8
2 (1) 17.1G0.2 71.5G0.8
3 (1) 14.7G0.1 61.5G0.4
4 (1) 10.7G0.2 44.8G0.8
5 (1) 9.7G0.2 40.6G0.8
NaC–ND3 25.6G1.3 107.2G5.4 CID 2001AMI/ARM
(L)NaC–NH3
LZH2O 22.8G1.1 95.5G4.8 CID
CH3OH 22.8G1.6 95.5G6.8
C2H5OH 21.9G1.4 91.7G5.8
CH3OCH3 21.4G1.4 89.7G5.8
C6H6 21.4G1.1 89.7G4.8
NaC–ScF3 33 138 MS 1986TSI/GUS
NaC–HNO3 20.6 86.2 FA 1980PET/ROW
NaC–AlF4 119.0 497.9 Derived 1985ZHU/NIK

–GaF4 120.3 503.3

–ScF4 118.0 493.6
–YF4 119.9 501.6
–LaF4 125.6 525.4
NaC–CH4 7.2 30.1 HP MS 1983CAS/PET
NaC(CH3OH)x–CH3OH
xZ0 (1) 26.6G0.2 111.3G0.8 (1) Equilibrium (1) 1989GUO/CON
(2) 24.0G0.2 100.4G0.8 (2) Equilibrium (2) 1999HOY/NOR
(3) 22.3G1.4 93.2G5.7 (3) CID (3) 1999ROD/ARM
(4) 26.1G2.7 109.2G11.3 (4) CID (4) 2002ARI/SHO
(5) 23.6G1.4 98.8G5.7 (5) CID (5) 2004AMI/ARM
1 (1) 20.2G0.2 84.5G0.8
2 (1) 17.4G0.4 72.8G1.7
3 (1) 15.7G0.2 65.7G0.8
(L)NaC–CH3OH
LZH2O 22.4G1.4 93.6G5.8 CID 2001AMI/ARM
NH3 21.4G1.6 89.7G6.8
C2H5OH 20.5G1.6 85.9G6.8
CH3OCH3 19.6G1.1 82.0G4.8
C6H6 20.0G1.1 83.9G4.8
NaC(CH3CN)x–CH3CN
xZ0 (1) 32.5 136.0 (1) HP MS (1) 1999HOY/NOR
(2) 30.8G1.1 128.9G4.6 (2) CID (2) 2001VAL/AMU
(3) 30.0G2.3 125.5G9.6 (3) CID (3) 2002ARI/ROD
1 (2) 25.5G1.9 106.7G8.0
(4) 24.4G0.3 102.1G1.3 (4) HP MS (4) 1976DAV/KEB
2 (2) 21.1G0.7 88.2G3.0
(4) 20.6G0.5 86.2G2.1
3 (2) 14.9G0.6 62.5G2.5
(4) 14.9G0.2 62.3G0.8
4 (2) 12.0G0.9 50.4G3.7
(4) 12.7G0.2 53.1G0.8
NaC–C2H4 10.7G1.1 44.6G4.4 GIB MS 2000ARM/ROD
NaC–C2H5OH (1) 24.7G0.9 103.3G3.7 CID (1) 1999ROD/ARM
(continued)
BDEs
(2) 28.1G2.0 117.6G8 (2) 2002ARI/SHO

(3) 26.6G1.3 111.4G5.6 (3) 2004AMI/ARM
(L)NaC–C2H5OH
NH3 23.3G1.4 97.4G5.8
CH3OH 23.8G1.6 99.4G6.8
C6H6 23.1G1.1 96.5G4.8
NaC(DME)x–DME, DMEZ
dimethyl ether
CH3OCH3
xZ0 (1) 22.2G1.2 93G5 CID (1) 1997MOR/RAY
(2) 24.2G1.4 101.4G5.7 (2) 2004AMI/ARM
1 (1) 18.9G1.2 79G5
2 (1) 16.0G1.2 67G5
3 (1) 13.9G1 58G4
(L)NaC–CH3OCH3
NH3 20.7G1.4 86.8G5.8
CH3OH 21.2G1.4 88.8G5.8
C6H6 20.0G1.1 83.9G4.8
NaC–CH3C(O)H 27.3G0.8 114.4G3.4 CID 2000ARM/ROD
NaC–n-C3H7OH 26.1G1.0 109.3G4.1 GIB MS 1999ROD/ARM
NaC–i-C3H7OH (1) 27.3G1.0 114.4G4.3 (1) GIB MS (1) 1999ROD/ARM

(2) 29.7 124.2 (2) HP-M (2) 1999HOY/NOR
NaC(MeCOMe)x–
(MeCOMe)
xZ0 (1) 33.4G0.2 139.7G0.8 (1) Equilibrium (1) 1989GUO/CON
(2) 30.8 128.9 (2) Equilibrium (2) 1999HOY/NOR
(3) 31.4G1.0 131.3G4.1 (3) CID (3) 2000ARM/ROD
1 (1) 25.2G0.1 105.4G0.4
2 (1) 20.7G0.2 86.6G0.8
3 (1) 14.7G0.2 61.5G0.8
NaC–C2H5C(O)OH 28.4G1.4 119G6 CID 2002MOI/ARM
NaC–CH3C(O)OCH3 (1) 44 184 (1) ICR (1) 1975STA/BEA

(2) 31.8 133 (2) Kinetics (2) 1999HOY/NOR
NaC–n-C4H9OH 26.4G1.1 110.3G4.7 GIB MS 1999ROD/ARM

–i-C4H9OH 25.4G1.4 106.4G5.7
–s-C4H9OH 28.3G1.2 118.4G5.1
–t-C4H9OH 28.1G1.0 117.6G4.1
NaC–CH3C(O)C2H5 31.5G1.7 132G7 CID 2002MOI/ARM
NaC(DXE)x–(DXE),
DXEZCH3O(CH2)2OCH3
xZ0 (1) 47.2 197.5 (1) HP MS (1) 1983CAS/PET
(2) 38.2G0.9 159.9G3.9 (2) GIB MS (2) 2000ARM/ROD
(3) 38.8 162.5 (3) Derived (3) 2004TSA/SIU
1 (1) 35.1 146.9
(4) 27.2G1.9 114G8 (4) GIB MS (4) 1997MOR/RAY
2 (1) 23.2 97.1
NaC–L
LZ(12c-4), 12c-4Z12- 60.7G3.1 254G13 CID 1999MOR/RAY
crown-4, c-(CH2O)4
(15c-5), 15c-5Z15- 71.2G4.3 298G18
crown-5, c-(CH2O)5
(18c-6), 18c-6Z18- 71.7G4.5 300G19
crown-6, c-(CH2O)6
(continued)
BDEs
NaC(Et2CO)x–(Et2O)
xZ0 31.0G0.3 129.7G1.3 Equilibrium 1989GUO/CON
1 22.9G0.3 95.8G1.3
2 16.4G0.3 68.6G1.3
NaC–CH3NH2 (1) 32.1 134.3 (1) HP MS (1) 1989GUO/CON

(2) 26.3G0.2 110.0G0.8 (2) HP MS (2) 1999HOY/NOR
(3) 27.0G1.4 113.0G5.9 (3) CID (3) 2002ARI/ROD
–C2H5NH2 (3) 27.7G2.3 115.9G9.6
NaC–n-C3H7NH2 (1) 29.6G1.4 124G6 CID (1) 1996KLA/AND

–i-C3H7NH2 (2) 31.4 131.4 (2) 1999HOY/NOR
NaC–MeC(O)NH2 34.7 145 CID 1996KLA/AND

–MeC(O)NHMe 35.7 149
–MeC(O)NMe2 37.5 157
NaC–H2NCH2C(O)NH2 41.4 173 CID 1996KLA/AND

–(H2NC(O)CH2)2 44.5 186
–H2NCH2C(O) 42.8 179
NHCH2CO2H
NaC–(CH3)2NCHO (1) 36.2 151.5 (1) Kinetics (1) 1999HOY/NOR

(2) 37.7G0.9 157.8G3.7 (2) CID (2) 2000ARM/ROD
NaC(C6H6)x–C6H6
xZ0 (1) 28.0 117.2 (1) HP MS (1) 1990GUO/PUR
(2) 28G1 117.2G4 (2) Combined (2) 1999RYZ/DUN
(3) 22.5G1.5 94.3G6.1 (3) CID (3) 2000AMI/ARM
(4) 23.2G1.4 97.0G5.9 (4) CID (4) 2004AMI/ARM
1 (3) 19.2G1.5 80.3G6.2
(L)NaC–C6H6
NH3 19.4G1.1 81.0G4.8
CH3OH 19.4G1.1 81.0G4.8

C2H5OH 19.6G1.6 82.0G6.8
CH3OCH3 18.9G1.1 79.1G4.8
NaC(C6H5F)x–C6H5F
xZ0 16.9G1.0 70.7G4.1 CID 2002AMU/ROD
1 15.0G1.0 62.8G4.3
NaC(C6H5OH)x–C6H5OH
xZ0 (1) 28G3 117.2G12.6 (1) Combined (1) 1999RYZ/DUN
(2) 24.0G0.8 100.3G3.4 (2) GIB MS (2) 2000ROD/ARM(b)
(3) 24.8G0.9 103.6G3.9 (3) GIB MS (3) 2002AMU/ROD
1 (3) 18.8G0.8 78.7G3.5
NaC–C6H5CN 32.7G1.4 136.8G5.9 CID 2002ARI/ROD
NaC(C6H5NH2)x–C6H5NH2
xZ0 29.0G0.8 121.2G3.4 CID 2003ARM/ROD(b)
1 22.9G0.7 95.9G2.8
NaC(C6H5CH3)x–C6H5CH3
xZ0 27.2G1.1 113.8G4.6 CID 2002AMU/ROD(b)
1 20.0G0.7 83.6G2.8
NaC(C6H5OCH3)x–
C6H5OCH3
xZ0 27.4G2.1 114.5G8.7 CID 2003AMU/ROD(c)
1 20.6G0.7 86.2G2.8
NaC(C10H8)x–C10H8
xZ0 25.8G1.3 107.9G5.3 CID 2003AMU/ROD
1 21.0G0.7 87.7G2.9
NaC–benzoic acid,
substituted
C(O)COH
Y
YZH 31.3G1.0 130.8G4.3 CID 2006CHI/CHU
2-OH 34.5G1.0 144.2G4.0
(continued)
BDEs
3-OH 31.5G0.8 131.9G3.3

4-OH 31.6G1.2 132.4G4.9
2,3-(OH)2 35.0G1.0 146.5G4.3
2,4-(OH)2 34.9G1.0 145.9G4.0
2,5-(OH)2 34.9G1.2 146.0G4.8
2,6-(OH)2 34.8G0.9 145.7G3.9
3,4-(OH)2 33.0G0.8 137.9G3.2
3,5-(OH)2 32.8G1.7 137.3G7.2
NaC–uracil, substituted
O X'
N
3
X N1 O
6 5
XZH X 0 ZH (1) 33.7 141 (1) VG-MS (1) 1996CER/WES
(2) 32.4G0.8 135.7G3.4 (2) GIB MS (2) 2005YAN/ROD
Me H (2) 36.3G1.0 151.9G4.1
(3) 36.1G1.0 151G4 (3) CID (3) 2004ROD/ARM
Me H (2) 34.6G0.9 144.8G3.8
(3) 34.4G1.0 144G4
H 5-Me H (1) 34.4 144
(2) 32.6G0.9 136.4G3.8
H 6-Me H (2) 32.9G1.4 137.6G5.8
(3) 32.7G1.4 137G6
Me Me (2) 37.0G1.1 154.9G4.7
(3) 36.8G1.2 154G5
H 5,6-diMe H (2) 33.0G1.2 137.9G5.1
(3) 32.7G1.2 137G5
H 5-F H (4) 35.6G1.0 149.0G4.3 (4) CID (4) 2004YAN/ROD
H 5-Cl H (4) 33.8G0.8 141.4G3.4
H 6-Cl H (4) 33.3G1.1 139.5G4.4
H 5-Br H (4) 34.0G1.1 142.3G4.8
H 5-I H (4) 33.3G1.1 139.5G4.4
NaC–thiouracil, substituted
A
NH
2 3
NH1 4 A'
6 5
AZS A 0 ZO 33.4G0.8 139.8G3.3 CID 2006YAN/ROD

O S 30.1G1.1 125.8G4.7
S S 23.9G1.4 100.2G5.8
NaC–thiouracil, substituted
S
NH
2 3
NH1 4 O
6 5
CH3
5-CH3 34.0G1.3 142.3G5.5 CID 2006YAN/ROD
6-CH3 34.3G0.9 143.6G3.8
NaC–5-methyl-2-thiouracil 33.9G1.4 142G6 CID 2004ROD/ARM

–6-methyl-2-thiouracil 34.4G1.0 144G4
NaC–adenine (1) 41.1 172 (1) VG-MS (1) 1996CER/WES

(2) 33.4G1.0 139.6G4.2 (2) GIB MS (2) 2000ROD/ARM
–cytosine (1) 42.3 177
–guanine (1) 43.5 182
NaC–1H-1,2,4-triazole 29.8G1.2 124.6G5.2 CID 1999ROD/ARM

–2H-1,2,3-triazole 23.1G1.0 96.6G4.3
–2H-tetrazole 27.6G0.9 115.4G3.6
NaC–pyrrole 24.8G1.1 103.7G4.8 CID 2002HUA/ROD

–pyrazole 30.8G2.0 129.0G8.5
–imidazole 33.7G1.3 140.9G5.3
NaC–pyridine (1) 31.7 132.6 (1) Kinetics (1) 1999HOY/NOR

(2) 30.4G0.7 127G3 (2) CID (2) 2000ROD/ARM(b)
Na+
(3) 30.5G0.6 127.5G2.5 (3) CID (3) 2000AMU/ROD
N
NaC–Y-pyridine
Na+ Y
N
YZo-methyl 30.9G1.1 129.2G4.7 CID 2001ROD
m-methyl 32.1G1.1 134.2G4.4
p-methyl 32.1G1.0 134.4G4.0
(continued)
BDEs
NaC–Y-pyridine
Na+ Y
N
YZo-NH2 35.0G1.4 146.5G5.9 CID 2001ROD(b)

m-NH2 32.5G0.9 136.1G3.8
p-NH2 35.0G1.1 146.6G4.6
NaC–pyridazine (1) 38.0G0.7 159G3 CID (1) 2000ROD/ARM(b)

(2) 38.3G0.8 160.4G3.2 (2) 2000AMU/ROD
–pyrimidine (1) 24.6G1.0 103G4
(2) 24.7G0.9 103.5G3.9
–pyrazine (1) 25.6G1.0 107G4
(2) 25.9G0.8 108.2G3.5
–1,3,5-triazine (2) 21.3G0.7 89.0G3.0
(3) 21.0G0.7 88G3 (3) 1999ROD/ARM
NaC(L)x–L, LZindole
(2) 28.9G0.7 121.1G2.9 (2) CID (2) 2005RUA/YAN
1 (2) 23.3G0.7 97.4G2.9
NaC(H2O)x–Gly
GlyZglycine
xZ1 30.6G1.7 128.0G7.3 CID 2005YE/MOI
2 24.2G1.8 101.2G7.4
3 19.5G1.6 81.4G6.6
4 13.8G2.0 57.9G8.3
NaC–L, a-amino acids

LZGly (glycine) (1) 38.0 159 (1) FAB (1) 1993BOJ/BRE
(2) 39.7G1.4 166G6 (2) CID (2) 2002MOI/ARM
(3) 38.5G1 161G4 (3) CAD (3) 2003KIS/OHA
(4) 38.5 161 (4) FT-ICR (4) 2003GAP/DUN
(5) 39.8G1.2 166.7G5.1 (5) CID (5) 2005YE/MOI
Ala (alanine) (1) 39.4 165
(3) 39.9G1 167G4
(4) 40.4 169

(6) 38.0 159 (6) Equilibrium (6) 2001GAP/DUN
Arg (arginine) (3) O53.8G1 O225G4
Asn (asparagine) (3) 49.2G1 206G4
Asp (asparagine) (3) 48.5G1 203G4
Cys (cysteine) (3) 41.8G1 175G4
(4) 42.8 179
Gln (glutamine) (3) 50.7G1 212G4
Glu (glutamic acid) (4) 48.8G1 204G4
His (histidine) (3) 52.3G1 219G4
(4) 44.2 185
Ile (isolecine) (3) 42.1G1 176G4
Leu (leucine) (3) 41.8G1 175G4
Lys (lysine) (3) O50.9G1 O213G4
Met (methionine) (7) 48.3G2.6 202G11 (7) CID (7) 2004ROD/ARM
Phe (phenylalanine) (3) 47.3G1 198G4
(4) 47.3 198
(6) 44.9 188
(8) 41.5 173.6 (8) Kinetics (8) 2000RYZ/DUN
(9) 49.1G1.6 205.5G6.8 (9) CID (9) 2004RUA/ROD
Pro (proline) (3) 46.8G1 196G4
(4) 41.8 175
(5) 44.5G1.0 186G4
(10) 44.9G1.0 188G44 (10) CID (10) 2006MOI/ARM
Ser (serine) (3) 45.9G1 192G4
(4) 44.9 188
Thr (threonine) (3) 47.1G1 197G4
Trp (tryptophan) (3) 50.2G1 210G4
(4) 49.0 205
(8) 43.0 179.9
(9) 51.9G1.8 217.1G7.7
Tyr (tyrosine) (3) 48.0G1 201G4
(8) 41.8 174.9
(9) 50.0G2.3 209.4G9.6
Val (valine) (1) 41.1 172
(3) 41.3G1 173G4
(4) 41.3 173
NaC–Aze 42.8G1.2 179G5 CID 2006MOI/ARM

–Pip 44.5G1.4 186G6
acid
PipZpipecolic acid
NaC–CH3Ala (1) 42.1 176 (1) FT-ICR (1) 2003GAP/DUN

–CH3Gly (2) 39.9 167 (2) FAB (2) 1993BOJ/BRE
–CH3Val (1) 42.8 179
(continued)
BDEs
NaC–L
LZa-AB (1) 39.0 163.2 (1) FAB (1) 1993BOJ/BRE
N-acetyl-Gly (2) 44.5 186 (2) HP MS (2) 1998CER/HOY
c-GlyGly (2) 34.2 143
c-AlaGly (2) 35.6 149
c-AlaAla (2) 36.1 151
GlyGly (2) 42.3 177
(3) 43.0 180 (3) CID (3) 1996KLA/AND
(4) 40.8 171 (4) Kinetics (4) 1999FEN/GRO
(5) 48.5G2 203G8 (5) Kinetics (5) 2004KIS/WES
GlyAla (2) 42.8 179
AlaGly (2) 42.5 178
AlaAla (2) 43.0 180
GlyGly-OEt (2) 43.3 181
GlyGly-NH2 (2) 43.7 183
NaC–arabinose 40.6 170 Kinetics 1999CER/WES

–galactose 42.3 177
–gentiobiose 48.0 201
–glucose 41.6 174
–lactose 48.8 204
–mannose 42.8 179
–melibiose 47.3 198
–ribose 42.1 176
–xylose 40.9 171
NaC–L, dipeptides
LZcyclo-glycylglycine 34.2 143 Kinetics 1998CER/HOY
cyclo-alanylglycine 35.6 149
cyclo-alanylalanine 36.1 151
N-acetyl glycine 41.1 172
NaC(PET)x–PET
xZ0 8.1 34 MALDI 1999GID/WYT
2 12.9 54
4 15.8 66
6 21.0 88
PETZpoly(ethylene
11.3.3 NaK–X bonds

Table 11.3.3 BDEs of NaL–X Bonds
BDEs (boldfaceZ
recommended data;
(boldfaceZ (reference in
dissociated fragment) kcal/mol kJ/mol parentheses) References
NaK–Na (1) 11.0 46.0 (1) Derived (1) 1979HUB/HER

EA in ref.
NaK–K 16.0G0.7 66.8G2.9 Derived from EA 1996NIST

in ref.
NaK–NaH 46.6G3.8 195G16 Derived 1985KUD/BUT

–(NaOH)2 48.0G3.3 201G14
–(NaH)3 44.7G7.2 187G30
ClNaK–ClNa 12.5G1.2 52.1G4.8 PES 1993XIA/YU

(ClNa)7K–ClNa 15.7G1.2 65.9G4.8
(ClNa)9K–ClNa 8.1G1.2 33.8G4.8
11.4 K–, KC–, and KK–X bonds

11.4.1 K–X bonds
Table 11.4.1 BDEs of K–X Bonds
BDEs
K–K (1) 13.62 57.02 (1) Spectroscopy (1) 1979HUB/HER

(2) 13.6 57 (2) Review (2) 1979MIE/GIN
(3) 13.62G0.01 56.97G0.02 (3) Spectroscopy (3) 1991AMI
(4) 13.61 56.96 (4) Recommended (4) 1996ZHA/ZEM
Ni(100, surf.)K–K 1.5G0.3 (phys) 6.1G1.4 Scattering 1996FUH/HUL
(continued)
Table 11.4.1 (continued) BDEs of K–X Bonds
BDEs
K–Li 19.6G1.0 82.0G4.2 MS 1977ZMB/WU
K–Na (1) 15.5G1.0 64.9G4.2 Spectroscopy (1) 1977ZMB/WU

(2) 15.773G0.002 65.994G0.008 (2) 1979BRE/ENG
(3) 15.97 66.80 (3) 1999ZEM/STW
K–Rb (1) 12.4 52.0 Spectroscopy (1) 1979HUB/HER

(2) 12.1 50.5 (2) 1999KAS/FUJ
(3) 12.838 53.716 (3) 2000AMI/VER
(4) 12.840G0.001 53.723G0.005 (4) 2005STW
KCl(surf.)–Ag 7.1 (phys) 29.9 SEM 1976DON/ROB
KCl(surf.)–Ag 12.2 51.1 SEM 1976DON/ROB
KBr(surf.)–Ag 4.2 (phys) 17.4 SEM 1976DON/ROB
KBr(surf.)–Ag 10.6 44.4 SEM 1976DON/ROB
KCl(surf.)–Au 4.8G1.2 (phys) 20.3G4.8 SEM 1973ROB/ROB
KCl(surf.)–Au 15.2G2.3 63.7G9.6 SEM 1973ROB/ROB
KBr(surf.)–Au 8.1G1.2 (phys) 33.8G4.8 SEM 1973ROB/ROB
KBr(surf.)–Au 18.4G2.3 77.2G9.6 SEM 1973ROB/ROB
K–Zn 1.6 6.5 Spectroscopy 1984CZU/REB

–Cd 1.7 7.3
K–Hg (1) 2 8.4 (1) Review (1) 1974GUR/KAR

(3) 2.1 8.8 (3) Scattering (3) 1986LAC/MAI
K–Kr 1.1 4.6 Review 1979HUB/HER

–Xe 1.2 5.0
K–H (1) 43.8G1.1 183.4G4.8 Spectroscopy (1) 1983YAN/NEL

(2) 43.14 180.48 (2) 1986HUS/EFF
(3) 41.725 174.576 (3) 1988ZEM/STW
K–D 43.6 182.4 Spectroscopy 1979HUB/HER
K–F 116.9 489.2 Spectroscopy 1979HUB/HER
K–Cl 103.5G2 433.0G8.4 Photofrag. 1980SU/RIL(b)
K–Br (1) 89.9 376.3 Photofrag. (1) 1979VAN/VRI

(2) 90.6G1 379.1G4.2 (2) 1980SU/RIL
K–I (1) 76.8 321.3 Photofrag. (1) 1979VAN/VRI

(2) 77.1G0.5 322.5G2.1 (2) 1979SU/RIL
K–O (1) 66G3 276.1G12.6 (1) MS (1) 1977EHL

(2) 62.6 261.9 (2) MS (2) 1982FAR/SRI
(3) 66.4G5.0 277.8G21 (3) Review (3) 1983PED/MAR
(4) 64.9G3 271.5G12.6 (4) Review (4) 1984HYN/STE
K–O2 45 188.3 Review 1984HYN/STE
(KO)–H (1) 124.7 521.7 (1) Derived from (1) 1996NIST

DfH0 in ref.
K–OH (1) 85.8 359
(2) 84G3 351.5G12.6 (2) Review (2) 1984HYN/STE
(continued)
Table 11.4.1 (continued) BDEs of K–X Bonds
BDEs
Ru(001, surf.)K–CO 18.4 77.2 TDS 1985PAO/HRB
K–KOH 19.8G4.4 83.0G18.3 PI 1990KUA/JIA
(KOH)–KOH 45.3 190 Derived from DfH0 1996NIST

in ref.
K–H2O 5.8G1.8 24.1G7.7 PI 1990KUA/JIA
K–NH3 7.6G1.8 31.8G7.7 PI 1990KUA/JIA
KF–AlF3 85.8 359.0 Derived 1985ZHU/NIK

–GaF3 75.7 316.7
–ScF3 84.4 353.1
–YF3 w82.5 w345
–LaF3 w72.7 w304
11.4.2 KC–X bonds

Table 11.4.2 BDEs of KD–X Bonds
BDEs (boldfaceZ
recommended data;
KC–K (1) 20.5 85.7 (1) Spectroscopy (1) 1979HUB/HER

(2) 19.2 80.3 (2) PI (2) 1981LEU/HOF
(3) 19.6 81.9 (3) Derived (3) 1996SMI/YAT
in ref.
KC(K)x–K
xZ2 10.4 43.5 PD 1990BRE/CAH
3 15.5 64.9
4 12.5 52.3
5 17.3 72.4
6 13.4 56.1
7 20.8 87.0
8 11.5 48.1
9 13.1 54.8
10 12.9 54.0
11 13.4 56.1
12 13.4 56.1
13 14.9 62.3
14 13.1 54.8
15 15.0 62.8
16 15.5 64.9
17 16.1 67.4
18 15.7 65.7
19 17.3 72.4
20 12.9 54.0
21 14.3 59.8
22 13.6 56.9
23 14.8 61.9
KC(K)x–K2
xZ2 (1) 13.8 57.9 (1) PD (1) 1990BRE/CAH
3 (1) 15.9 66.6
4 (1) 17.8 74.3
5 (1) 19.1 80.1
6 (1) 21.7 90.7
7 (1) 20.3 84.9
8 (1) 12.7 53.1
9 (1) 14.1 58.9
10 (1) 15.7 65.6
11 (1) 16.4 68.5
12 (1) 16.4 68.5
13 (1) 16.1 67.5
14 (1) 15.7 65.6
15 (1) 19.1 80.1
16 (1) 18.9 79.1
17 (1) 17.8 74.3
18 (1) 22.6 94.6
19 (1) 18.2 76.2
20 (1) 15.2 63.7
21 (1) 15.9 66.6
22 (1) 16.4 68.5
(continued)
Table 11.4.2 (continued) BDEs of KC–X Bonds
BDEs (boldfaceZ
recommended data;
KC–Li 14.3G1.4 59.9G5.9 Derived from IP 1996NIST

in ref.
KC–Na (1) 14.0 58.7 (1) PI (1) 1981LEU/HOF

in ref.
KC–He (1) 1.4 5.9 (1) Ion mobility (1) 1983TAK

(2) 1.4 5.9 (2) Re-analysis (2) 1984VIE
(3) 1.4 6.1 (3) Review (3) 1984GAT
(4) 1.43 6.00 (4) Review (4) 1991PET/HAM
KC–Ne (1) 1.8 7.7 (1) Ion mobility (1) 1983TAK

(2) 1.8 7.7 (2) Re-analysis (2) 1984VIE
(3) 2.0 8.3 (3) Review (3) 1984GAT
(4) 1.86 7.79 (4) Review (4) 1991PET/HAM
KC–Ar (1) 3.6 15.2 (1) Ion mobility (1) 1983TAK

(2) 3.8 16.0 (2) Re-analysis (2) 1984VIE
(3) 3.8 15.7 (3) Review (3) 1984GAT
(4) 3.3G1.7 14G7 (4) CID (4) 2000ROD/ARM(b)
KC–Kr (1) 4.6 19.2 (1) Ion mobility (1) 1983TAK

(2) 3.8 16.0 (2) Re-analysis (2) 1984VIE
(3) 3.8 15.8 (3) Review (3) 1984GAT
KC–Xe (1) 6.2 26.0 (1) Ion mobility (1) 1983TAK

(2) 5.7 24.0 (2) Re-analysis (2) 1984VIE
(3) 4.7 19.5 (3) Review (3) 1984GAT
KC–Cl (1) 6.4 26.9 (1) Review (1) 1979HUB/HER

in ref.
–Br (1) 10.1 42.3

(2) 8.5G2.5 35.7G10.5
–I (1) 11.0 46.2
(2) 4.2G10.6 18G45
KC–O (1) 4.2G1.2 17.5G4.8 Derived (1) 2003LEE/WRI

(2) 3 13 (2) 2004LAV/BLA
KC–KCl 41.2 172 MS 1959CHU
KC–KBr (1) 40.8 171 MS (1) 1959CHU

(2) 41.5 174 (2) 1973KUD/GUS
KC(H2)x–H2
1 1.35G0.2 5.6G0.8
KC–CO 4.5G1.2 19G5 CID 1998WAL/SIE
KC–CO2 8.5 35.6 HP MS 1981CAS/KEE
KC–KOH 38.0G2.6 159.0G11 Derived 1985KUD/BUT

–(KOH)2 30.1G7.2 126G30
–(KOH)3 28.4G9.6 119G40
KC(H2O)x–H2O
xZ0 (1) 17.9 74.9 (1) HP MS (1) 1969SEA/KEB
(2) 16.9 70.7 (2) HP MS (2) 1976DAV/KEB
(3) 17.0 71 (3) MS (3) 1982BUR/HAY
(4) 15.2 63.6 (4) CID (4) 1989MAR/SQU
(5) 16G3 66.9G12.6 (5) HP MS (5) 1990BLA/JAY(b)
1 (1) 16.1 67.4
2 (1) 13.2 55.2
(6) 13.0 54.4 (6) Electron swarm (6) 1996BLA/MAR
3 (1) 11.8 49.4
4 (1) 10.7 44.8
5 (1) 10.0 41.8
(continued)
BDEs (boldfaceZ
recommended data;
KC(KI)–H2O 13.1 54.8 Equilibrium 2004BLA/PES
KC(CH3OH)(H2O)x–H2O
xZ0 15.6G0.3 65.2G1.3 HP MS 1991EVA/KEE
1 13.1G0.1 54.8G0.4
KC(CH3OH)x–H2O
xZ2 11.3G0.2 47.3G0.8 HP MS 1991EVA/KEE
3 w9.3 w39
KC(C6H6)x–H2O
xZ1 18.1 75.7 HP MS 1981SUN/NIS
2 13.7 57.3
KC(C6H6)(H2O)x–H2O
xZ1 12.7 53.1 HP MS 1981SUN/NIS
2 11.8 49.4
KC(C6H6)2(H2O)–H2O 12.2 51.0 HP MS 1981SUN/NIS
KC(NH3)x–NH3
xZ0 (1) 17.9 74.9 (1) HP MS (1) 1976DAV/KEB
(2) 20.1 84.1 (2) HP MS (2) 1978CAS
(3) 16.9 70.7 (3) CID (3) 1989MAR/SQU
(4) 18.9G1.7 79G7 (4) CID (4) 2003ICE/ARM
1 (2) 16.3 68.2
(4) 16.5G1.4 69G6
2 (2) 13.5 56.5
(4) 14.1G1.2 59G5
3 (2) 11.6 48.5
(4) 11.0G1.4 46G6
4 (4) 7.4G2.6 31G11
KC–AlF4 108.3 453.3 Derived 1985ZHU/NIK

–GaF4 105.8 442.5
–ScF4 109.3 457.5

–YF4 w107.6 w450
–LaF4 w107.6 w450
KC(H2O)2–CH3OH w16.6 w69.5 HP MS 1991EVA/KEE
KC(CH3OH)x(H2O)–CH3OH
xZ0 19.6G0.4 82.0G1.7 HP MS 1991EVA/KEE
1 13.5G0.3 56.5G1.3
2 12.5G0.2 52.3G0.8
KC(CH3OH)x–CH3OH
xZ0 (1) 21.9 91.6 (1) HP MS (1) 1992EVA/KEE
(2) 19.0 79.5 (2) Derived (2) 2003LAU/WON
(2) 20.0 83.7
1 (1) 18.0G0.5 75.3G2.1
2 (1) 14.5G0.4 60.7G1.7
3 (1) 12.5G0.2 52.3G0.8
KC(CH3CN)x–CH3CN
xZ0 24.4G0.4 102.1G1.7 Equilibrium 1976DAV/KEB
1 20.6G0.5 86.2G2.1
2 18.2G0.3 76.1G1.3
3 13.6G0.4 56.9G1.7
4 11.5G0.1 48.1G0.4
KC–K2SO4 38 159 MS 1973KUD/GUS
KC(DME)x–DME
DMEZdimethyl ether
CH3OCH3
xZ0 (1) 22.2 92.9 (1) Equilibrium (1) 1976DAV/KEB(c)
(2) 20.8 87.0 (2) Equilibrium (2) 1976DAV/KEB
(3) 17.7G1.0 74G4 (3) CID (3) 1997MOR/RAY(b)
1 (3) 15.5G1.0 65G4
2 (3) 12.7G1.7 53G7
3 (3) 11.0G1.9 46G8
KC(Me2C(O))x–Me2C(O)
xZ0 (1) 26 109 (1) Equilibrium (1) 1984SUN/KEB
(2) 24.4 102 (2) CID (2) 1996KLA/AND
(continued)
BDEs (boldfaceZ
recommended data;
1 (1) 21 88
2 (1) 16 67
KC–CH3C(O)CH2NH2 31.1G1.4 130G6 Combined 2004MOI/ARM
KC(Me2SO)x–Me2SO
xZ0 (1) 35G3 146G13 (1) Equilibrium (1) 1984SUN/KEB
(2) 31.1 130 (2) CID (2) 1996KLA/AND
1 (1) 29G2 121G8
2 (1) 20G1 84G4
3 (1) 16G1 67G4
4 (1) 15.8G1 66G4
5 (1) 15.5G1 65G4
KC–CH3NH2 19.1 79.9 Equilibrium 1976DAV/KEB

–(CH3)2NH 19.5 81.6
–(CH3)3N 20.0 83.7
KC–n-C3H7NH2 (1) 21.8 91.2 (1) Equilibrium (1) 1976DAV/KEB

(2) 19.4G1 81G4 (2) CID (2) 2004MOI/ARM
KC–H2NCH2CH2OH 30.8G1 129G4 CID 2004MOI/ARM
KC–[(NH2CH2)2]x(NH2CH2)2
xZ0 25.7G0.5 107.5G2.1 Equilibrium 1976DAV/KEB(c)
1 22.2G0.5 92.9G2.1
2 12.9G0.3 54.0G1.3
KC–n-C3H7OH 20.1G1 84G4 CID 2004MOI/ARM

–C2H5C(O)OH 20.8G1 87G4
–CH3C(O)C2H5 22.7G1 95G4
KC–C2H5OC2H5 22.3 93.3 HP MS 1976DAV/KEB

KC(DXE)x–(DXE)
DXEZCH3O(CH2)2OCH3
xZ0 (1) 30.8G1.1 128.9G4.6 (1) HP MS (1) 1976DAV/KEB(c)
(2) 28.7G1.0 120G4 (2) CID (2) 1997MOR/RAY(b)
1 (2) 20.3G2.9 85G12
KC–L
LZ(12c-4), 12c-4: 12-crown-4, 45.7G2.9 191G12 CID 1999MOR/RAY
c-(CH2O)4
(15c-5), 15c-5: 15-crown-5, 49.2G3.3 206G14
c-(CH2O)5
(18c-6), 18c-6: 18-crown-6, 56.2G3.1 235G13
c-(CH2O)6
KC(DMF)x–(DMF)
DMFZN,N-dimethyl-
formamide
Me2NC(O)H
(2) 29.5 123 (2) CID (2) 1996KLA/AND
1 (1) 21 88
2 (1) 15 63
3 (1) 13 54
KC(DMA)x–(DMA)
DMAZN,N-dimethyl-
acetamide
Me2CHC(O)NH2
(2) 29.7 124 (2) CID (2) 1996KLA/AND
1 (1) 24 100
2 (1) 18 75
KC(NH2C2H4NH2)x–
(NH2C2H4NH2)
xZ0 25.7G0.5 107.5G2.1 HP MS 1976DAV/KEB
1 22.2G0.5 92.9G2.1
2 12.9G0.5 54.0G2.1
KC–MeNHC(O)H (1) 28.1 117.7 (1) Derived (1) 2003LAW/WON

–MeC(O)NH2 (1) 28.4 118.9
(2) 29.7 124 (2) CID (2) 1996KLA/AND
–MeC(O)NHMe (2) 30.4 127
(continued)
BDEs (boldfaceZ
recommended data;
–MeC(O)NMe2 (1) 31.3 131.2

(2) 29.0 121
KC(C6H6)x–C6H6
xZ0 (1) 19.2 80.3 (1) Equilibrium (1) 1981SUN/NIS
(2) 19G1 79.5G4 (2) Combined (2) 1999RYZ/DUN
(3) 17.7G1.0 74.2G4.2 (3) CID (3) 2000AMI/ARM
1 (1) 18.8 78.7
(3) 16.3G1.7 68.2G7.1
2 (1) 14.5 60.7
3 (1) 12.6 52.7
KC(H2O)(C6H6)x–C6H6
xZ0 16.8 70 HP MS 1986KEE/CAS
1 14.4 60
KC(H2O)2(C6H6)x–C6H6
1 12.8 54
KC(H2O)3–C6H6 12.6 52.7 HP MS 1981SUN/NIS
KC(C6H5F)x–C6H5F
xZ0 13.3G0.9 55.5G3.6 CID 2002AMU/ROD
1 11.2G0.8 47.0G3.5
KC(C6H5OH)x–C6H5OH
(2) 17.8G0.9 74.6G3.8 (2) CID (2) 2002AMU/ROD
1 (2) 15.6G0.8 65.3G3.5
KC(C6H5NH2)x–C6H5NH2
xZ0 (1) 22.8 95.4 (1) HP MS (1) 1976DAV/KEB
(2) 19.9G0.9 83.4G3.7 (2) GIB MS (2) 2003AMU/ROD(b)
1 (2) 17.4G0.7 72.9G3.1
KC(C6H5CH3)x–C6H5CH3
xZ0 19.3G1.3 80.8G5.3 CID 2002AMU/ROD(b)
1 17.2G1.1 72.1G4.8
KC(C6H5OCH3)x–C6H5OCH3
xZ0 19.0G0.8 79.4G3.3 CID 2003AMU/ROD(c)
1 15.8G0.7 66.3G2.9
KC(C10H8)x–C10H8
xZ0 19.4G1.3 81.2G5.3 CID 2003AMU/ROD
1 17.0G0.9 71.0G3.6
KC–adenine (1) 25.3 106 (1) VG-MS (1) 1996CER/WES

(2) 22.7G0.8 95.1G3.2 (2) GIB MS (2) 2000ROD/ARM
–cytosine (1) 26.3 110
–guanine (1) 28.0 117
–thymine (1) 24.4 102
(2) 24.9G0.9 104.0G3.8
KC–1H-1,2,4-triazole 20.9G1.1 87.5G4.5 CID 1999ROD/ARM

–2H-1,2,3-triazole 13.3G1.3 55.6G5.5
–2H-tetrazole 21.4G1.1 89.6G4.6
KC–pyrrole 20.3G0.9 85.1G3.6 CID 2002HUA/ROD

–pyrazole 20.1G0.8 84.2G3.3
–imidazole 26.2G1.4 109.7G5.7
KC–pyridine (1) 20.7 86.6 (1) Equilibrium (1) 1976DAV/KEB

(2) 21.5G1.0 90G4 (2) CID (2) 2000ROD/ARM(b)
K+
(3) 21.7G0.9 90.6G3.9 (3) CID (3) 2000AMU/ROD
N
KC–Y-pyridine
K+ Y
N
YZo-methyl 23.5G0.8 98.5G3.5 CID 2001ROD
(continued)
BDEs (boldfaceZ
recommended data;
m-methyl 23.9G0.8 100.1G3.5

p-methyl 23.7G1.0 99.0G4.0
KC–Y-pyridine
K+ Y
N
YZo-NH2 24.7G0.9 103.5G3.6 CID 2001ROD(b)
m-NH2 24.2G0.8 101.2G3.3
p-NH2 26.0G0.8 108.9G3.2
KC(L)x–L, LZindole
(2) 23.9G0.9 99.8G3.9 (2) CID (2) 2005RUA/YAN
1 (2) 19.0G0.7 79.4G2.9
KC–pyridazine (1) 31.1G0.7 130G3 CID (1) 2000ROD/ARM(b)

(2) 31.3G0.6 130.9G2.6 (2) 2000AMU/ROD
–pyrimidine (1) 16.5G1.0 69G4
(2) 16.7G1.0 69.7G4.3
–pyrazine (1) 16.0G1.0 67G4
(2) 16.2G0.9 67.6G3.6
–1,3,5-triazine (1) 13.1G0.7 55G3
(2) 13.3G0.7 55.6G3.0
KC–uracil, substituted
O X'
N
3
X N1 O
6 5
XZH X 0 ZH (1) 24.1 101 CID (1) 2000ROD/ARM(b)

(2) 25.1G0.7 105.0G2.8 (2) 2005YAN/ROD
Me H (2) 26.7G0.6 111.6G2.7
(3) 26.5G0.7 111G3 (3) 2004ROD/ARM
Me H (2) 25.9G0.8 108.3G3.3
(3) 25.8G0.7 108G3
H 5-Me H (2) 25.0G0.9 104.6G3.8

(3) 24.9G0.9 104.0G3.8
H 6-Me H (2) 26.1G1.3 109.4G5.4
(3) 26.1G1.2 109G5
Me Me (2) 28.6G0.8 119.7G3.3
(3) 28.4G0.7 119G3
H 5,6-diMe H (2) 27.2G0.8 113.8G3.2
(3) 27.0G0.7 113G3
H 5-F H (4) 26.3G0.9 110.2G3.8 (4) 2004YAN/ROD
H 5-Cl H (4) 24.9G0.6 104.1G2.7
H 6-Cl H (4) 23.4G0.5 97.8G2.2
H 5-Br H (4) 26.2G0.5 109.8G2.3
H 5-I H (4) 23.4G0.5 97.8G2.2
KC–thiouracil, substituted
NH
2 3
NH1 4 A'
6 5
AZS A 0 ZO 24.7G0.6 103.2G2.6 CID 2005YAN/ROD(b)

O S 23.3G1.3 97.3G5.5
S S 19.3G0.7 80.8G2.8
KC–thiouracil, substituted
S
NH
2 3
NH1 4 O
6 5
CH3
5-CH3 24.1G0.7 101.2G2.8 CID 2005YAN/ROD(b)

6-CH3 25.5G0.8 106.6G3.5
KC–5-methyl-2-thiouracil 24.1G0.7 101G3 CID 2004ROD/ARM

–6-methyl-2-thiouracil 25.6G1.0 107G4
KC–L, a-amino acids

LZGly (glycine) (1) 30.0 126 (1) CID (1) 1996KLA/AND
(2) 28.5 119.3 (2) Combined (2) 2003LAU/WON
(3) 29.4G1 123G4 (3) CID (3) 2004MOI/ARM
(4) 28.9G1.0 121G4 (4) CID (4) 2004ROD/ARM
Ala (alanine) (2) 29.5 123.6
Leu (leucine) (2) 30.9 129.3
(continued)
BDEs (boldfaceZ
recommended data;
Ile (isoleucine) (2) 31.0 129.9

Met (methionine) (4) 33.9G2.6 142G11
Phe (phenylalanine) (5) 24.9G5 104.2G20.9 (5) Kinetics (5) 2000RYZ/DUN
(6) 36.0G24.3 150.5G5.8 (6) CID (6) 2004RUA/ROD
Pro (proline) (4) 34.4G1.0 144G4
(7) 34.7G1.0 145G4 (7) CID (7) 2006MOI/ARM
Trp (tryptophan) (5) 24.7 103.3
(6) 39.4G1.4 165.0G5.8
Tyr (tyrosine) (5) 25.2 105.4
(6) 37.1G2.1 155.3G8.7
Val (valine) (2) 30.6 128.0
KC–Aze 31.8G1.2 133G5 CID 2006MOI/ARM

–Pip 32.5G1.2 136G5
acid
PipZpipecolic acid
KC(PET)x–PET
2 9.8 41
4 12.9 54
6 16.5 69
PETZpoly(ethylene
KC–aniline 22.8 95.4 HP MS 1976DAV/KEB

11.4.3 KK–X bonds

Table 11.4.3 BDEs of KL–X Bonds
BDEs
KK–K 13.5G0.3 56.5G1.2 Derived from EA in 1996NIST

ref.
KK–KOH 39.0G3.3 163G14 Derived 1985KUD/BUT

–(KOH)2 35.6G3.1 149G13
–(KOH)3 29.4G7.2 123G30
–(KOH)4 22.9G9.6 96G40
11.5 Rb–, RbC–, and RbK–X bonds

11.5.1 Rb–X bonds
Table 11.5.1 BDEs of Rb–X Bonds
BDEs (boldfaceZ
recommended data;
Rb–Rb (1) 11.7 49 (1) Review (1) 1979MIE/GIN

(2) 11.687G0.001 48.898G0.005 (2) Spectroscopy (2) 1990AMI
Rb–Na (1) 15.269G0.006 63.887G0.024 Spectroscopy (1) 1991WAN/KAJ

(2) 14.4 60.2 (2) 2001ZEM/STW
Rb–K (1) 12.4 52.0 Spectroscopy (1) 1979HUB/HER

(2) 12.1 50.5 (2) 1999KAS/FUJ
(3) 12.1 50.5 (3) 2000AMI/VER
(4) 12.840G0.001 53.723G0.005 (4) 2005STW
Rb–Cs (1) 11.85G0.01 49.57G0.01 Spectroscopy (1) 1988GUS/AMI

(2) w11.0 w45.9 (2) 1999FEL/GUT
(continued)
Table 11.5.1 (continued) BDEs of Rb–X Bonds
BDEs (boldfaceZ
recommended data;
Rb–Au 60.9G0.8 255G3.5 MS 1981BUS/WEI
Rb–Hg 2 8.4 Review 1979HUB/HER
Rb–H (1) 40G5 167G21 (1) Review (1) 1968GAY

(2) 42.6G1.7 178.1G7.2 (2) RKR (2) 1983YAN/NEL
(3) 41.2 172.6 (3) Review (3) 1991STW/ZEM
Rb–F 118G5 494G21 Review 1970DAR
Rb–Cl (1) 107G5 448G21 (1) Review (1) 1970DAR

(2) 102.2G2 427.6G8.4 (2) Photofrag. (2) 1980SU/RIL(b)
Rb–Br (1) 92G6 385G25 (1) Review (1) 1970DAR

Rb–I (1) 80G3 335G13 (1) Review (1) 1970DAR

(2) 76.2G0.5 318.8G2.1 (2) Photofrag. (2) 1979SU/RIL
Rb–O (1) 68G3 284.5G12.6 (1) CL (1) 1970HER/HER

(2) 71G10 297G42 (2) Review (2) 1983PED/MAR
(3) 66G3 276G12.6 (3) Review (3) 1984HYN/STE
Rb–O2 46 192.5 Review 1984HYN/STE
Rb–OH (1) 86.5G3 361.9G12.6 (1) Review (1) 1984HYN/STE

(2) 82.6G2.3 345.4G9.6 (2) Derived (2) 1985BAU/LAU
(3) 85.1G1.0 356.2G4.2 (3) Derived from (3) 1997GUR/BER
DfH0 in ref.
RbF–AlF3 86.1 360.2 Derived 1985ZHU/NIK

–GaF3 75.7 316.7
–ScF3 86.3 361.0
–YF3 w83.4 w349
–LaF3 w73.6 w308
11.5.2 RbC–X bonds

Table 11.5.2 BDEs of RbD–X Bonds
BDEs
RbC–Rb (1) 17.5 73.2 (1) Spectroscopy (1) 1979HUB/HER

(2) 18.2 76.1 (2) Derived (2) 1996SMI/YAT
IP in ref.
–Na (3) 12.0G0.9 50.1G3.9
RbC–Ne (1) 1.7 7.0 (1) Ion mobility (1) 1983TAK

(2) 1.7 7.0 (2) Re-analysis (2) 1984VIE
(3) 1.66 6.95 (3) Review (3) 1991PET/HAM
RbC–Ar (1) 3.7 15.6 (1) Ion mobility (1) 1983TAK

(2) 2.9 12.0 (2) Re-analysis (2) 1984VIE
–Kr (1) 4.2 17.7
(2) 3.6 14.9
–Xe (1) 4.5 18.9
(2) 5.1 21.5
RbC–Cl (1) 6.0 25.1 (1) Derived (1) 1979HUB/HER

IP in ref.
–Br (1) 7.6 31.8
(2) 4.2G1.2 17.6G5.1
–I (1) 8.3 34.7
(2) 6.5G10 27G42
RbC–O 7 29 Derived 2004LAV/BLA
(continued)
Table 11.5.2 (continued) BDEs of RbC–X Bonds
BDEs
RbC–RbOH 33.5G4.1 140G17 Derived 1985KUD/BUT

–(RbOH)2 26.5G7.2 111G30
–(RbOH)3 23.9G9.6 100G40
RbC(H2O)x–H2O
xZ0 (1) 15.9 66.5 (1) HP MS (1) 1970DZI/KEB
(2) 16.0 67 (2) MS (2) 1982BUR/HAY
(3) 16G3 66.9G12.6 (3) HP MS (3) 1990BLA/JAY
1 (1) 13.6 56.9
(3) 14G3 58.6G12.6
2 (1) 12.2 51.0
(3) 13G3 54.4G12.6
3 (1) 11.2 46.9
4 (1) 10.5 43.9
RbC(RI)–H2O 12.2 51.0 Equilibrium 2004BLA/PES
RbC(NH3)x–NH3
xZ0 18.7 78.2 Equilibrium 1978CAS
1 15.2 63.6
2 13.1 54.8
3 11.4 47.7
4 10.2 42.7
RbC–AlF4 104.1 435.6 Derived 1985ZHU/NIK

–GaF4 101.2 423.6
–ScF4 106.7 446.6
–YF4 w104 w435
–LaF4 w104 w435
RbC(CH3CN)x–CH3CN
1 17.7G0.2 74.1G0.8
2 15.7G0.2 65.7G0.8
3 12.5G0.2 52.3G0.8
4 11.1G0.6 46.4G2.5
RbC(DME)x–DME
DMEZdimethyl ether
CH3OCH3
xZ0 (1) 15.3G2.2 64G9 (1) CID (1) 1997MOR/RAY(c)
1 (1) 12.2G1.2 51G5
2 (1) 7.9G2.6 33G11
3 (2) 9.2 38.6 (2) Est. by exp. (2) 2001SCH(b)
RbC(DXE)x–(DXE)
DXEZCH3O(CH2)2
OCH3
xZ0 22.7G2.2 95G9 CID 1997MOR/RAY(c)
1 11.0G2.9 46G12
RbC–L
LZ(12c-4), 12c-4: 22.7G3.1 95G13 CID 1999MOR/RAY
12-crown-4,
c-(CH2O)4
(15c-5), 15c-5: 27.7G1.4 116G6
15-crown-5,
c-(CH2O)5
(18c-6), 18c-6: 45.9G3.1 192G13
18-crown-6,
c-(CH2O)6
RbC(C6H6)x–C6H6
xZ0 16.4G1.0 68.8G4.0 CID 2000AMI/ARM
1 15.1G1.9 63.3G8.0
RbC(C6H5F)x–C6H5F
xZ0 12.9G1.3 53.9G5.5 CID 2002AMU/ROD
1 10.4G1.2 43.6G4.9
RbC(C10H8)x–C10H8
xZ0 17.6G1.2 73.5G5.1 CID 2003AMU/ROD
1 15.8G1.0 65.9G4.1
(continued)
Table 11.5.2 (continued) BDEs of RbC–X Bonds
BDEs
RbC(C6H5OH)x–
C6H5OH
xZ0 16.8G0.9 70.2G3.7 CID 2002AMU/ROD
1 14.5G0.9 60.6G3.6
RbC(C6H5NH2)x–
C6H5NH2
xZ0 18.4G1.1 76.9G4.8 CID 2003AMU/ROD(b)
1 16.3G0.7 68.4G2.9
RbC(C6H5CH3)x–
C6H5CH3
xZ0 17.3G1.1 72.2G4.6 CID 2002AMU/ROD(b)
1 15.3G1.1 64.1G4.4
RbC(L)x–L,
LZPhOCH3
xZ0 17.4G1.1 72.6G4.4 CID 2003AMU/ROD(c)
1 14.3G0.8 59.9G3.5
RbC(L)x–L, LZindole
xZ0 21.5G0.7 90.1G2.9 CID 2005RUA/YAN
1 17.5G0.7 73.3G2.9
11.5.3 RbK–X bonds

Table 11.5.3 BDEs of RbL–X Bonds
BDEs
RbK–Rb (1) 12.4 52.0 (1) Review (1) 1996SMI/YAT

EA in ref.
–Cs (2) 11.7G0.5 48.8G1.9
RbK–RbOH 33.2G4.5 139G19 Derived 1985KUD/BUT

–(RbOH)2 29.9G4.3 125G18
–(RbOH)3 24.4G7.2 102G30
–(RbOH)4 17.2G9.6 72G40
11.6 Cs–, CsC–, and CsK–X bonds

11.6.1 Cs–X bonds
Table 11.6.1 BDEs of Cs–X Bonds
BDEs
Cs–Cs (1) 10.0 42 (1) Review (1) 1979MIE/GIN

(2) 10.497G0.002 43.919G0.010 (2) Spectroscopy (2) 1985WEI/DIE
(3) 10.90G0.42 45.59G1.80 (3) Pyrolysis (3) 1998SAR/SAR
Cs–Na 15.1G0.3 63.2G1.3 Spectroscopy 1984DIE/WEI
Cs–Rb (1) 11.85G0.001 49.57G0.01 Spectroscopy (1) 1988GUS/AMI

(2) w11.0 w45.9 (2) 1999FEL/GUT
Cs–Au 60.4G0.8 253G3.5 MS 1981BUS/WEI
Cs–Hg 2 8 Derived 1973LIZ/SPA
Cs–H (1) 41.95G0.09 175.50G0.34 Spectroscopy (1) 1982YAN

(2) 41.913 175.364 (2) 1988ZEM/STW
Cs–F (1) 121.5G1.4 508.5G5.8 (1) PIMS (1) 1971BER

(2) 123.6G1.8 517.1G7.7 (2) CID (2) 1984PAR/WEX
Cs–Cl (1) 105.6G1.6 441.9G6.7 (1) PIMS (1) 1971BER

(2) 106.5G1.8 445.7G7.7 (2) CID (2) 1984PAR/WEX
(3) 105.3G2 440.6G8.4 (3) Photofrag. (3) 1980SU/RIL(b)
(continued)
Table 11.6.1 (continued) BDEs of Cs–X Bonds
BDEs
Cs–Br (1) 96.2G1 402.3G4.2 (1) PIMS (1) 1971BER

(2) 93.1G1.8 389.5G7.7 (2) CID (2) 1984PAR/WEX
Cs–I (1) 82.3G1 344.4G4.2 (1) PIMS (1) 1971BER

(2) 80.9G3.5 338.5G14.5 (2) CID (2) 1984PAR/WEX
(3) 80.9G0.5 338.5G2.1 (3) Photofrag. (3) 1979SU/RIL
Cs–O (1) 70G3 293G12.6 (1) CL (1) 1970HER/HER

(2) 71G15 297G63 (2) Review (2) 1983PED/MAR
(3) 70G6 293G25 (3) Review (3) 1984HYN/STE
Cs–O2 48 200.8 Review 1984HYN/STE
(CsO)–H 129.1 540.2 Derived from DfH0 1996NIST

in ref.
Cs–OH 89.2 373
CsF–AlF3 84.4 353.3 Derived 1985ZHU/NIK

–GaF3 75.7 316.7
–ScF3 w81.3 w340
–YF3 w81.3 w340
–LaF3 w71.5 w299
11.6.2 CsC–X bonds

Table 11.6.2 BDEs of CsD–X Bonds
BDEs (boldfaceZ
recommended data;
CsC–Cs (1) 12G2 50.2G8 (1) Derived (1) 1974GUR/KAR

in ref.
–Na (2) 11.5G1.0 48.1G4.2
–Rb (2) 16.3G2.4 68.3G10
CsC–Au K1.5G6.9 K6G29 Derived from IP 1996NIST

in ref.
CsC–He (1) 1.2 5.1 Review (1) 1984GAT

–Ne (1) 1.5 6.4
(2) 1.46 6.11 (2) 1991PET/HAM
CsC–Ar (1) 3.2 13.3 (1) Ion mobility (1) 1983TAK

(2) 2.3 9.8 (2) Review (2) 1984GAT
(3) 1.96 8.2 (3) Re-analysis (3) 1984VIE
–Kr (1) 4.0 16.6
(2) 3.2 13.5
(3) 3.6 15.1
–Xe (1) 4.4 18.6
(2) 3.6 15.2
(3) 3.5 14.7
CsC–F (1) 10.5G2.4 43.7G10 (1) Derived from IP (1) 1996NIST

in ref.
–Cl (1) 25.6G2.4 107.1G10
–Br (1) 14.5G2.4 60.5G10
(2) 7.8 32.8 (2) PI (2) 1979HUB/HER
–I (1) 7.0G2.4 29.3G10
CsC–O 14 59 Derived 2004LAV/BLA
(continued)
Table 11.6.2 (continued) BDEs of CsC–X Bonds
BDEs (boldfaceZ
recommended data;
CsC–CsOH 28.0G3.1 117G13 Derived 1985KUD/BUT

–(CsOH)2 19.6G7.2 82G30
–(CsOH)3 15.5G9.6 65G40
CsC(H2O)x–H2O
xZ0 (1) 13.7 57.3 (1) HP MS (1) 1970DZI/KEB
(2) 11.9 49.7 (2) Diffusion tube (2) 1972MCM/SAW
1 (1) 12.5 52.3
(2) 11.3 47.4
2 (1) 11.2 46.9
(2) 9.7 40.8
3 (1) 10.6 44.4
CsC(CsI)–H2O 11.3 47.3 Equilibrium 2004BLA/PES
CsC–CO2 6.2 25.9 Diffusion tube 1972MCK/SAW

–SO2 10.8 45.2
CsC–AlF4 102.3 427.9 Derived 1985ZHU/NIK

–GaF4 101.1 422.8
–ScF4 w101.6 w425
–YF4 w101.6 w425
–LaF4 w101.6 w425
CsC(CH3CN)x–CH3CN
1 16.7G0.3 69.9G1.3
2 14.3G0.1 59.9G0.4
3 12.1G0.1 50.6G0.4
4 10.9G0.3 45.6G1.3
CsC(DME)x–DME
DMEZdimethyl ether
CH3OCH3
xZ0 (1) 13.6G1.2 57G5 (1) CID (1) 1997MOR/RAY(c)
1 (1) 10.3G1.4 43G6
2 (1) 8.6G2.2 36G9
3 (2) 8.5 35.7 (2) Est. by exp. (2) 2001SCH(b)
CsC(DXE)x–(DXE)
DXEZCH3O(CH2)2OCH3
xZ0 13.6G1.2 57G5 CID 1997MOR/RAY(c)
1 12.0G1.7 50G7
CsC–L
LZ(12c-4), 12c-4: 20.6G2.2 86G9 CID 1999MOR/RAY
12-crown-4,
c-(CH2O)4
(15c-5), 15c-5: 24.1G1.4 101G6
15-crown-5,
c-(CH2O)5
(18c-6), 18c-6: 40.6G2.2 170G9
18-crown-6,
c-(CH2O)6
CsC(C6H6)x–C6H6
xZ0 15.5G1.2 64.7G4.9 CID 2000AMI/ARM
1 14.2G1.9 59.3G8.0
CsC(C6H5F)x–C6H5F
xZ0 12.1G1.3 50.5G5.3 CID 2002AMU/ROD
1 9.8G1.1 40.9G4.4
CsC(C6H5OH)x–C6H5OH
xZ0 15.8G0.9 66.2G3.7 CID 2002AMU/ROD
1 13.7G0.9 57.5G3.6
CsC(C6H5NH2)x–C6H5NH2
xZ0 16.9G1.1 70.8G4.5 CID 2003AMU/ROD(b)
1 15.0G0.8 62.7G3.5
(continued)
Table 11.6.2 (continued) BDEs of CsC–X Bonds
BDEs (boldfaceZ
recommended data;
CsC(C6H5CH3)x–C6H5CH3
xZ0 15.5G1.1 64.9G4.7 CID 2002AMU/ROD(b)
1 14.0G1.0 58.6G4.2
CsC(C6H5OCH3)x–C6H5OCH3
xZ0 15.9G1.4 66.6G5.6 CID 2003AMU/ROD(c)
1 13.8G1.0 57.9G4.0
CsC(C10H8)x–C10H8
xZ0 16.6G1.4 69.6G5.6 CID 2003AMU/ROD
1 14.7G0.8 61.4G3.5
CsC(L)x–L, LZindole
xZ0 19.7G0.7 82.3G2.9 CID 2005RUA/YAN
1 16.4G0.7 68.5G2.9
CsC(PET)x–PET
2 7.6 32
4 9.8 41
6 13.6 57
PETZpoly(ethylene terephthalate)
oligomer
11.6.3 CsK–X bonds

Table 11.6.3 BDEs of CsL–X Bonds
BDEs
CsK–Cs 10.4G0.4 43.7G1.5 Derived from EA 1996NIST

in ref.
–Rb 12.0G0.5 50.2G1.9
CsK–CsOH 28.4G3.8 119G16 Derived 1985KUD/BUT

–(CsOH)2 24.6G3.3 103G14
–(CsOH)3 18.4G7.2 77G30
–(CsOH)4 13.4G9.6 56G40
chapter twelve
BDEs of Be(BeC )–, Mg(MgC )–,

Ca(CaC)–, Sr(SrC)–, Ba(BaC)–,
and Ra–X bonds
12.1 Be– and BeC–X bonds

12.1.1 Be–X bonds
Table 12.1.1 BDEs of Be–X Bonds
BDEs (boldfaceZ
recommended data;
Be–Be (1) 14.1 59 (1) Spectroscopy (1) 1984BON

(2) 3.1 13.2 (2) Review (2) 1996SMI/YAT
Cl2Be–BeCl2 6.8 28.5 Derived from 1998CHA

DfH0 in ref.
Be–Au (1) 68G2 285G8 (1) Review (1) 1968GAY

(2) 73 305 (2) Review (2) 1973LIT/SPA
(3) 56.8G1.0 237.7G4.0 (3) MS (3) 2004BAL/CIO
Be(H)x–H
xZ0 (1) 47.8G0.3 199.9G1.3 (1) Spectroscopy (1) 1979HUB/HER
DfH0 in ref.
(continued)
571
Table 12.1.1 (continued) BDEs of Be–X Bonds
BDEs (boldfaceZ
recommended data;
1 (2) 98.9 414

Be–D (1) 48.5 203.1
Be–T (1) 48.9 204.4
Be(F)x–F
xZ0 137.0 573 Derived from 1996NIST
1 168.6 705 DfH0 in ref.
Be(Cl)–F 170.5 713 Derived from 1996NIST

DfH0 in ref.
Be(Cl)x–Cl
xZ0 (1) 91.9 384 (1) MS (1) 1969HIL/THE
(2) 104 434 (2) Spectroscopy (2) 1982RAJ/PRA
1 (1) 127.5 533.5
Be(F)–Cl 125.4 525 Derived from 1996NIST

DfH0 in ref.
Be(Br)x–Br
1 110.2 461 DfH0 in ref.
Be(I)x–I
1 81.5 341 DfH0 in ref.
Be–O (1) 118.8G1.2 496.9G4.8 (1) Spectroscopy (1) 1978MUR/PRA

(2) 103.9G3.2 434.7G13.4 (2) Review (2) 1983PED/MAR
BDEs of Be(BeC)–, Mg(MgC)–, Ca(CaC)–, Sr(SrC)–, Ba(BaC)–, and Ra–X Bonds 573

DfH0 in ref.
Be–OBe 125.0 523 Derived from 1996NIST

(BeO)–H 112.1 469 DfH0 in ref.
Be(OH)x–OH
1 143.2 599 DfH0 in ref.
Be–S 89G14 372G59 Review 1968GAY
(BeO)–BeO 159G10 665G42 Review 1967DRO/GOL
12.1.2 BeC–X bonds

Table 12.1.2 BDEs of BeD–X Bonds
BDEs (boldfaceZ
recommended data;
BeC–Be 44.7 187.0 Derived 1996SMI/YAT
BeC–Au 98G7 410G29 Derived from IP 2004BAL/CIO

in ref.
BeC–Ar 11.7G0.6 49.0G2.4 Spectroscopy 1976SUB/COX
BeC–H 73.4G1.2 307.3G5.0 Derived from IP 1996NIST

in ref.
(continued)
Table 12.1.2 (continued) BDEs of BeC–X Bonds
BDEs (boldfaceZ
recommended data;
BeC–F (1) 140G10 586G42 (1) Derived (1) 1974GUR/KAR

(2) 137.5G23.4 575G98 (2) Derived from (2) 1996NIST
IP in ref.
–Cl (2) 99.6G12 417G50
BeC–O (1) 88G10 368G42 (1) Derived (1) 1974GUR/KAR

IP in ref.
RBeC–R
RZCH3 46.1G3.2 192.9G13.4 Review 1973LIT/SPA
C2H5 47.3G3.2 197.9G13.4
n-C3H7 48.7G3.2 203.8G13.4
i-C3H7 42.7G3.2 178.7G13.4
t-C4H9 29.1G3.2 121.8G13.4
BeK–Be 65.5 273.9 Derived 1996SMI/YAT
12.2 MgK and MgC–X bonds

12.2.1 Mg–X bonds
Table 12.2.1 BDEs of Mg–X Bonds
BDEs (boldfaceZ
recommended data;
Mg–Mg (1) 2.043G0.002 8.546G0.008 (1) Review (1) 1974GUR/KAR

(2) 2.2 9 (2) Review (2) 1979MIE/GIN
(3) 2.7 11.3 (3) EI (3) 1983WU/IHL
(4) 2.1 8.8 (4) Review (4) 1996SMI/YAT
C10H22Mg 33.9G1.3 141.8G5.4 MS 1983AKK/SCH

–MgC10H22
Mg–Li 16.1G1.5 67.4G6.3 MS 1980WU/IHL
MgO(100, surf.) 1.2G0.6 (phys) 4.8G2.4 AES 1975JAN

–Na
MgO(100, surf.)
–Cu 57.4G0.7 240G3 Calorimetry 2002CAM/STA
–Ag 42.1G0.7 176G3
Mg–Au 42.8G0.6 179.1G2.7 MS 2003BAL/CIC
MgO(100, surf.) 4.6 (phys) 19.3 AFM 2000HAA/MEN

–Pd
MgO(100, surf.) (1) w27.7 w116 (1) VTAFM (1) 2000HAA/MEN

–Pb (2) w24 w100 (2) Calorimetry (2) 2001STA/CAM
(3) 24.6G0.5 103G2 (3) Calorimetry (3) 2002CAM/STA
MgO(100, surf.) (1) 0.2 0.7 (1) Review (1) 1991VID/IHM

–He (2) 0.29 1.21 (2) HAS (2) 2001BEN/BRU
Mg–Ne w1.0 w4.1 Review 1999GIL/TRA
Mg–Ar (1) 1.3 5.6 (1) PI (1) 1996MAS/BRE

(2) w0.9 w3.7 (2) Review (2) 1999GIL/TRA
MgO(100, surf.) (1) 2.3 9.6 (1) LEED (1) 1988MEI/SUZ

–Ar (2) 1.7 7.0 (2) Review (2) 1991VID/IHM
(3) 2.0 8.5 (3) TPD (3) 2002DOH/SCO
Mg–Kr 1.60G0.23 6.71G0.96 Spectroscopy 1997KAU/BRE(c)
(continued)
Table 12.2.1 (continued) BDEs of Mg–X Bonds
BDEs (boldfaceZ
recommended data;

–Kr (2) 2.2 9.1 (2) Review (2) 1991VID/IHM
Mg–Xe 2.32G0.43 9.70G1.79 Spectroscopy 1997KAU/LEU

–Xe (2) 2.8 11.7 (2) Review (2) 1991VID/IHM
Mg–H (1) 31.6G1.4 132.0G5.8 Spectroscopy (1) 1976BAL/CAR

(2) 30.2G0.7 126.4G2.9 (2) 1978BAL/LIN
Mg–D (1) 32.3 135.1 Spectroscopy (1) 1979HUB/HER

(2) 38.56G0.08 161.33G0.32 (2) 2000RAJ/RAJ
(InP)Mg–H 32.3G1.8 135.1G7.7 SIMS 1993BAL/KUM
Mg(F)x–F
xZ0 (1) 110.4G1.2 461.9G5.0 (1) MS (1) 1968HIL
(2) 106.5 445.6 (2) CL (2) 1979ENG
DfH0 in ref.
1 (3) 136.1 569
Mg(Cl)x(Cl
xZ0 (1) 77.4G0.5 323.8G2.1 (1) MS (1) 1976FAR/SRI
DfH0 in ref.
1 (2) 112.4 470
Mg(Br)x–Br
xZ0 (1) 78.2 327.2 (1) Spectroscopy (1) 1979HUB/HER

DfH0 in ref.
(3) 75.99 317.96 (3) Spectroscopy (3) 2000HIR/PIN
1 (2) 90.7 379
Mg(I)x–I
1 69.7 292 DfH0 in ref.
Mg–O (1) 78.2G9.2 327G45 (1) Spectroscopy (1) 1978MUR/BAG

(2) 86.8G3.0 363G13 (2) Review (2) 1983PED/MAR
(3) 60G5 251G21 (3) Derived (3) 1989OPE/TEW
Mg–S 56 234 MS 1964COL/GOL
(MgO)–H 105.4 441 Derived from 1996NIST

DfH0 in ref.
Mg(OH)x–OH
xZ0 (1) 67G6 280G25 (1) Derived (1) 1989OPE/TEW
DfH0 in ref.
1 (2) 106.3 445
MgO(powder, 2.3 9.6 IR 1978FUR/FUJ

surf.)–O2

surf.)–CO
MgO(100, surf.) (1) 3.0 (phys) 12.5 (1) TDS (1) 1999WIC/ROD(b)
–CO (2) 3.2 13.5 (2) TDS (2) 2000FRE
(3) 3.2 13.5 (3) TDS (3) 2001ROD/JIR
(4) 3.0 12.5 (4) FT IR (4) 2004SPO/GRI
(5) w6.0 w25 (5) TPD/RAIR (5) 2005STE/RIS
(continued)
Table 12.2.1 (continued) BDEs of Mg–X Bonds
BDEs (boldfaceZ
recommended data;
MgO(100, surf.) (1) 11.5G1.2 48.2G4.8 (1) Mol. beam (1) 1991HEN/CHA
–CO (2) 9.9 41.4 (2) IRAS (2) 1992HE/EST
(3) 17G2 71G8 (3) ED (3) 2001DOH/KIM
MgO(100, 16.1G2.3 67.5G9.6 TDS 2001ABB/RIE

surf.)/Pd–CO

surf.)–N2
MgO(powder, 5.6 (phys) 23.4 IR 1978FUR/FUJ

surf.)–NO
MgO(100, surf.) 5.1 (phys) 21.2 TDS 1999WIC/ROD(b)

–NO
MgO(100, surf.) 12.2 51.1 HAS 1997FER/GLE

–H2O
MgO(100, surf.) 13.4 56.1 LITD 1991ART/MEI

–NH3
MgO(100, surf.) (1) 3.1 13.0 (1) ND (1) 1985COU/MAD

–CH4 (2) 3.3G0.2 14.0G1.0 (2) HAS (2) 1999PIC/GIR
(3) 3.1 13 (3) TPD (3) 2002DOH/SCO
(4) 2.7 11.1 (4) TPD (4) 2005TAI/DOH(b)
MgO(100, surf.)
–C2H6 5.1 21.3 TPD 2005TAI/DOH(b)
–C3H8 6.7 28.0
MgO(100, surf.) 8.2 34.5 TPD 2005TAI/DOH

–C4H10
MgO(100, surf.)
–C6H14 11.0 46.0 TPD 2005TAI/DOH(b)
–C8H18 15.0 62.9
–C10H22 18.5 77.6
BrMg–CH3 60.5 253 Derived 1981HOL

–CH2CH3 49.0 205
–n-C3H7 50.0 209
–i-C3H7 44.0 184
–n-C4H9 50.9 213
–s-C4H9 44.5 186
–i-C4H9 50.9 213
–t-C4H9 41.6 174
–n-C5H11 50.0 209
–s-C5H11 44.7 187
–neo-C5H11 54.0 226
–n-C6H13 50.0 209
–n-C7H15 50.0 209
–n-C8H17 50.0 209
–n-C9H19 49.0 205
–cyclo-C3H5 55.9 234
–cyclo-C4H7 49.0 205
–cyclo-C5H9 48.0 201
–cyclo-C6H11 45.4 190
–cyclo-C7H13 45.9 192
–cyclo-C8H15 47.1 197
–CHCH2 68.6 287
–CH2CHCH2 48.0 201
–CH2C6H5 48.0 201
–C6H5 69.1 289
–C(C6H5)3 43.0 180
12.2.2 MgC–X bonds

Table 12.2.2 BDEs of MgD–X Bonds
BDEs (boldfaceZ
recommended data;
The broken bonds
(boldfaceZ Methods (reference in
MgC–Mg (1) 29G1 122G4 (1) PD (1) 1993DIN/KLE

(2) 30 125 (2) Derived (2) 1996SMI/YAT
(continued)
Table 12.2.2 (continued) BDEs of MgC–X Bonds
BDEs (boldfaceZ
recommended data;
The broken bonds
MgC–Fe %44G3 %184G13 FT-MS 1991ROT/FRE
MgC–Au 64G7 268G29 Derived from IP in ref. 2004BAL/CIO
MgC–Ne 1.2G0.1 4.9G0.6 PI 1999RED/DUN(b)
MgC–Ar (1) 4.3 17.9 (1) PD (1) 1994PIL/YEH

(2) 3.4 14.2 (2) Review (2) 1995ROB/BRO
(3) 4.4G0. 14.6G0.5 (3) R2PI (3) 1997KAU/BRE
(4) 4.59 19.20 (4) Review (4) 1997DUN
(5) 2.7G1.7 11.3G6.8 (5) CID (5) 2000AND/MUN
MgC–Kr (1) 6.1 25.6 (1) PD (1) 1994PIL/YEH

(2) 5.2 21.8 (2) Review (2) 1995ROB/BRO
(3) 6.3G0.2 26.3G1.0 (3) R2PI (3) 1997KAU/BRE
(4) 6.07 25.39 (4) Review (4) 1997DUN
MgC–Xe (1) 12.6 52.6 (1) PD (1) 1994PIL/YEH

(2) 11.7 49.0 (2) Review (2) 1995ROB/BRO
(3) 9.0G0.4 37.8G1.8 (3) R2PI (3) 1997KAU/BRE
(4) 12.84 53.74 (4) Review (4) 1997DUN
(5) 8.3G2.8 34.7G11.6 (5) CID (5) 2000AND/MUN
MgC–H (1) 48.9 204.6 (1) Spectroscopy (1) 1979HUB/HER

(2) 45.6G1.4 190.8G5.8 (2) Ion reactions (2) 1993DAL/CRE
MgC–D 48.7G0.2 203.6G0.8 Spectroscopy 2000RAJ/RAJ
MgC–F (1) 106G10 444G42 (1) Derived (1) 1974GUR/KAR

(2) 114G12 477G50 (2) Derived from IP in (2) 1996NIST
ref.
–Cl (1) 78G10 326G42
(2) 78.2G1.5 327G6.5
MgC–O (1) 53G3 222G13 (1) PD (1) 1989OPE/TEW

(2) 54.4G1.4 227.6G5.8 (2) Re-analysis (2) 1994BAU/STE
(3) 58.6G2.3 245.2G10 (3) CID (3) 1994DAL/ARM
MgOC–O %86.5G0.9 %361.8G3.9 PD 1998CHE/WON(b)
MgC–O2 %26.1G2.5 %109.0G10.6 PD 1998CHE/WON(b)
MgCO–H 124G7 519G29 PD 1989OPE/TEW
MgC–OH (1) 75G4 314G33 (1) PD (1) 1989OPE/TEW

(2) 76G6 318G25 (2) MS (2) 1981MUR
MgC–N2 3.1 13 Review 1994YEH/PIL
MgC(CO)x–CO
xZ0 10.3G1.4 43.1G5.8 CID 2000AND/MUN
1 9.4G0.7 39.4G2.9
MgC(CO2)x–CO2
xZ0 (1) 14.7 61.6 (1) PD (1) 1993YEH/WIL
(2) 14.0G1.4 58.4G5.8 (2) CID (2) 2000AND/MUN
1 (2) 11.4G0.7 47.8G2.9
2 (2) 10.3G1.4 43.0G5.8
MgC(H2O)x–H2O
xZ0 (1) 24.3 101.7 (1) PD (1) 1992WIL/YEH(b)
(2) 25.0 104.6 (2) Review (2) 1997DUN
(3) 29.3G3.0 122.5G12.5 (3) CID (3) 2000AND/MUN
1 (3) 22.9G1.6 95.7G6.8
2 (3) 18.0G2.1 75.5G8.7
3 (3) 11.9G2.1 49.8G8.7
MgC(NH3)x–NH3
xZ0 (1) 38.0G2.8 158.9G11.6 (1) CID (1) 2000AND/MUN
1 (1) 29.6G1.6 123.9G6.8
2 (1) 23.4G2.1 97.8G8.7
3 (1) 10.9G2.5 45.4G10.6
4 (1) 13.6G2.8 57.0G11.6
(continued)
BDEs (boldfaceZ
recommended data;
The broken bonds
MgC(CH4)x–CH4
xZ0 7.1G1.6 29.8G6.8 CID 2000AND/MUN
1 3.1G1.6 12.8G6.8
MgC(MeOH)x
–MeOH
xZ0 (1) 61G5 255G21 (1) FT MS (1) 1988OPE/TEW
(2) 35.3G1.6 147.6G6.8 (2) CID (2) 2000AND/MUN
1 (2) 29.0G1.6 121.2G6.8
2 (2) 22.1G2.1 92.3G8.7
MgC–C2H2 17.4 73.0 PD 1999RED/DUN
MgC–C2H4 16.1G4.6 67.5G19.3 PD 1998CHE/WON
MgC–EtOH (1) 63G5 264G21 (1) FT MS (1) 1988OPE/TEW

(2) 36.7G1.6 153.4G6.8 (2) Recal. (2) 2000AND/MUN
–n-PrOH (1) 64G5 268G21
(2) 37.8G1.6 158.2G6.8
–i-PrOH (1) 65G5 272G21
(2) 38.5G1.6 161.1G6.8
–n-BuOH (1) 65G5 272G21
(2) 38.7G1.6 162.1G6.8
MgC–MeCHO (1) 63G5 264G21 (1) FT MS (1) 1988OPE/TEW

(2) 37.1G1.6 155.3G6.8 (2) Recal. (2) 2000AND/MUN
–EtCHO (1) 65G5 272G21
(2) 38.5G1.6 161.1G6.8
–n-PrCHO (1) 66G5 276G21
(2) 39.4G1.6 165.0G6.8
MgC–MeCOMe (1) 67G5 280G21 (1) FT MS (1) 1988OPE/TEW

(2) 41.3G1.6 172.7G6.8 (2) Recal. (2) 2000AND/MUN
–MeCOEt (1) 68G5 285G21
(2) 42.4G1.6 177.5G6.8
MgC–EtOEt (1) 66G5 276G21 (1) FT MS (1) 1988OPE/TEW

(2) 39.9G1.6 166.9G6.8 (2) Recal. (2) 2000AND/MUN
–tetrahydrofuran (1) 66G5 276G21
(2) 40.1G1.6 167.9G6.8
MgC(C6H6)x
–C6H6
xZ0 (1) %26.9 %112 (1) PD (1) 1992WIL/YEH(b)
(2) 32.5G2.3 136.0G9.6 (2) CID (2) 2000AND/MUN
(3) 37.1 155.2 (3) Kinetics (3) 2000GAP/DUN
1 (3) !32.3 !135
MgC-(Cl)(C6H6)x
–C6H6
xZ0 62 259 Kinetics 2000GAP/DUN
1 !32 !134
MgC(Cl)(L)x–L,
LZmesitylene
xZ0 O46.1 O193 FT-ICR 2000GAP/DUN
1 34.6 145
MgC–pyridine 48.1G1.5 201.3G6.4 CID 2000ROD/STA

–pyrimidine 41.8G1.5 174.9G6.1 2001AMU/ROD
MgC–phenol 38G4 159.0G16.7 Combined 1999RYZ/DUN

–indole 46G4 192.5G16.7
MgC(pyrrole)x–
pyrrole
xZ0 43.9 183.7 Kinetics 2000GAP/YAN
1 !26.0 !108.8
MgC–imidazole 58.3G2.1 243.9G10.4 CID 2004RAN/AMU
Mg2C(H2O)x–H2O
xZ4 (2) 26.3 110.0 (1) ES MS (1) 1998PES/BLA
(2) Combined (2) 1999ROD/JOC(b)
5 (1) 24.6 102.9
(2) 24.2 101.3
6 (1) 20.3 84.9
(continued)
BDEs (boldfaceZ
recommended data;
The broken bonds
(2) 18.7 78.2

7 (1) 18.0 75.3
(3) 15G3 62.8G12.6 (3) HP MS (3) 1990BLA/JAY(b)
(4) 18.9G1.8 79.1G7.7 (4) BIRD (4) 2004WON/PAE
8 (1) 17.0 71.1
(3) 15G3 62.8G12.6
(4) 17.1G1.4 71.4G5.8
9 (1) 15.7 65.7
(3) 15G3 62.8G12.6
(4) 12.7G0.9 53.1G3.9
10 (1) 14.3 59.8
(3) 14G3 58.6G12.6
11 (1) 12.9 54.0
(3) 14G3 58.6G12.6
12 (1) 12.3 51.5
13 (1) 12.1 50.6
Mg2C(Me2CO)x–
Me2CO
xZ5 22.3 93.3 ES MS 2000PES/BLA
6 13.6 56.9
Mg2C(L)x–L,
LZMacAZ
N-methylacetamide
xZ4 25.3 105.9 ES MS 2000PES/BLA
5 22.6 94.7
6 19.9 83.3
12.3 CaK and CaC–X bonds

12.3.1 Ca–X bonds
Table 12.3.1 BDEs of Ca–X Bonds
BDEs (boldfaceZ
recommended data;
Ca–Ca (1) 4.0 16.8 (1) LIF (1) 1980VID

(2) !10 42 (2) EI (2) 1983WU/IHL
(3) w4 w17 (3) Spectroscopy (3) 1995GON/KHA

(4) 3.9 16.3 (4) Review (4) 1996SMI/YAT
(5) 3.95G0.03 16.52G0.11 (5) FT spectrom. (5) 2002ALL/PAS
Ca–Li 20.3G2.0 84.9G8.4 EI 1983WU/IHL
Ca–Au (1) 57.8 242 (1) Review (1) 1980GIN

(2) 59.8G1.0 250.4G4.0 (2) MS (2) 2004BAL/CIO
Ca–Al 12.6 52.7 Spectrometry 1994BEH/MOR
Ca–Ar 1.06G0.14 4.44G0.60 R2PI 1997KAU/BRE(d)

–Kr 1.23G0.17 5.15G0.72
–Xe 1.75G0.23 7.31G0.96
Ca–H (1) 49.3 206.3 (1) MS (1) 1968EHL/HIL

(2) 63.6G1.4 266.2G5.6 (2) Spectrometry (2) 1983NAR/RAJ
(3) 53.5 223.8 (3) Spectrometry (3) 2000URE/GOM
Ca–D %40.6 %169.9 Est. by esp. 1979HUB/HER
Ca(F)x–F
xZ0 (1) 126 527 (1) CL (1) 1979ENG
DfH0 in ref.
1 (2) 141.5 592
Ca(Cl)x–Cl
xZ0 (1) 97.8G2.1 409G8.7 (1) Mol. beam (1) 1993MEN/GAR
DfH0 in ref.
1 (2) 116.7 488
Ca(Br)x–Br
xZ0 (1) 74.3G2.2 310.9G9.2 (1) MS (1) 1977HIL
(continued)
Table 12.3.1 (continued) BDEs of Ca–X Bonds
BDEs (boldfaceZ
recommended data;

DfH0 in ref.
1 (2) 106.9 447
Ca(I)x–I
xZ0 (1) 62.1G2.5 259.8G10.5 (1) MS (1) 1978KLE/HIL
(2) 68.0G2 284.7G8.4 (2) MS (2) 1992HIL/LAU
DfH0 in ref.
1 (3) 86.0 360
Ca–O (1) 96.0G4.0 402G17 (1) Review (1) 1983PED/MAR

(2) 92.8G1.2 383.3G5.0 (2) MS (2) 1995SAM/KAZ
Ca–S (1) 74.6G4.5 312.1G18.8 (1) MS (1) 1964COL/GOL

(2) 80G5 335G21 (2) Review (2) 1974GUR/KAR
(CaO)–H 108.9 456 Derived from 1996NIST

DfH0 in ref.
Ca(polycs. surf.)–H2 1.7–4.0 7.1–16.7 Review 1964HAY/TRA
Ca(OH)x–OH
xZ0 (1) 92G4 385G17 (1) HT MS (1) 1981MUR
DfH0 in ref.
1 (2) 108.6 454
Ca–HCl (1) 4.6 19.3 (1) CL (1) 1992SOE/ABB

(2) %3.5 %14.5 (2) Mol. beam (2) 1994MEN/GAR
Ca(polycs. surf.)–N2 1.5–3.8 6.3–15.9 Review 1964HAY/TRA

Ca–CH3 46% 192% Spectroscopy 1987BRA/BER
Cl2Ca–ethleneurea 48.1 201.2 Calorimetry 2001FAR/AIR

–2(ethyleneurea) 36.3 151.8
–ethylenethi- 48.1 201.1
ourea
–2(ethylenethi- 37.1 155.2
ourea)
–propyleneurea 46.5 194.5
–2(propyl- 34.4 143.8
eneurea)
12.3.2 Ca+–X bonds

Table 12.3.2 BDEs of CaD–X Bonds
BDEs (boldfaceZ
recommended data;
The broken bonds
dissociated fragment) kcal/mol kJ/mol in parentheses) References
CaC–Ca 24.9 104.1 Derived 1996SMI/YAT
CaC–Au 73G7 306G29 Derived from IP 2004BAL/CIO

in ref.
CaC–Ne 1.18G0.01 4.95G0.06 REPD 2000RED/PUL
CaC–Ar (1) 3.4 14.4 (1) PD (1) 1995BUT/BEL

(2) 2.89G0.29 12.09G1.20 (2) PD (2) 1996PUL/SCU
(3) 2.99 12.50 (3) Review (3) 1997DUN
(4) 3.10G0.14 12.99G0.60 (4) R2PI (4) 1997KAU/BRE(b)
CaC–Kr (1) 3.3 13.8 (1) PD (1) 1995BUT/BEL

(2) 4.89G0.43 20.46G1.79 (2) PD (2) 1996PUL/SCU
(3) 5.27 22.04 (3) Review (3) 1997DUN
(4) 4.45G0.17 18.60G0.72 (4) R2PI (4) 1997KAU/BRE(b)
CaC–Xe (1) 7.46G0.43 31.23G1.79 (1) PD (1) 1996PUL/SCU
(continued)
Table 12.3.2 (continued) BDEs of CaC–X Bonds
BDEs (boldfaceZ
recommended data;
The broken bonds
(2) 7.07 29.58 (2) Review (2) 1997DUN

(3) 6.07G0.23 25.38G0.96 (3) R2PI (3) 1997KAU/BRE(b)
CaC–H (1) 47.7 199.7 (1) Spectroscopy (1) 1982MCF/SCH

(2) 46.4G2.8 194G12 (2) GIB MS (2) 1988GEO/ARM
in ref.
CaC–F (1) 129G10 540G42 (1) Derived (1) 1974GUR/KAR

(2) 134.4G2.3 562.4G9.6 (2) Derived (2) 1994JAK/HAR
in ref.
CaC–Cl (1) 97G10 406G42 (1) Derived (1) 1974GUR/KAR

in ref.
CaC–Br 99.8G2.4 417.6G10 Derived from IP 1996NIST

in ref.
–I 70.2G2.6 293.7G10.8
CaC–O (1) 58G12 241G48 (1) High temp. MS (1) 1981MUR

(2) 76.1G2.3 318.4G9.6 (2) Tandem MS (2) 1983MUR
(3) 83.2G1.2 348G5 (3) GIB MS (3) 1990FIS/ELK
(4) 77.2 323 (4) Derived (4) 2004LAV/BLA
CaC–Al 34.6 144.7 Spectrometry 1994BEH/MOR
CaCO–H 150G14 627G58 High temp. MS 1981MUR
CaC–OH (1) 106G7 444G29 (1) High temp. MS (1) 1981MUR

(2) 104.0G3.5 435.1G14.5 (2) Tandem MS (2) 1983MUR
CaC–N2 (1) 4.49 18.79 (1) Review (1) 1997DUN

(2) 5.0G1.4 21.0G6.0 (2) PD (2) 1998PUL/RED
CaC(H2O)x–H2O
xZ0 (1) 28 117.2 (1) HP MS (1) 1987KOC/CON
1 (1) 24 100.4
2 (1) 21.5 90.0
3 (1) 18.7 78.2
4 (1) 17.5 73.2
CaC(OH)–H2O 34.4 144 MS 1982BUR/HAY
CaC–OCH2 w20.8G4.6 w86.8G19.3 PD 2003LU/WON
CaC–C2H2 18.6G5.0 77.8G20.9 PD 1998FRA/PUL
CaC(C6H6)x–C6H6
xZ0 32 134 Derived 2002GAP/DUN
1 30 126
CaC(Cl)(C6H6)x–
C6H6
1 36 151
CaC(Br)(C6H6)x–
C6H6
1 32 134
CaC(L)x–L,
LZmesitylene
xZ0 32 134 FT-ICR 2000GAP/DUN
(continued)
Table 12.3.2 (continued) BDEs of CaC–X Bonds
BDEs (boldfaceZ
recommended data;
The broken bonds
1 30 125
CaC(Cl)(L)x–L,
LZmesitylene
xZ0 w46 w193 FT-ICR 2000GAP/DUN
1 37 155
CaC(Br)(L)x–L,
LZmesitylene
1 32 134
CaC–imidazole 44.5G0.9 186.3G3.9 CID 2004RAN/AMU
Ca2C(H2O)x–H2O
xZ4 (1) 26.3G1.4 110.0G5.9 (1) IR radiation (1) 1998ROD/JOC
(2) 26.7 111.7 (2) Combined (2) 1998ROD/JOC(b)
5 (1) 21.9G1.4 91.6G5.9
(2) 22.0 92.0
(3) 25.3 105.9 (3) ES MS (3) 1998PES/BLA
6 (1) 16.4G1.2 68.6G5
(2) 16.8 70.3
(3) 16.9 70.7
7 (3) 16.1 67.4
(4) 17.5G1.4 73.3G5.8 (4) BIRD (4) 2004WON/PAE
8 (3) 15.3 64.0
(4) 15.5G1.4 64.6G5.8
(5) 15G3 62.8G12.6 (5) HP MS (5) 1990BLA/JAY(b)
9 (3) 14.5 60.7
(4) 11.8G1.4 49.2G5.8
(5) 15G3 62.8G12.6
10 (3) 13.3 55.6
(5) 14G3 58.6G12.6
11 (3) 13.0 54.4
(5) 14G3 58.6G12.6
12 (3) 12.4 51.9
13 (3) 11.9 49.8
Ca2C(Me2CO)x–
Me2CO
xZ5 24.2 101.3 ES MS 2000PES/BLA
6 11.6 48.5
Ca2C(L)x–L,
LZMacAZ
N-methyl-
acetamide
xZ5 23.7 99.2 ES MS 2000PES/BLA
6 19.6 82.0
7 17.9 74.9
8 17.5 73.2
Ca2C–a-amlase 3.8 16.0 UV 2002SAB
12.4 SrK and SrC–X bonds

12.4.1 Sr–X bonds
Table 12.4.1 BDEs of Sr–X Bonds
BDEs (boldfaceZ
recommended data;
Sr–Sr (1) 3.7G0.1 15.5G0.4 Spectroscopy (1) 1982GER/MOE

(2) 3.98G0.29 16.64G1.12 (2) 1984GER/MOL
Sr–Au (1) 88 368 Review (1) 1973LIT/SPA

(2) 63G10 264G42 (2) 1974GUR/KAR
Sr–H 39.2G2 164G8 Spectroscopy 1979HUB/HER

–D 40.1 167.7
Sr(F)x–F
xZ0 (1) 129.5G1.6 541.8G6.7 (1) MS (1) 1968HIL
(2) 126.8 531 (2) CL (2) 1979ENG
(continued)
Table 12.4.1 (continued) BDEs of Sr–X Bonds
BDEs (boldfaceZ
recommended data;

DfH0 in ref.
1 (3) 131.7 551
Sr(Cl)x–Cl
DfH0 in ref.
1 112.5 471
Sr(Br)x–Br
xZ0 (1) 79.6G2.2 333.0G9.2 (1) MS (1) 1977HIL
DfH0 in ref.
1 (2) 102.7 430
Sr(I)x–I
xZ0 (1) 64.5G1.4 269.9G5.9 (1) MS (1) 1978KLE/HIL
DfH0 in ref.
1 (2) 83.9 351
Sr–O (1) 101.8G4.0 426G17 (1) Review (1) 1983PED/MAR

(2) 101.9G1.5 426.3G6.3 (2) MS (2) 1994SAM/KAZ
Sr–S (1) 75.0G4.5 314G18.8 MS (1) 1964COL/GOL

(2) 80.9G4 338.5G16.7 (2) 1967CAT/JOH
Sr–Se 60.0G3 251.0G12.6 MS 1966BER/CHU
(SrO)–H 98.0 410 Derived from 1996NIST

DfH0 in ref.
Sr(OH)x–OH
xZ0 (1) 92G4 385G17 (1) HT MS (1) 1981MUR
DfH0 in ref.
1 (2) 102.0 427
Sr–CH3 43% 180% Spectroscopy 1987BRA/BER
12.4.2 SrC–X bonds

Table 12.4.2 BDEs of SrD–X Bonds
BDEs (boldfaceZ
recommended data;
SrC–Sr (1) 25.9G0.4 108.5G1.6 (1) R2PI (1) 1992DUG/CHE

(2) 26.3 109.8 (2) Derived (2) 1996SMI/YAT
Sr2C(Sr)16–Sr 34.6G6.9 144.7G28.9 PD 1998BRE/CAH
SrC–Ne 1.08 4.52 PD 1997LUD/PRE
SrC–Ar 3.18G0.70 13.32G2.92 Photofrag. 1996LUD/VEL
SrC–Kr 4.33G1.66 18.13G6.94 PD 1998PRE/FEN
SrC–Xe 6.5G1.5 27.0G6.3 Photofrag. 2001MAS/SFO
SrC–H 50.0G1.3 209G5 CID 1993DAL/CRE
SrC–F (1) 147G12 615G50 (1) Derived (1) 1974GUR/KAR

(2) 139.8G2.4 584.8G10 (2) Derived from (2) 1996NIST
IP in ref.
–Cl (1) 98G10 410G42
(2) 102G2 427G8.4
(continued)
Table 12.4.2 (continued) BDEs of SrC–X Bonds
BDEs (boldfaceZ
recommended data;
SrC–Br 90.3G2.0 378.1G8.4 Derived from IP 1996NIST

in ref.
–I 73.7G2.3 308.2G9.6
SrC–O (1) 66.9G4.6 279.8G19.3 (1) High temp. MS (1) 1981MUR

(2) 70.8G3.5 296.2G14.5 (2) Tandem MS (2) 1983MUR
(3) 81.0G1.4 339G6 (3) CID (3) 1994DAL/ARM
(4) 71.4 298.7 (4) Derived (4) 2004LAV/BLA
SrCO–H 141G9 589G39 High temp. MS 1981MUR
SrC–OH (1) 106.1G4.6 443.8G19.3 (1) High temp. MS (1) 1981MUR

(2) 105.4G2.3 440.9G9.6 (2) Tandem MS (2) 1983MUR
SrC–CO 4.9 20.3 Photofrag. 2002FAR/FIL
SrC–CO2 10.0 41.9 PD 2005MAS/VEL
SrC(H2O)x–H2O
xZ0 (1) 34.5 144.3 (1) HP MS (1) 1976TAN/LIA
1 (1) 30.5 127.6
2 (1) 25.7 107.5
3 (1) 22.3 93.3
4 (1) 20.6 86.2
(2) 20.9 87.4
5 (1) 18.3 76.6
(2) 17.1 71.5
6 (1) 17.3 72.4
7 (1) 16.4 68.6
SrC(OH)–H2O 29.9 125 MS 1982BUR/HAY
SrC–CH3OD 23 96 PD 2002LEE/QIA
SrC(C6H6)x–C6H6
1 28 117
SrC(Cl)(C6H6)x–C6H6
1 36 151
SrC(Br)(C6H6)x–C6H6
1 30 126
SrC(L)x–L,
LZmesitylene
1 28 115
SrC(Cl)(L)x–L,
LZmesitylene
1 35 146
SrC(Br)(L)x–L,
LZmesitylene
1 30 126
Sr2C(H2O)x–H2O
xZ5 (1) 22.7 95.0 (1) ES MS (1) 1998PES/BLA
6 (1) 17.0 71.1
(2) 17.1 71.5
7 (1) 16.1 67.4
8 (1) 15.5 64.9
(3) 15G3 62.8G12.6 (3) HP MS (3) 1990BLA/JAY(b)
9 (1) 14.9 62.3
(3) 14G3 58.6G12.6
10 (1) 14.2 59.4
(3) 14G3 58.6G12.6
11 (1) 13.7 57.3
(3) 14G3 58.6G12.6
12 (1) 13.0 54.4
12.5 BaK and BaC–X bonds

12.5.1 Ba–X bonds
Table 12.5.1 BDEs of Ba–X Bonds
BDEs (boldfaceZ
recommended data;
Ba–Rh 62.0G6.0 259.4G25 MS 1978GIN/CHO
Ba–Pd 53.0G1.2 221.8G5.0 MS 1978GIN/CHO
Ba–Au 60.9G2.4 254.8G10 MS 1980GIN
Ba–H 45.9 192.0 Spectroscopy 1979HUB/HER

–D %46.3 %193.7
Ba(F)x–F
xZ0 (1) 140.3G1.6 587G6.7 (1) MS (1) 1968HIL
(2) 136.6 571.5 (2) CL (2) 1979ENG
DfH0 in ref.
1 (3) 134.1 561
Ba(Cl)x–Cl
xZ0 (1) 104.2G2 436.0G8.4 (1) MS (1) 1977HIL
DfH0 in ref.
1 (2) 114.2 478
Ba(Br)x–Br
xZ0 (1) 85.5G2.2 357.7G9.2 (1) MS (1) 1977HIL
(2) 86.7G2 362.8G8.4 (2) CL (2) 1978EST/ZAR
DfH0 in ref.
1 (3) 101.8 426
Ba(I)x–I
xZ0 (1) 72.9G2 305.0G8.4 (1) CL (1) 1978EST/ZAR
(2) 78.5G0.5 328.4G2.1 (2) LIF (2) 1986JOH/ALL
(3) 78.6G2 328.9G8.4 (3) Recommend (3) 1990VAC/ZHA
(4) 77.1G1.5 322.6G6.3 (4) MS (4) 1992HIL/LAU
DfH0 in ref.
1 (5) 87.8 367
Ba–O 134.3G3.2 562G13.4 Review 1983PED/MAR
Ba–S (1) 95.6 G4.5 400.0G18.8 (1) MS (1) 1964COL/GOL

(2) 100G5 418G21 (2) Review (2) 1974GUR/KAR
(BaO)–H 76.6 320 Derived from 1996NIST

DfH0 in ref.
Ba(OH)x–OH
xZ0 (1) 107 448 (1) MS (1) 1960STA/BER
(2) 107G4 448G17 (2) HT MS (2) 1981MUR
DfH0 in ref.
1 (1) 99 414.2
(3) 104.5 437
(BaO)–BaO 89G11 372G46 Review 1967DRO/GOL
Ba(polycs. surf.)–N2 2–4 8.4–16.7 Review 1964HAY/TRA
Ba–OCH3 87.6G2.3 366.6G9.6 CL 1993PUJ/SUB
Ba–C2 139.0G3.5 581.7G14.8 MS 1985GIN/CHO

12.5.2 BaC–X bonds

Table 12.5.2 BDEs of BaD–X Bonds
BDEs (boldfaceZ
recommended data;
BaC–Ar 2.83 11.85 Spectroscopy 1995PAN/WIL
BaC–D 58.6G2.3 245.2G9.6 CID 1980ARM/BEA(c)
BaC–F (1) 147G10 615G42 (1) Derived (1) 1974GUR/KAR

(2) 148.2G2.3 620.2G9.6 (2) Derived (2) 1994JAK/HAR
(3) 153G7 640G29 (3) Derived from (3) 1996NIST
IP in ref.
–Cl (1) 111G10 464G42
(3) 111.9G2.4 468.2G10
BaC–Br 100.0G2.4 418G10 Derived from IP 1996NIST

in ref.
–I 80.1G2.4 335G10
BaC–O (1) 94.5G4.6 395.6G19.3 (1) High temp. MS (1) 1981MUR

IP in ref.
(3) 92.8 388 (3) Derived (3) 2004LAV/BLA
BaCO–H 133.8G9 560G39 High temp. MS 1981MUR

BaC–OH 126.8G4.6 530.7G19.3
Ba2C(H2O)x–H2O
xZ3 (2) 26.4 110.5 (1) ES MS (1) 1998PES/BLA
(2) Combined (2) 1999ROD/JOC
4 (1) 23.9 100.0
(2) 21.7 90.8
5 (1) 19.8 82.8
(2) 18.6 77.8
6 (1) 16.9 70.7
(2) 16.0 66.9
7 (1) 15.8 66.1

8 (1) 15.1 63.2
9 (1) 14.1 59.0
10 (1) 13.4 56.1
11 (1) 12.4 51.9
12 (1) 11.6 48.5
13 (1) 10.9 45.6
12.6 Ra–X bonds

Table 12.6 BDEs of Ra–X Bonds
BDEs (boldfaceZ
recommended data;
Ra–Cl 82G18 343G75 Spectroscopy 1968GAY

chapter thirteen
BDEs of Sc(ScC)–, Y(YC)–, La(LaC)–,

and Ac(AcC)–X bonds
13.1 ScK and ScC–X bonds

13.1.1 Sc–X bonds
Table 13.1.1 BDEs of Sc–X Bonds
BDEs (boldfaceZ
recommended data;
Sc–Sc (1) 38.0G5 159G21 (1) MS (1) 1974GUR/KAR

(2) 38.7 162 (2) Review (2) 1979MIE/GIN
(3) 30.9 129.1 (3) Raman (3) 1984MOS/DIL
(4) 39.0G5 163G21 (4) MS (4) 1989CHA/GIN
Sc–Rh 106G2.6 444G11 MS 1989CHA/GIN

–Au 66.9G9.6 280G40
Sc–H (1) 47.5G2 198.7G8 (1) MS (1) 1981KAN/MOO

(2) 48.3G2 202G8 (2) Review (2) 1990SIM/BEA
(3) 49G4 205G17 (3) Recommend. (3) 1991ARM/SUN
Sc(F)x–F
xZ0 (1) 140.8G3 589G13 MS (1) 1967ZMB/MAR(b)
(2) 143.2G3.2 599.1G13.4 (2) 1995HIL/LAU
1 (1) 140.3G5 587G21
(2) 148.8G4.1 622.6G17.2
(continued)
601
Table 13.1.1 (continued) BDEs of Sc–X Bonds
BDEs (boldfaceZ
recommended data;
2 (1) 157G7 657G29

(2) 155.7G6.4 651.4G26.8
Sc–Cl 79.1 331 Est. by exp. 1979HUB/HER
Sc–Br 106G15 444G63 Review 1974GUR/KAR
Sc–O (1) 162.5G2.4 680G10 (1) Re-evaluated (1) 1989CHA/GIN

(2) 162.8G2.2 681G9 (2) Review (2) 1990SIM/BEA
(3) 160.3G2.1 670.8G8.9 (3) Equilibrium (3) 1999ROS/WAH
(5) 160.5G0.2 671.4G1.0 (5) LIF (5) 2001LUC/VET
Sc–S (1) 114.3G3.0 478.2G12.6 MS (1) 1975STE/CAT

(2) 112.0G4.5 468.6G18.8 (2) 1976TUE/LAA
Sc–Se 92G4 385G17 Review 1974GUR/KAR

–Te 69G4 289G17
Sc–N 111G20 464G84 Review 1974GUR/KAR
Sc–C (1) 106.1G5 444G21 (1) Review (1) 1990SIM/BEA

–C2 (1) 136.7 572
(2) 141G6 592G25 (2) Derived (2) 1989CHA/GIN
–C3 (2) 110G10 460G40
–C4 (2) 138G11 579G45
–C5 (2) 133G14 556G60
Sc–Si 54.3G3.3 227.2G14 MS 1989KIN/GIN

–Ge 64.5G2.6 270G11
BDEs of Sc(ScC)–, Y(YC)–, La(LaC)–, and Ac(AcC)–X Bonds 603
Sc–B 65G15 272G63 Review 1974GUR/KAR
F3Sc–LiF 75.4 315.5 Derived 1985ZHU/NIK

–NaF 78.2 327.0
–KF 84.4 353.1
–RbF 86.3 361.0
–CsF w81.3 w340
Sc–CH3 28G7 116G29 GIB MS 1990ARM
Sc–C6H6 14.5G6.0 60.8G25.0 Derived 1999KUR/TAK
13.1.2 ScC–X bonds

Table 13.1.2 BDEs of ScD–X Bonds
BDEs (boldfaceZ
recommended data;
Sc+–Fe (1) 48G5 201G21 (1) PD 1987HET/FRE

(2) 49G6 205G25 (2) Ion reactions
Sc+(H)x–H
xZ0 (1) 54.9G4 229.7G17 (1) Ion beam (1) 1984TOL/BEA
(2) 56.2G2 235G8 (2) Review (2) 1987SCH/GOD
(3) 57.1G2.1 239G9 (3) GIB MS (3) 1989SUN/ARM
(4) 50.9G1.4 213.0G5.8 (4) GIB MS (4) 1993DAL/CRE
1 (3) 58.3G3.7 244G15
(H)Sc+–D 60G4 251G17 Est. by exp. 1999CRE/BEA
Sc+–F (1) 147G11 615G46 (1) Derived (1) 1974GUR/KAR

IP in ref.
(continued)
Table 13.1.2 (continued) BDEs of ScC–X Bonds
BDEs (boldfaceZ
recommended data;
Sc+–2H (1) 115.5G3.0 483G13 (1) GIB MS (1) 1989SUN/ARM

(2) 111.6G1.2 467G5 (2) Review (2) 1996ARM/KIC
Sc+(H2)x–H2
1 6.9G0.3 28.9G1.3
2 5.4G0.3 22.6G1.3
3 5.4G0.3 22.6G1.3
(F2Sc+)(NaF)x–NaF
xZ1 83 347 MS 1986TSI/GUS
2 72 301
3 67 280
Sc+–C 77.9G1.4 326G6 GIB MS 1991CLE/ELK
Sc+–CH2 (1) R93.4G2.5 R391G10 GIB MS (1) 1987SUN/ARI

(2) 98.5G5.3 412G22 (2) 1989SUN/ARM
Sc+(CH3)x–CH3
xZ0 (1) 59.0G3 247G13 GIB MS (1) 1987SUN/ARI
(2) 55.7G2.4 233G10 (2) 1996ARM/KIC
1 (3) 55.0G2.6 230.1G10.9 (3) 1990SUN/ARM(b)
(H)Sc+–CH3 58.2G2.4 243.5G10.0 GIB MS 1990SUN/ARM(b)
Sc+–C2H2 (1) 77.9G2.3 326G10 (1) GIB MS (1) 1987SUN/ARI

(2) 52G3 218G13 (2) PD (2) 1992RAN/FRE
(3) 57G5 240G20 (3) Review (3) 1996ARM/KIC
–C2H4 (1) R35.0G1.2 R146G5
(3) R31 R131
(4) 32 133.9 (4) Review (4) 1998SCH/SCH

–(CH3)2 (3) 110.9G1.2 464G5
Sc+–C4H6 R29 R121 Ion reactions 1990SUN/ARM
Sc+–C6H4 88G5 368G21 PD 1991HUA/HIL
Sc+–C6H6 53G5 222G21 FT-MS 1988LEC/FRE
(Cl)Sc+(C6H6)x–C6H6
1 44 184
(Br)Sc+(C6H6)x–C6H6
1 43 180
(Cl)2Sc+(C6H6)x–C6H6
1 34 142
(I)Sc+(C6H6)x–C6H6
1 43 180
(I)2Sc+(C6H6)x–C6H6
1 40 167
Sc+(O)x–O
xZ0 (1)164.6G1.3 689G5 GIB MS (1) 1993CLE/ARI
1 (2) 39.7G4.4 166G18 (2) 1992CLE/DAL
(continued)
Table 13.1.2 (continued) BDEs of ScC–X Bonds
BDEs (boldfaceZ
recommended data;
Sc+(S)–O 90.6G7.4 379.2G30.9 Derived 2006KRE/SCH
Sc+–O2 86.3 361 Review 2006SCH
Sc+–OH (1) 87.8 367.4 (1) TQ-MS (1) 1989MAG/DAV(b)

(2) 119.2G2.1 499G9 (2) GIB MS (2) 1993CLE/ARI
(3) 121.8G3.0 509.4G12.6 (3) FAB (3) 1993MCC/LEB
Sc+–H2O 31.4 131 TQ-MS 1989MAG/DAV(b)
Sc+–OCD2 39G5 163G21 FT-ICR 1999CRE/BEA

–OCHCH3 43G5 178G21
–CD3OH 30G5 126G21
–CH3CH2OH 35G5 146G21
Sc+–S (1) 114.6G1.2 479.5G4.8 Ion reactions (1) 2000KRE/SCH

(2) 126.6G4.2 529.7G17.4 (2) 2006KRE/SCH
Sc+(O)–S 49.3G9.7 206.5G40.5 Derived 2006KRE/SCH
Sc+(S)–S 88.1G5.7 368.6G65.6 Derived 2006KRE/SCH
Sc+–CS (1) 31.8G1.8 133.1G7.7 Ion reactions (1) 2000KRE/SCH

(2) 32.7G1.8 137.0G7.7 (2) 2006KRE/SCH
Sc+–Se 113.7G2.0 475.8G8.4 Derived from IP in ref. 1996NIST
Sc+–NH (1) 119.0G2.3 498G10 (1) GIB MS (1) 1990CLE/SUN

(2) 115.4G2.3 483G10 (2) Review (2) 1996ARM/KIC
–NH2 (1) 85.1G1.6 356G7

(2) 82.9G1.2 347G5
Sc+–pyridine 55.5G2.5 232.4G10.3 CID 2000ROD/STA

Sc+–imidazole R44.6G1.2 R186.7G5.1 CID 2004RAN/AMU

%65.2G2.1 %272.8G8.8
Sc+–Si 57.9G2.5 242.3G10.5 Ion reactions 1995CHE/ARM(c)

–SiH 53.7G2.5 224.7G10.5
–SiH2 50.0G1.8 209.2G7.5
–SiH3 40.6G3.7 169.9G15.5
Sc2+–OH 108G7 452G29 FAB 1993MCC/LEB
13.2 YK and YC–X bonds

13.2.1 Y–bonds
Table 13.2.1 BDEs of Y–X Bonds
BDEs
Y–Y (1) 38 160 (1) Review (1) 1979MIE/GIN

(2) 38G5 160G21 (2) MS (2) 1989CHA/GIN
(3) w65G9 w270G39 (3) Spectroscopy (3) 2002FAN/CHE
Y–La 46G5 192G21 Review 1974GUR/KAR
Y–Co 60.64G0.02 253.71G0.10 Spectrometry 1994ARR/BLU
Y–Rh 106.6G2.6 446G11 MS 1989CHA/GIN
(continued)
Table 13.2.1 (continued) BDEs of Y–X Bonds
BDEs
Y–Ir (1) 110.4G4.6 461.9G9.6 MS (1) 1986MOR

(2) 109.2G3.6 457G15 (2) 1989CHA/GIN
Y–Ni 67.86G0.02 283.92G0.10 Spectrometry 1994ARR/BLU
Y–Pd 57.6G3.6 241G15 MS 1989CHA/GIN

–Pt 113.3G2.9 474G12
Y–Au 74.1G2.9 310G12 MS 1989CHA/GIN
Y(F)x–F
xZ0 163.8G3.2 685.3G13.4 MS 1995HIL/LAU
1 145.6G3.2 609.2G13.4
2 151.6G4.7 634.3G19.7
Y–Cl 125G20 523G84 Review 1974GUR/KAR

–Br 115G20 481G84
Y–I 101.0G3 422.6G12.5 Spectroscopy 1982RED/RAO
Y(O)x–O
xZ0 (1) 171.8G2.4 719G10 (1) Re-evaluated (1) 1989CHA/GIN
(2) 171.8G2.6 719G11 (2) Review (2) 1990SIM/BEA
(3) 165.5G4.2 692.5G17 (3) Spectroscopy (3) 1999LIN/SIM
(5) 170.7G2.4 714.1G10.2 (5) Derived from (5) 2004HEY/CHA
DfH0 in ref.
1 (6) 95.5G5 399G21 (6) Ion reactions (6) 1992CLE/DAL
Y–S 126.3G2.5 528.4G10.5 MS 1975STE/CAT(b)

Y–Se 104G3 435G13 Review 1974GUR/KAR

–Te 81G3 339G13
Y–N 114G15 477G63 Review 1974GUR/KAR
Y–C (1) 100G15 418G63 (1) Review (1) 1990SIM/BEA

(2) 99.9G3.3 418G14 (2) MS (2) 1992SHI/PEL
–C2 (1) 152.5 638
–C3 (3) 115G13 483G55
–C4 (3) 155G13 649G55
–C5 (3) 119G14 497G60
Y–Si 61.7G4 258G17 MS 1989CHA/GIN

–Ge 66.7G2.6 279G11
Y–B 69G15 289G63 Review 1974GUR/KAR
Y(polycr. surf.)–O2 264.6 1107 Calorimetry 1988CER/KOV
(YO)–YO 108G11 452G46 Review 1967DRO/GOL
Y–CHO 58–73 243–305 Mol. beam 1999STA/HIN
F3Y–LiF w70.7 w296 Derived 1985ZHU/NIK

–NaF w80.0 w335
–KF w82.5 w345
–RbF w83.4 w349
–CsF w81.3 w340
13.2.2 YC–X bonds

Table 13.2.2 BDEs of YD–X Bonds
BDEs
Y+–Y 67G5 281G21 Derived from IP 1996NIST

in ref.
–Pt 111G46 466G192
Y+(H)x–H
xZ0 62.3G1.4 260.5G5.8 GIB MS 1989SUN/ARM
1 65.0G2.1 272G9
Y+–2H (1) 127.3G1.6 533G7 GIB MS (1) 1989SUN/ARM

(2) 123.3G1.2 516G7 (2) 1996ARM/KIC
Y+–F (1) 142G12 594G50 (1) Derived (1) 1974GUR/KAR

IP in ref.
Y+–C (1) 67.1G2.8 281G12 Ion reactions (1) 1996SIE/CHE(b)

–CH2 (2) 95.2G3 398G13 (2) 1989SUN/ARM
–CH3 (2) 59.5G1.2 249G5.0
Y+–C2H2 (1) 60G7 251G29 (1) GIB MS (1) 1989SUN/ARM

(2) 52G3 218G13 (2) PD (2) 1992RAN/FRE
–C2H4 (1) R26 R109
(3) O33 O138 (3) FT-MS (3) 1987HUA/WIS
Y+NH–C2H4 O42 O176 Derived 1996RAN/HIL
Y+–C3H4 O71 O297 FT-MS 1987HUA/WIS

–C3H6 O31 O130
–C4H6 O57 O238
Y+–C6H6 54G5 226G21 Ion reactions 1996RAN/HIL

Y+(O)x–O
xZ0 (1) 167.9G4.2 702.5G17 (1) CID (1) 1996SIE/CHE(b)
(2) 171.6G6 718G25 (2) CID (2) 2002JAC/KIN
(3) 172.1 720 (3) Review (3) 2006SCH
1 (3) 43.5 182
(4) 40.5G3.7 170G15 (4) CID (4) 1992CLE/DAL
(5) 32.3G11.5 135G48 (5) CID (5) 1999SIE/ARM(b)
Y+–O2 94.9 397 Review 2006SCH
Y+(O)x–CO
xZ0 7.1G2.5 29.9G10.6 CID 1999SIE/ARM(b)
1 16.4G0.9 68.5G3.9
2 15.9G0.7 66.6G2.9
Y+(O)–CO2 20.5G1.2 86G5 Ion reactions 1999SIE/ARM(b)
Y+–S 127.6G2 533.9G8 Ion reactions 2003ARM
Y+–CS 32.7G1.9 137G8 Ion reactions 2000ROD/ARM(b)
Y+–Te 86G23 360G96 Derived from 1996NIST

IP in ref.
Y+–Si 58.1G3 243G13 GIB MS 1995KIC/ARM(c)

–SiH 63.6G3.7 266G16
–SiH2 R55.1G1.6 R231G7
–SiH3 49.1G3.7 205G16
Y+–NH O101 O423 FT MS 1996RAN/HIL

13.3 LaK and LaC–X bonds

Table 13.3 BDEs of La– and LaD–X Bonds
BDEs (boldfaceZ
recommended data;
La–La (1) 58.6 245 (1) Review (1) 1979MIE/GIN

(2) 59.0G5 247G21 (2) MS (2) 1989CHA/GIN
(3) 58.5 244.9 (3) Spectroscopy (3) 2000SHE/FAN
La–Y 46G5 192G21 Review 1974GUR/KAR
La–Rh 131.5G2.9 550G12 MS 1989CHA/GIN

–Ir 137.9G2.9 577G12
La–Pt 120.7G2.9 505G12 MS 1989CHA/GIN
La–Au (1) 80.2G2.3 335.7G9.6 (1) Review (1) 1986MOR

(2) 109.2G6.7 457G28 (2) MS (2) 1989CHA/GIN
La(F)x–F
xZ0 157.5G4.1 659.0G17.2 MS 1995HIL/LAU
1 153.2G3.2 641.0G13.4
2 149.2G5.4 624.3G22.6
La–Cl 124.7 521.6 Correlation 1999KAL/HEA

–Br 106.7 446.2
–I 98.4 411.7
La(O)x–O
xZ0 (1) 191.0G2.3 799G9.6 (1) Re-evaluated (1) 1989CHA/GIN
(2) 191.4G2.6 801G11 (2) Review (2) 1990SIM/BEA
(3) 189.1G2.3 791.2G9.6 (3) Review (3) 1991COC/NYU
(4) 190.7 798 (4) Review (4) 1994HAI
1 (5) 96.9G7.6 405G32 (5) Ion reactions (5) 1992CLE/DAL
La–O2 244.4G2.3 1022.7G9.6 Review 1991COC/NYU
La–S (1) 136.9G3.0 572.8G12.6 (1) MS (1) 1975STE/CAT

(2) 137.0G0.4 573.4G1.7 (2) Spectroscopy (2) 1977JON/GOL
(3) 114.7 480 (3) Spectroscopy (3) 1997NAG/RAJ
La–Se (1) 114.9G3.6 480.7G15 MS (1) 1970BER/COP

(2) 116.1G3.5 485.7G14.6 (2) 1974NAG/SHI
La–Te (1) 92.2G3.6 385.6G15 MS (1) 1970BER/COP

(2) 86.6 362 (2) 1982GOR/FEN(b)
La–N 124G10 519G42 Review 1974GUR/KAR
La–C (1) 110.7G5 463G20 (1) Review (1) 1990SIM/BEA

–C2 (1) 157.5 659
–C3 (2) 119G10 497G40
–C4 (2) 153G14 641G60
–C5 (2) 126G16 527G65
La–B 80G15 335G63 Review 1974GUR/KAR
F3La–LiF w60.9 w255 Derived 1985ZHU/NIK

–NaF w76.0 w318
–KF w72.7 w304
–RbF w73.6 w308
–CsF w71.5 w299
Pt(111, surf.)/La–CO 20.8G2.3 86.8G9.6 TPD 1999RAM/RAA
(LaO)–LaO 86G10 360G42 Review 1967DRO/GOL
(continued)
Table 13.3 (continued) BDEs of La– and LaC–X Bonds
BDEs (boldfaceZ
recommended data;
La(h5-C5Me5)2– 66.6G2.5 278.7G10.5 Review 1994NOL

CH(SiMe3)2
La+–Fe 48G5 201G21 Ion reactions 1988HUA/FRE
La+–Rh 82.5G23.2 345G97 Derived from 1996NIST

IP in ref.
–Ir 128G23.2 536G97
La+–Pt 124.8G18.6 522G78 Derived from 1996NIST

IP in ref.
La+–Au 104.1G23 436G97 Derived from 1996NIST

IP in ref.
La+(H)x–H
xZ0 (1) 60G10 251G42 (1) PD (1) 1987HET/FRE
(2) 58.1G2.1 243G9 (2) GIB MS (2) 1989SUN/ARM
1 (2) 63.6G2.8 266G12
La+(C)–H 104G11 435G46 PD 1987HET/FRE

La+(CH)–H 82G7 343G29
La+–2H (1) 121.8G1.8 509G8 (1) GIB MS (1) 1989SUM/ARM

(2) 117.8G1.7 493G7 (2) Review (2) 1996ARM/KIC
La+–F 141G8.1 589G34 Derived from 1996NIST

IP in ref.
La+–Cl 120.4 503.6 Correlation 1999KAL/HEA

–Br 101.8 425.9

–I 93.8 392.4
La+(O)x–O
xZ0 (1) 203.4G3.6 851G15 (1) Review (1) 1989CHA/GIN
(2) 209G6 875G25 (2) CID (2) 2002JAC/KIN
(3) 204.8 857 (3) Review (3) 2006SCH
1 (3) 45.4 190
(4) 22.8G7.1 96G30 (4) CID (4) 1992CLE/DAL
La+2–O 82.6 346 Derived 2000SCH/SCH(b)
La+–S 150G23 629G96 Derived from 1996NIST

IP in ref.
La+–C (1) 102G8 427G33 (1) PD (1) 1987HET/JAC

–CH (1) 125G8 523G33
–CH2 (1) 106G5 444G21
(2) 98.9G1.4 414G6 (2) GIB MS (2) 1989SUN/ARM
(3) 95.8G1.7 401G7 (3) Review (3) 1996ARM/KIC
–CH3 (2) 55.1G3.5 231G15
(3) 51.9G3.5 217G15
La+–C2H2 (1) 52G3 218G13 (1) PD (1) 1992RAN/FRE

(2) 63G7 262G30 (2) Review (2) 1996ARM/KIC
FeLa+–C2H2 O24 O100 PD 1987HUA/BUC
La+–C2H4 (1) R22 R92 (1) GIB MS (1) 1989SUN/ARM

(2) 46 192.5 (2) Review (2) 1998SCH/SCH
(continued)
BDEs (boldfaceZ
recommended data;
La+–C3H4 O71 O297 FT-MS 1987HUA/WIS
La+–C3H6 O31 O130 FT-MS 1987HUA/WIS

–C4H6 O57 O238
FeLa+–cyclo-C5H6 O50 O209 PD 1987HUA/BUC
La+–C6H6 58G8 243G34 Ion reactions 1988HUA/FRE
FeLa+–C6H6 R49.3 R207 Derived 1988HUA/FRE

FeLa+–CH3C6H5 R48.9 R204
La+–Si 66.2G2.3 277.0G9.6 GIB MS 1995KIC/ARM(c)

–SiH 63.6G5.8 266G24
–SiH2 R55.1G1.6 R230.5G6.7
–SiH3 46.1G6.5 193G27
Ce–Ce (1) 57.8G5 242G21 (1) MS (1) 1989CHA/GIN

Ce–Ru 118.0G2.9 494G12 MS 1989CHA/GIN

–Os 130.3G4.8 524G20
Ce–Rh 130.3G1.7 545G7 MS 1989CHA/GIN

–Ir 137.4G2.2 575G9
Ce–Pd 76.2G5 319G21 MS 1989CHA/GIN

–Pt 131.5G1.2 550G5
Ce–Au 77.0G4.3 322G18 MS 1989CHA/GIN
Ce–F 139G10 582G42 Review 1974GUR/KAR
Ce–Cl 109.2 457.0 Correlation 1999KAL/HEA

–Br 89.2 373.2
–I 79.8 333.8
Ce–O (1) 189.8G4.1 794G17 Re-evaluated (1) 1989CHA/GIN

(2) 189.1G4.6 791.2G19.3 (2) 1991COC/NYU
(3) 188.8 790 (3) 1994HAI
Ce–S (1) 136.0 569 MS (1) 1969SMO/COP

–Se (2) 114G4.7 477G20 (2) 1970BER/COP
(3) 118.2G3.5 494.5G14.6 (3) 1974NAG/SHI
–Te (2) 92.0G4.7 385G20
(4) 45.3G3 189.4G12.6 (4) 1988KOY/YAM
Ce–N 124G5.0 519G21 MS 1971GIN(b)
Ce–C 105.9G7 443G30 Derived 1989CHA/GIN

–C2 161G6 675G25
–C3 119G8 496G35
–C4 151G10 630G40
–C5 126G11 527G45
(continued)
BDEs (boldfaceZ
recommended data;
Ce–B 72.9G5 305G21 MS 1970GIN
Ce(polycr. surf.)–H2 45.9 192 Calorimetry 1986BOE/ZHA
Ce(111, surf.)–H2 18.5G2.3 77.4G9.6 Review 1979TOY/SOM

(phys)
Ce–O2 228G11.5 955G48 Re-evaluated 1991COC/NYU
CeCl3–CeCl3 54.1G3.8 226.4G15.7 MS 2002KAP/ROS
CeO2(111, surf.)–H2CO 35–36 146–151 Re-anal. 2001MAD/IDR
Ce+–Ce 49.5G10 207G42 Derived from 1996NIST

IP in ref.
Ce+–Rh 101G23 423G96 Derived from 1996NIST

IP in ref.
–Ir 127G23 530G96
Ce+–Pd 61G12.6 255G53 Derived from 1996NIST

IP in ref.
–Pt 112G23 467G96
Ce+–Au 66.3G8.1 278G34 Derived from 1996NIST

IP in ref.
Ce+(O)2–H 89G10 372G42 Derived 1996HEI/COR
Ce+–F (1) 140G15 586G63 (1) Derived (1) 1974GUR/KAR

IP in ref.
Ce+–Cl 102.6 429.5 Correlation 1999KAL/HEA

–Br 81.5 341.0
–I 70.6 295.5
Ce+(O)x–O
(2) 197G17 824G71 (2) Derived (2) 1996HEI/COR
(3) 204G3.6 852G15 (3) Derived from (3) 1996NIST
IP in ref.
(4) 204 852 (4) Review (4) 2006SCH
1 (2) 88G15 368G63
(4) 45.7 191
Ce+–O2 131.0 548 Review 2006SCH
Ce+–S 125G14 524G59 Derived from 1996NIST

IP in ref.
Ce+–N 118G15 494G63 Derived from 1996NIST

IP in ref.
Ce+–C 60.7G23 254G96 Derived from 1996NIST

IP in ref.
Pr–Pr (1) 31G7 130G29 (1) MS (1) 1989CHA/GIN

Pr–Au 74.3G6 311G25 MS 1989CHA/GIN
(continued)
BDEs (boldfaceZ
recommended data;
Pr–F 139G11 582G46 Review 1974GUR/KAR
Pr–Cl 101.2 423.5 Correlation 1999KAL/HEA

–Br 82.3 344.5
–I 73.2 306.2
Pr–O (1) 179.0G2.3 749G9.5 Re-evaluated (1) 1989CHA/GIN

(2) 175.3G2.3 733.3G9.6 (2) 1991COC/NYU
(3) 176.9 740 (3) 1994HAI
Pr–O2 221.4G2.3 926.2G9.6 Re-evaluated 1991COC/NYU
Pr–S 117.7G1.1 492.5G4.6 MS 1973FEN/GOR
Pr–Se (1) 100G4.8 418G20 MS (1) 1970BER/COP

(2) 106.7G5.5 446.4G23.0 (2) 1974NAG/SHI
Pr–Te 78G4.8 326G20 MS 1970BER/COP
Pr–C2 161G10 674G40 Derived 1989CHA/GIN

–C4 166G14 695G60
PrCl3–PrCl3 54.5G2.9 227.9G12.1 MS 2002KAP/ROS
Pr+–Au 76G19 317G81 Derived from 1996NIST

IP in ref.
Pr+–F 133G15 557G63 Derived 1974GUR/KAR

Pr+–Cl 106.4 445.0 Correlation 1999KAL/HEA

–Br 85.5 357.7
–I 75.8 317.0
Pr+(O)x–O
xZ0 (1) O179 O749 (1) Ion beam (1) 1988HAN/BEA
(2) 190.2G3.6 796G15 (2) Review (2) 1989CHA/GIN
(3) 191.7 802 (3) Review (3) 2006SCH
1 (3) 50.7 212
Pr+–O2 124.3 520 Review 2006SCH
Nd–Nd (1) 20G7 84G29 (1) MS (1) 1989CHA/GIN

Nd–Ag !51 !213 MS 1974GUR/KAR
Nd–Au 70.3G7 294G29 MS 1989CHA/GIN
Nd(F)x–F
xZ0 130.3G3 545.2G12.6 MS 1966ZMB/MAR
1 142.5G4.2 596G18
2 165G10 690G42
Nd–Cl 100.1 418.7 Correlation 1999KAL/HEA

–Br 81.2 339.7
–I 72.1 301.5
Nd–O (1) 169.7G3.0 710G12.5 Re-evaluated (1) 1989CHA/GIN

(2) 166.0G2.3 694.7G9.6 (2) 1991COC/NYU
(3) 168 703 (3) 1994HAI
Nd–O2 200.6G20.8 839G87 Re-evaluated 1991COC/NYU
(continued)
BDEs (boldfaceZ
recommended data;
Nd–S 112.7G3.5 471.5G14.6 MS 1969SMO/COP
Nd–Se (1) 91.5G3.6 383G15 MS (1) 1970BER/COP

(2) 96.8G3.5 405.0G14.6 (2) 1974NAG/SHI
(3) 94.1 393.9 (3) 1984GOR
Nd–Te 72.9G3.6 305G15 MS 1970BER/COP
Nd–C2 155G10 648G40 Derived 1989CHA/GIN

–C4 163G14 682G60
NdCl3–NdCl3 52.8G3.7 220.8G15.3 MS 2002KAP/ROS
Nd(h5-C5Me5)2– 56.6G2.5 236.8G10.5 Review 1994NOL

CH(SiMe3)2
Nd+–Au 64G20 267G84 Derived from IP 1996NIST

in ref.
Nd+–F 142.4G7.6 596G32 Derived from IP 1996NIST

in ref.
Nd+–Cl 105.5 441.4 Correlation 1999KAL/HEA

–Br 84.3 352.9
–I 74.1 309.8
Nd+(O)x–O
xZ0 (1) 180.0G3.6 753G15 Review (1) 1989CHA/GIN
(2) 178.8 748 (2) 2006SCH
1 (2) 55.4 232
Nd+–O2 116.2 486 Review 2006SCH
Pm–F 129G10 540G42 Review 1974GUR/KAR
Pm–Cl 98.9 413.9 Correlation 1999KAL/HEA

–Br 80.0 335.0
–I 70.9 296.7
Pm–O 161G13 674G63 Review 1974GUR/KAR

–S 101G13 423G63
–Se 81G13 339G63
–Te 61G13 255G63
Pm+–F 143.5 600.5 Correlation 1999KAL/HEA

–Cl 104.0 435.3
–Br 82.9 346.9
–I 72.6 303.9
Pm+(O)x–O
xZ0 158.2 662 Review 2006SCH
1 34.9 146
Pm+–O2 75.0 314 Review 2006SCH
Sm–Sm 12.9G5 54G21 MS 1989CHA/GIN
Sm–Li 46.2G4.5 193.3G18.8 MS 1983NEU/ZMB
(h5-C5Me5)2Sm–H (1) 52.4G2.0 219.2G8.4 (1) Calorimetry (1) 1989NOL/STE

(1) 56.8G3.0 237.7G12.6
(2) 54.2G3.0 226.8G12.6 (2) Review (2) 1994NOL
Sm(F)x–F
xZ0 (1) 126.9G4.4 531G18 (1) MS (1) 1967ZMB/MAR
(continued)
BDEs (boldfaceZ
recommended data;
(2) 124.5G2.1 520.9G8.8 (2) CL (2) 1975DIC/ZAR

(3) R122.2 R511G10 (3) CL (3) 1976YOK/MEN
G2.4
(4) 135 565 (4) Derived (4) 1981KLE/LAU
1 (1) w138G10 w577G42
(4) 135 565
2 (1) w160G10 w669G42
(4) 139 582
Sm–Cl (1) R100.9G3 R422G13 (1) CL (1) 1976YOK/MEN

(2) 100.1 418.7 (2) Correlation (2) 1999KAL/HEA
Sm–Br 79.2 331.4 Correlation 1999KAL/HEA

–I 70.0 293.1
(h5-C5Me5)2Sm–Cl 97.1G3.0 406.3G12.6 Calorimetry 1989NOL/STE

–Br 83.6G1.5 349.8G6.3
–I 69.4G2.4 290.4G10.0
72.7G2.9 304.2G12.1
Sm–O (1) 136.4G0.7 570.7G2.9 (1) CL (1) 1975DIC/ZAR

(2) 137.0G2.3 573G9.6 (2) Re-evaluated (2) 1989CHA/GIN
(3) 136.1G2.3 569.2G9.6 (3) Re-anal (3) 1991COC/NYU
(4) 137 573 (4) Review (4) 1994HAI
Sm–S (1) 92.6G5 387.4G21 MS (1) 1969SMO/COP

(2) 93 389 (2) 1973FEN/GOR
Sm–Se (1) 75.0G9.6 314G40 MS (1) 1970BER/COP

(2) 79.1G3.5 331.0G14.6 (2) 1974NAG/SHI
(3) 69G10 289G42 (3) 1974GUR/KAR
–Te (1) 55.0G9.6 230G40
(2) 65.1G3.5 272.4G14.6
(3) 48G10 201G42
Sm–O2 149.9G2.3 627.1G9.6 Re-evaluated 1991COC/NYU
(h5-C5Me5)2Sm–OCH3 82.0 343.1 Review 1992DRA/WON

–SH3 73.4 307.1
(h5-C5Me5)2Sm– 45.0G1.5 188.3G6.3 Calorimetry 1989NOL/STE

(h3-C3H5)
(h5-C5Me5)2Sm–S- 70.6G2.4 295.4G10.0 Calorimetry 1989NOL/STE

nC3H7 73.2G2.4 306.3G10.0

N(CH3)2
(h5-C5Me5)2Sm–O- (1) 82.4G3.5 344.8G14.6 (1) Calorimetry (1) 1989NOL/STE

tC4H9 (2) 81G1 338.9G4 (2) Re-cal. (2) 1995KIN/MAR

OCHtC4H9
(h5-C5Me5)2Sm–CCPh 93.2 389.9 Calorimetry 1989NOL/STE
(h5-C5Me5)2Sm– 49.0 205.0 Review 1992DRA/WON

CH2Si(CH3)3
(h5-C5Me5)2Sm– (1) 46.0G1.8 192.5G7.5 (1) Calorimetry (1) 1989NOL/STE

CH(SiMe3)2 (1) 48.2G1.5 201.7G6.3
(2) 48.2G1.8 201.7G7.5 (2) Review (2) 1994NOL
(2) 47.0G1.5 196.6G6.3
(3) 47G2 196.6G8 (3) Re-cal. (3) 1995KIN/MAR
(continued)
BDEs (boldfaceZ
recommended data;
(h5-C5Me5)2Sm– 43G5 179.9G21 Calorimetry 1995KIN/MAR

SiH(SiMe3)2
(h5-C5Me5)2Sm–P(Et)2 32.6G2.0 136.4G8.4 Calorimetry 1989NOL/STE
Sm+–F (1) 133.7G6.9 560G29 (1) Derived from (1) 1996NIST

IP in ref.
Sm+–Cl 104.1 435.4 Correlation 1999KAL/HEA

–Br 82.1 343.3
–I 71.5 299.1
Sm+(O)x–O
(2) 136.5 571 (2) 2006SCH
1 (2) 18.2 76
Sm+–O2 36.8 154 Review 2006SCH
Eu–Eu (1) 7.9G4 33G17 (1) MS (1) 1989CHA/GIN

(2) 10.8 45.2 (2) Review (2) 2000FAN/CHE(c)
Eu–Li 64.1G3.0 268.1G12.6 MS 1983NEU/ZMB
Eu–Rh 56.9G8 238G34 MS 1989CHA/GIN
Eu–Ag 30.4G3.1 127G13 MS 1989CHA/GIN

–Au 58.6G2.9 245G12
Eu(F)x–F
xZ0 (1) 126.1G4.1 528G17 (1) MS (1) 1967ZMB/MAR
(2) 130.5G2.1 546.0G8.8 (2) CL (2) 1975DIC/ZAR
(3) 130 544 (3) Derived (3) 1981KLE/LAU
1 (1) w138G10 w577G42
(3) 131 548
2 (1) w160G10 669G42
(3) 119 498
Eu–Cl (1) w78 w326 (1) Est. by exp. (1) 1972FIL/MOR

–Br (2) 78.1 326.6
–I (2) 68.9 288.3
(h5-C5Me5)2Eu–I 57.1G2.0 238.9G8.4 Review 1994NOL
Eu–O (1) 132.3G0.7 553.5G2.9 (1) CL (1) 1975DIC/ZAR

(2) 112.1G3.6 469G15 (2) Re-evaluated (2) 1989CHA/GIN
(3) 113.0G2.3 472.8G9.6 (3) Re-anal (3) 1991COC/NYU
(4) 113.1 473 (4) Review (4) 1994HAI
Eu–O2 94.5G23 396G96 Re-evaluated 1991COC/NYU
Eu–S (1) 85.1G3.5 356.0G14.6 MS (1) 1974NAG/SHI

(2) 87.4G3.2 365.7G13.4 (2) 1978SMO/DRO
Eu–Se (1) 71.9G3.6 301G15 MS (1) 1970BER/COP

(2) 72.4G3.5 302.9G14.6 (2) 1974NAG/SHI
–Te (1) 57.6G3.6 241G15
(2) 60.0G3.5 251.0G14.6
Eu–C2 132G10 553G40 Re-evaluated 1989CHA/GIN
EuO–TiO2 131.7G6 551G25 MS 1985BAL/GIG
(continued)
BDEs (boldfaceZ
recommended data;
Eu+–Ag 20.4G11.9 85G50 Derived from IP 1996NIST

in ref.
–Au 60G23 252G97
Eu+–F (1) 118G15 494G63 (1) Derived (1) 1974GUR/KAR

(2) 129.7G6.9 543G29 (2) Derived from (2)1996NIST
IP in ref.
Eu+–Cl 102.9 430.7 Correlation 1999KAL/HEA

–Br 79.7 333.8
–I 69.5 290.7
Eu+(O)x–O
(2) 98.5 412 (2) 2006SCH
1 (2) 2.4 10
Eu+–O2 K17.4 K73 Review 2006SCH
Eu+–S 61.3G7.6 257G32 Derived from IP 1996NIST

in ref.
Gd–Gd (1) 42G7 176G33 (1) MS (1) 1989CHA/GIN

(2) 42.4 177.4 (2) Review (2) 2000SHE/FAN
(3) 49.3G16.1 206.3G67.5 (3) Spectroscopy (3) 2000CHE/FAN
Gd(polycs. surf.) 23.5 (phys) 98.3 FEM 1984CIS/MEL

–Gd
Gd(polycs. surf.) 82 343 Review 1995SEE/ALL

–Gd
Gd(F)x–F
xZ0 141.1G4 590G17 MS 1867ZMB/MAR
1 143G9 598G38
2 150G10 628G42
Gd–Cl 107.8 451.0 Correlation 1999KAL/HEA

–Br 88.9 372.0
–I 79.8 333.8
Gd–O (1) 170.9G3.0 715G12.5 Re-evaluated (1) 1989CHA/GIN

(2) 169.2G4.6 708G19 (2) 1991COC/NYU
(3) 170.9 715 (3) 1994HAI
Gd–S (1) 125.4G3.5 524.7G14.6 MS (1) 1969SMO/COP

(2) 125.9G2.5 526.8G10.5 (2) 1978FRI/CAT
Gd–Se 102.8G3.6 430G15 MS 1970BER/COP

–Te 81.5G3.6 341G15
Gd–C2 159G10 665G40 Re-evaluated 1989CHA/GIN
Gd(polycr. surf.)–H2 48.3 202 Calorimetry 1985SMU/CER
Gd–O2 196G16 820G68 Re-evaluated 1991COC/NYU
Gd+–F (1) 136G15 569G63 (1) Derived (1) 1974GUR/KAR

IP in ref.
Gd+–Cl 96.6 404.3 Correlation 1999KAL/HEA

–Br 75.5 315.8
–I 66.0 276.3
Gd+(O)x–O
xZ0 (1) O179 O749 (1) CID (1) 1988HAN/BEA
(continued)
BDEs (boldfaceZ
recommended data;
(2) 175.9G3.6 736G15 (2) Review (2) 1989CHA/GIN

(3) 173G6 724G25 (3) CID (3) 2002JAC/KIN
(4) 178.5 747 (4) Review (4) 2006SCH
1 (4) 60.0 251
Gd+–O2 120.2 503 Review 2006SCH
Gd+–S 109G14 456G59 Derived from IP 1996NIST

in ref.
Gd+–H2 120G5 502G21 Ion beam 1988HAN/BEA
Gd+–C6H6 O60 O251 Ion beam 1988HAN/BEA
Tb–Tb (1) 31.5G6 132G25 (1) MS (1) 1989CHA/GIN

(2) 33.2 138.8 (2) Review (2) 2000FAN/CHE(c)
Tb–Cu 45.7G4.3 191G18 MS 1989CHA/GIN

–Au 68.1G8 285G33
Tb–F 134G10 561G42 Review 1974GUR/KAR
Tb–Cl 112.4 470.1 Correlation 1999KAL/HEA

–Br 91.5 382.8
–I 80.3 336.2
Tb–O (1) 166.6G5 697G21 Re-evaluated (1) 1989CHA/GIN

(2) 168.3G4.6 704G19 (2) 1991COC/NYU
(3) 165.9 694 (3) 1994HAI
Tb–O2 205G25 859G106 Re-evaluated 1991COC/NYU
Tb–S (1) 122.4G5 512.1G21 (1) Derived (1) 1969SMO/COP

(2) 123G10 515G42 (2) Review (2) 1974GUR/KAR
Tb–Se (1) 101G10 423G42 (1) Review (1) 1974GUR/KAR

(2) 101G4.8 423G20 (2) MS (2) 1970BER/COP
–Te (1) 81G10 339G42
(2) 77.9G4.8 326G20
Tb–C2 156G11 652G45 Re-evaluated 1989CHA/GIN
Tb+–Cu 58.7G8.1 245G34 Derived from IP 1996NIST

in ref.
Tb+(O)x–O
(2) 177.8 744 (2) 2006SCH
1 (2) 47.1 197
Tb+–O2 106.8 447 Review 2006SCH
Dy–Dy (1) 17G7 71G29 (1) MS (1) 1989CHA/GIN

(2) 16.8 70.3 (2) Review (2) 2000FAN/CHE(c)
Dy(polycs. surf.) 37.8 (phys) 185.2 FEM 1984CIS/MEL

–Dy
Dy(polycs. surf.) 72 301.2 Review 1995SEE/ALL

–Dy
Dy–Cu 34.4G4.3 144G18 MS 1989CHA/GIN
Dy–Ag (1) 31.0G4.5 130G19 MS (1) 1981HIL

(2) 30.6G5.7 128G24 (2) 1989CHA/GIN
(continued)
BDEs (boldfaceZ
recommended data;
Dy–Au 61.9G5.7 259G24 MS 1989CHA/GIN
Dy–F 127 531 MS 1966ZMB/MAR(b)
Dy–Cl 93.8 392.4 Correlation 1999KAL/HEA
Dy(Br)x–Br
xZ0 81.1G2.5 339.3G10.5 MS 2004HIL/LAU
1 96.1G3.2 402.1G13.4
2 106.0G3.8 443.5G15.9
Dy(I)x–I
xZ0 64.3G2 269.0G8.4 MS 2004HIL/LAU
1 80.1G2.8 335.1G11.7
2 82.8G3.5 346.4G14.6
Dy–O (1) 146G5 611G21 Re-evaluated (1) 1989CHA/GIN

(2) 143G6.9 598G29 (2) 1991COC/NYU
(3) 147.0 615 (3) 1994HAI
Dy–S (1) 98.1G5 410.5G21 (1) Derived (1) 1969SMO/VOP

(2) 99G10 414G42 (2) Review (2) 1974GUR/KAR
Dy–Se 77.0G4.8 322G20 MS 1970BER/COP

–Te 56.0G4.8 234G20
Dy–C2 135G11 565G44 Derived 1989CHA/GIN

–C4 129G14 538G60
Dy(polycr. surf.) 48.8 204 Calorimetry 1986BOE/ZHA

–H2
DyCu(polycr. surf.) 39.9 167 Calorimetry 1993BAS/CER

–H2
DyCu6(polycr. surf.) w21.5 w90
–H2
Dy–O2 168G28 704G116 Re-evaluated 1991COC/NYU
Dy(polycr. surf.)–O2 228.5 956 Calorimetry 1988CER/KOV
Dy(polycr., surf.) 86.8 363 Calorimetry 1987CER/PIE

–CO
DyCu(polycr. 77–80 322–335 Calorimetry 1993BAS/CER

surf.)–CO
DyCu6(polycr. 74.6 312 Calorimetry 1993BAS/CER

surf.)–CO
Dy(polycr.
surf.)–CH4 O65 O272 Calorimetry 1990CER/SMU
–C2H2 100 418
–C3H6 w155 w648
DyCl3–DyCl3 61.5G4.1 257.3G17.1 MS 2002KAP/ROS
DyBr3–DyBr3 52.8G1.6 220.8G6.6 MS 1995HIP/MIL
(DyI3)x–DyI3
xZ1 46.2G1.3 193.3G5.6 MS 2004 HIL/MIL
2 47.1G3.4 197.0G14.2
(continued)
BDEs (boldfaceZ
recommended data;
DyBr3–NaBr 57.5G5 240.6G21 MS 2005HIL/LAU

DyI3–NaI 50G10 209G42
NaDyBr4–NaDyI4 4.9G5 21G21 MS 2005HIL/LAU

NaDyBr4–NaDyBr2I2 1.9G5 8G21
Dy+–Cu 46.8G10 196G42 Derived from IP 1996NIST

in ref.
Dy+–F (1) 121G15 506G50 Derived (1) 1974GUR/KAR

(2) 128G5.7 535G24 (2) 1999KAL/HEA
Dy+–Cl 97.5 407.9 Correlation 1999KAL/HEA

–Br 77.5 324.2
–I 66.9 279.9
Dy+(O)x–O
(2) 140.5 588 (2) 2006SCH
1 (2) 25.3 106
Dy+–O2 47.8 200 Review 2006SCH
Ho–Ho (1) 20.6G7.2 86G30 (1) MS (1) 1989CHA/GIN

(2) 16.8 70.3 (2) Review (2) 2000FAN/CHE(c)
Ho–Cu 34.4G4.5 144G19 MS 1989CHA/GIN

–Ag 29.6G4.5 124G19
–Au 63.8G8.4 267G35
Ho–F 129 540 MS 1966ZMB/MAR(b)
Ho–Cl 97.8 409.1 Correlation 1999KAL/HEA

–Br 76.9 321.8
–I 65.8 275.1
Ho–O (1) 147.5G2.3 617G9.6 Re-evaluated (1) 1989CHA/GIN

(2) 145.3G6.9 608G29 (2) 1991COC/NYU
(3) 144.8 606 (3) 1994HAI
Ho–O2 189G25 791G106 Re-evaluated 1991COC/NYU
Ho–S 102.4G3.5 428.4G14.6 MS 1969SMO/COP
Ho–Se 79.6G3.6 333G15 MS 1970BER/COP

–Te %61.9G3.6 %259G15
Ho–C2 135G10 565G40 Derived 1989CHA/GIN

–C4 142G14 596G60
Ho+–Ho 21G23 88G96 Derived from IP 1996NIST

in ref.
Ho+–Cu 51G8.4 214G35 Derived from IP 1996NIST

in ref.
–Ag 37G15 155G61
–Au 60G14 250G60
Ho+–F (1) 129G15 540G63 (1) Derived (1) 1974GUR/KAR

IP in ref.
Ho+–Cl 98.1 410.3 Correlation 1999KAL/HEA

–Br 76.6 320.6
–I 64.6 270.4
(continued)
BDEs (boldfaceZ
recommended data;
Ho+(O)x–O
(2) 131.7G6 551G25 (2) CID (2) 2002JAC/KIN
(3) 140.1 586 (3) Review (3) 2006SCH
1 (3) 46.1 193
Ho+–O2 68.1 285 Review 2006SCH
Er–Er 17.9G7 75G29 MS 1989CHA/GIN
Er(1000, surf.)–Er 35 (phys) 146 FEM 1986KOZ/CIS
Er(1000, surf.)–Er 76 318 Review 1995SEE/ALL
Er(0110, surf.)–Er 26 (phys) 109 FEM 1986KOZ/CIS
Er–F 135G4 565G17 MS 1966ZMB/MAR(b)
Er–Cl 107.2 448.6 Correlation 1999KAL/HEA

–Br 86.3 361.3
–I 75.5 315.8
Er–O (1) 146.0G2.3 611G10 Re-evaluated (1) 1989CHA/GIN

(2) 146.3G6.9 612G29 (2) 1991COC/NYU
(3) 144.8 606 (3) 1994HAI
Er–S 100G5 418G21 Derived 1969SMO/COP

Er–Se 78G4.8 326G20 MS 1970BER/COP

–Te 57.0G4.8 238G20
Er–C2 137G15 573G63 Derived 1989CHA/GIN
Er(polycr. surf.)–H2 48.8 204 Calorimetry 1986BOE/ZHA
Er–O2 175G27 733G116 Re-evaluated 1991COC/NYU
ErCl3–ErCl3 50.9G3.6 213G15 Derived from 2002POG/MOT

DfH0 in ref.
Er+–F (1) 128G15 536G63 (1) Derived (1) 1974GUR/KAR

IP in ref.
Er+–Cl 97.2 406.7 Correlation 1999KAL/HEA

–Br 75.5 315.8
–I 64.9 271.6
Er+(O)x–O
(2) 141.0 590 (2) 2006SCH
1 (2) 27.2 114
ErC–O2 50.2 210 Review 2006SCH
ErClK
4 –ErCl3 54G7.2 226G40 Derived from 2002POG/MOT
DfH0 in ref.
Tm–Tm 12.9G4 54G17 MS 1989CHA/GIN
(continued)
BDEs (boldfaceZ
recommended data;
Tm–Li 66.0G3.5 276.1G14.6 MS 1983NEU/ZMB
Tm(F)x–F
xZ0 122 510 MS 1981KLE/LAU
1 134 561
2 148 619
Tm–Cl 90.3 378.0 Correlation 1999KAL/HEA

–Br 71.5 299.1
–I 62.3 260.8
Tm–O (1) 122.4G2.3 512G9.6 Re-evaluated (1) 1989CHA/GIN

(2) 119.9G4.6 502G19 (2) 1991COC/NYU
(3) 122.8 514 (3) 1994HAI
Tm–S 87.9G5 368G21 Derived 1969SMO/COP
Tm–Se 65.5G9.6 274G40 MS 1970BER/COP

–Te 43.5G9.6 182G40
Tm–C2 125G11 524G44 Derived 1989CHA/GIN
Tm(polycr. surf.)–H2 46.1 193 Calorimetry 1986BOE/ZHA
Tm–O2 138G32 579G135 Re-evaluated 1991COC/NYU
Tm+–F 128.4G3.7 537G16 Correlation 1999KAL/HEA

–Cl 97.5 407.9
–Br 74.6 312.2

–I 63.8 266.8
Tm+(O)x–O
(2) 113.0 473 (2) 2006SCH
1 (2) 4.3 18
Tm+–O2 K0.5 K2 Review 2006SCH
Yb–Yb (1) 5G4 21G17 (1) MS (1) 1989CHA/GIN

(2) 3.9 16.3 (2) Review (2) 2000FAN/CHE(c)
Yb–Li 34.3G3.0 143.5G12.6 MS 1983NEU/ZMB
Yb–H (1) 38.0G9 159G38 (1) Review (1) 1990SIM/BEA

(2) 43.7G0.5 183.1G2.0 (2) MS (2) 2005BRU/TER
Yb–F (1) 113 473 (1) Spectroscopy (1) 1975BAR/CHO

(2) R123.7 R517.6G9.6 (2) CL (2) 1976YOK/MEN
G2.3
Yb–Cl (1) w77 w322 (1) Est. by exp. (1) 1972FIL/MOR

Yb–Br 70.6 295.4 Correlation 1999KAL/HEA

–I 61.5 257.3
(h5-C5Me5)2Yb–I 61.2G1.5 256.1G6.3 Review 1994NOL
Yb–O (1) 95.1G1.5 397.9G6.3 (1) CL (1) 1976YOK/MEN

(2) 96.8G5 405G21 (2) Re-evaluated (2) 1989CHA/GIN
(3) 96.9G6.9 405G29 (3) Re-ana. (3) 1991COC/NYU
(4) 95.8 401 (4) Review (4) 1994HAI
(continued)
BDEs (boldfaceZ
recommended data;
(5) 92.7G2.4 387.7G10 (5) MS (5) 2005BRU/TER
Yb–OH 77.0G2.9, 322G12 MS 2005BRU/TER

at 0 K
Yb–O2 88G32 367G135 Re-evaluated 1991COC/NYU
Yb–S (1) %38.8 %162.3 (1) Derived (1) 1969SMO/COP

(2) 40 167 (2) Review (2) 1974GUR/KAR
Yb+–Yb 57G23 238G96 Derived from IP 1996NIST

in ref.
Yb+–F 133.2G3.4 557.5G14.4 Correlation 1999KAL/HEA

–Cl 95.5 399.6
–Br 73.5 307.4
–I 62.6 262.0
Yb+(O)x–O
(2) 92.0 385 (2) 2006SCH
1 (2) K13.6 K57
Yb+–O2 K39.7 K166 Review 2006SCH
Lu–Lu (1) 33.9G8 142G33 (1) MS (1) 1989CHA/GIN

(2) 67G42 280G174 (2) Spectroscopy (2) 2000FAN/CHE(c)
Lu–Pt 96.1G8 402G34 MS 1989CHA/GIN

Lu–Au 79.3G4.5 332G19 MS 1989CHA/GIN
Lu–D 72.2 302 Spectroscopy 1994RAJ/DHU
Lu–F (1) 79.7 333.5 Spectroscopy (1) 1982ISH/VAR

(2) 96.8G4.5 404G19 (2) 2005COO/KRU
Lu–Cl (1) 90.9 380.4 (1) Correlation (1) 1999KAL/HEA

(2) 77.8G0.5 325.7G2 (2) Spectroscopy (2) 2005COO/KRU
Lu–Br 72.1 301.5 Correlation 1999KAL/HEA

–I 62.9 263.2
Lu–O (1) 159.4G2.3 667G9.6 Re-evaluated (1) 1989CHA/GIN

(2) 161G4.6 675G19 (2) 1991COC/NYU
(3) 159.9 669 (3) 1994HAI
Lu–S (1) 121.1G3.5 506.7G14.6 MS (1) 1969SMO/COP

(2) 121.5G3.2 508.4G14.4 (2) 1979FRA/HAR
Lu–Se 99.9G3.6 418G15 MS 1970BER/COP

–Te 77.7G3.6 325G15
Lu–C2 155G11 648G48 Derived 1989CHA/GIN

–C4 153G14 640G60
Lu(polycr. surf.)–H2 43.0 180 Calorimetry 1986BOE/ZHA
Lu–O2 191G25 801G106 Re-evaluated 1991COC/NYU
Lu(h5-C5Me5)2– 66.7G2.5 279.1G10.5 Review 1994NOL

CH(SiMe3)2
(continued)
BDEs (boldfaceZ
recommended data;
Lu+–F 90.1 376.8 Correlation 1999KAL/HEA

–Cl 43.2 180.6
–Br 20.6 86.1
–I 9.7 40.7
Lu+(H)x–H
xZ0 48.7G3.7 204G15 GIB MS 1989SUN/ARM
1 49.6G5.8 207G24
Lu+–2H (1) 98.2G4.4 411G18 (1) GIB MS (1) 1989SUN/ARM

(2) 94.2G4.4 394G18 (2) Review (2) 1996ARM/KIC
Lu+–CH2 (1) R57.4G1.2 R240G5 (1) GIB MS (1) 1989SUN/ARM

(2) 55.0G1.4 O230G6 (2) Review (2) 1996ARM/KIC
–CH3 (1) 45.4G4.8 190G20
(2) 42.1G4.8 176G20
Lu+(O)x–O
(2) 131.5 550 (2) 2006SCH
1 (2) 17.9 75
Lu+–O2 31.5 132 Review 2006SCH
Lu+–Si 25.6G3.2 107G13 GIB MS 1995KIC/ARM(c)

–SiH2 22.6G2.3 95G10
13.4 AcKand AcC–X bonds

Table 13.4.1 BDEs of Ac– and AcD–X Bonds
BDEs (boldfaceZ
recommended data;
Ac–O 189.8 794 Est. by exp. 2003GIB
Th–Th %69G8 %289G33 MS 1969GIN
Th–Ru 141.4G10 592G42 MS 1974GIN
Th–Rh 122.6G5 513G21 MS 1978GIN/GUP
Th–Ir 137.3G10 574G42 MS 1973GIN
Th–Pt 131.6G10 551G42 MS 1973GIN
(h5-C5Me5)2Th(R)–H, (1) 92.1G1, 385.3G4 (1) Calorimetry (1) 1986BRU/STE

RZOCH[C(CH3)3]2 in sol.
(1) 84.9G1.2, 355.2G5.0
in gas
(2) 93.0G1.4 389G6 (2) Review (2) 1990SIM/BEA
(h5-C5Me5)2Th(R)–H, (1) 92.1G1, 385.3G4 (1) Calorimetry (1) 1986BRU/STE

RZO-2,6[C(CH3)3] – in sol.
C6H3 (1) 84.9G1.2, 355.2G5.0
in gas
(2) 91.8G1.4 384G6 (2) Review (2) 1990SIM/BEA
(h5-C5H4SiMe3)3 (1) 65.5G1.4 274G6 Calorimetry (1) 1993JEM/GOF

Th–H (2) 66.2G1.4 277G6 (2) 1994GOF/JEM
(continued)
Table 13.4.1 (continued) BDEs of Ac– and AcC–X Bonds
BDEs (boldfaceZ
recommended data;
(C9H6SiMe3)3Th–H 63.1G2 264G8 Calorimetry 1993JEM/GOF

–D 66.0G1.2 276G5
Th(F)x–F
xZ0 (1) 158.4G4 663G16.7 (1) Der. from (1) 1985HIL/GUV
DfH0 in ref.
(2) 155.8 652 (2) MS (2) 1989LAU/BRI
1 (1) 168.1G4 703G16.7
(2) 167.8 702
2 (1) 156.2G4 654G16.7
(2) 156.1 653
3 (1) 157.7G4 660G16.7
(2) 159.2 666
(3) 154 644 (3) Derived (3) 1986BRU/STE
OTh–F 142.0 594 Derived 1989LAU/BRI
Th(Cl)x–Cl
xZ0 (1) 111.3G4 466G16.7 (1) Der. from (1) 1985HIL/GUV
DfH0 in ref.
(2) 116.9 489 (2) Derived (2) 1990LAU/HIL
1 (1) 126.0G4 527G16.7
(2) 130.3 545
2 (1) 120.2G4 503G16.7
(2) 121.2 507
3 (1) 133.0G4 557G16.7
(2) 120.5 504
Th(Br)x–Br
xZ0 (1) 105.3G6 441G25 (1) Der. from (1) 1985HIL/GUV
DfH0 in ref.
(2) 87.0 364 (2) MS (2) 1990HIL/LAU
1 (1) 115G8 481G34

(2) 104.9 439
2 (1) 103G8 431G34
(2) 114.0 477
3 (1) 109.6G7 459G29
(2) 121.9 510
Th(I)x–I
xZ0 86.3G6 361G25 Derived from 1985HIL/GUV
DfH0 in ref.
1 94G8 393G24
2 85G8 356G34
3 92.1G7 385G29
Th(O)x–O
xZ0 (1) 205.2G3.9 858.6G16.3 (1) MS (1) 1974NEU/ZMB
(2) 213 891 (2) Derived (2) 1994HAI
(3) 209.6 877 (3) Derived (3) 2003GIB/HAI
1 (4) 163.5G8.8 684G37 (4) Derived (4) 2002SAN/MAR
(F)Th–O 194.3 813 Derived 1989LAU/BRI
(h5-C5H4SiMe3)3 93.7G2.6 392G11 Calorimetry 1994GOF/JEM

Th–O 88.7G5.7 371G24
Th–N (1) 138G8 577G33 MS (1) 1968GIN

–P (2) 89G7 372G29 (2) 1969GIN
Th–B 71G8 297G33 MS 1969GIN
Th–C 108.3G4.1 453G17 MS 1980GUP/GIN

–C2 148.4G4.3 621G18
–C3 130.7G4.5 547G19
ThC2–C2 167.8G6.9 702G29 MS 1980GUP/GIN

ThC3–C2 150.1G6.9 628G29
(continued)
BDEs (boldfaceZ
recommended data;
(h5-C5Me5)2 82.5G2 345G8 Review 1990SIM/BEA

Th(OR)H–CO
RZCH(t-Bu)2
(h5-C5Me5)2 83.9G2.4 351G10 Review 1990SIM/BEA

Th(OR)H–CO
RZ2,6-(t-Bu)2C6H3
(h5-C5H5)3Th–CH3 (1) 89.6G1.1, 374.9G4.6 (1) Calorimetry (1) 1985SON/MOR

in sol.
(1) 82.7G1.1, 346.0G4.6
in gas
(2) 89.6G2.2 375G9 (2) Review (2) 1990SIM/BEA
(h5-C5H4SiMe3)3 46.8G1.7 196G7 Calorimetry 1994GOF/JEN

Th–CH3
(h5-C5Me5)2Th(CH3)– (1) 81.2G0.8, 339.7G3.3 (1) Calorimetry (1) 1983BRU/MAR

CH3 in sol.
(1) 77.2G1.1, 323.0G4.6
in gas
(2) 81.0G1.2 339G5 (2) Review (2) 1990SIM/BEA
(h5-C5Me5)2Th (1) 83.6G0.9, 349.8G3.8 (1) Calorimetry (1) 1983BRU/MAR

(O-tC4H9)–CH3 in sol.
(1) 79.3G1.2, 331.8G5.0
in gas
(2) 83.4G1.4 349G6 (2) Review (2) 1990SIM/BEA
(C9H7)3Th–CH3 88.7G1.4 371G6 Calorimetry 1989BET/GOF

(1-C2H5-C9H6)3 87.2G1.2 365G5 Calorimetry 1989BET/GOF

Th–CH3
(h5-C5Me5)2 (1) 72.2G1.8, 302.1G7.5 (1) Calorimetry (1) 1983BRU/MAR

Th(Cl)–C2H5 in sol.
(1) 68.3G2.0, 285.8G8.4
in gas
(2) 74.8G1.9 313G8 (2) Review (2)1990SIM/BEA
(h5-C5Me5)2 Th(C2H5)– (1) 73.5G1.6, 307.5G6.7 (1) Calorimetry (1) 1983BRU/MAR

C2H5 in sol.
(1) 70.4G2.0, 294.6G8.4
in gas
(2) 76.0G1.9 318G8 (2) Review (2) 1990SIM/BEA

Th(O-tC4H9)–C2H5 in sol.
(1) 72.9G2.0, 305.0G8.4
in gas
(2) 78.9G1.9 330G8 (2) Review (2) 1990SIM/BEA
(h5-C5H5)3Th–i-C3H7 (1) 81.8G2.6, 342.3G10.9 (1) Calorimetry (1) 1985SON/MOR

in sol.
(1) 77.3G2.7, 323.4G11.3
in gas
(2) 83.7G3.6 350G15 (2) Review (2) 1990SIM/BEA
(C9H7)3Th–i-C3H7 85.3G1.9 357G8 Calorimetry 1989BET/GOF
(h5-C5Me5)2Th(Cl)– 89.2G2.0, 373.2G8.4 Calorimetry 1983BRU/MAR

N(CH3)2 in sol.
90.8G2.4, 379.9G10.0
in gas

(n-C4H4)–nC4H9 in sol.
(1) 71.6G1.7, 299.6G7.1
in gas
(2) 73.4G2.2 307G9 (2) Review (2) 1990SIM/BEA
(continued)
BDEs (boldfaceZ
recommended data;

(O-tC4H9)–nC4H9 in sol.
(1) 73.9G3.7, 309.2G15.5
in gas
(2) 75.5G3.6 316G15 (2) Review (2) 1990SIM/BEA
(h5-C5Me5)2Th(R)– (1) 81.3G3.1, 340.2G13 (1) Calorimetry (1) 1986BRU/STE

n-C4H9, in sol.
RZOCH[C(CH3)3]2 (1) 81.5G3.1, 341.0G13
in gas
(2) 82.9G3.6 347G15 (2) Review (2) 1990SIM/BEA
(h5-C5H5)3Th– (1) 79.6G2.8, 333.0G11.7 (1) Calorimetry (1) 1985SON/MOR

CH2C(CH3)3 in sol.
(1) 77.9G3.0, 325.9G12.6
in gas
(2) 79.6G3.6 333G15 (2) Review (2) 1990SIM/BEA

Th(CH2C(CH3)3)– in sol.
CH2C(CH3)3 (1) 72.2G3.9, 302.1G16.3
in gas
(2) 72.2G4.1 302G17 (2) Review (2) 1990SIM/BEA

(O-tC4H9)– in sol.
CH2C(CH3)3 (1) 77.0G3.9, 322.2G16.3
in gas
(2) 76.7G4.1 321G17 (2) Review (2) 1990SIM/BEA

CH2Si(CH3)3 in sol.
(1) 86.1G3.6, 360.2G15.1

in gas
(2) 88.2G2.9 369G12 (2) Review (2) 1990SIM/BEA

Th(CH2SiMe3)– in sol.
CH2Si(CH3)3 (1) 80.3G3.4, 336.0G14.2
in gas
(2) 80.1G1.7 335G7 (2) Review (2) 1990SIM/BEA

Th(O-tC4H9)– in sol.
CH2Si(CH3)3 (1) 82.7G3.3, 346.0G13.8
in gas
(2) 82.5G1.7 345G7 (2) Review (2) 1990SIM/BEA
(C9H7)3Th– 94.9G1.7 397G7 Calorimetry 1989BET/GOF

CH2Si(CH3)3
(h5-C5Me5)2Th(Cl)– 95.5G2.1, 399.6G8.8 Calorimetry 1983BRU/MAR

NMeSiMe3 in sol.
100.2G2.5, 419.2G10.5
in gas
(h5-C5Me5)2Th(Cl)– (1) 89.2G2.2, 373.2G9.2 (1) Calorimetry (1) 1986BRU/STE

C6H5 in sol.
(1) 90.5G2.3, 378.7G9.6
in gas
(2) 89.4G2.4 374G10 (2) Review (2) 1990SIM/BEA

Th(C6H5)–C6H5 in sol.
(1) 90.3G2.5, 377.8G10.5
in gas
(2) 88.9G2.4 372G10 (2) Review (2) 1990SIM/BEW
(continued)
BDEs (boldfaceZ
recommended data;

Th(O-tC4H9)–C6H5 in sol.
(1) 95.1G2.3, 397.9G9.6
in gas
(2) 92.4G2.2 387G9 (2) Review (2) 1990SIM/BEW

CH2C6H5 in sol.
(1) 77.9G2.2, 325.9G9.2
in gas
(2) 75.3G2.9 315G12 (2) Review (2) 1990SIM/BEA
(h5-C5Me5)2Th(Cl)– (1) 68.2G1.4, 285.3G5.9 (1) Calorimetry (1) 1983BRU/MAR

CH2C6H5 in sol.
(1) 71.5G1.9, 299.2G7.9
in gas
(2) 68.1G1.7 285G7 (2) Review (2) 1990SIM/BEW
(C9H7)3Th–CH2C6H5 81.7G2.2 342G9 Calorimetry 1989BET/GOF
Th+–Ru 120G16 504G67 Derived from 1996NIST

IP in ref.
–Pt 93G46 388G193
Th+(F)x–F
xZ0 (1) 159G9 664G36 (1) Der from (1) 1985HIL/GUR
DfH0 in ref.
(2) 163G7 682G29 (2) Der. from (2) 1996NIST
IP in ref.
1 (1) 168G11 701G47
2 (1) 151G11 630G47
3 (1) 6.6G8.4 28G35
Th+(Cl)x–Cl
xZ0 (1) 159G8 664G34 (1) Der. from (1) 1985HIL/GUR
DfH0 in ref.
(2) 119G7 499G29 (2) Der. from (2) 1996NIST
IP in ref.
1 (1) 121G11 506G47
2 (1) 102G11 427G47
3 (1) 37G8 155G34
Th+(O)x–O
xZ0 (1) 207G5 866G21 (1) Der. from (1) 1985HIL/GUR
DfH0 in ref.
(2) R179.6 R751 (2)Derived (2) 2002SAN/MAR
(3) 202.0 845 (3) Review (3) 2006SCH
1 (1) 103.5G5 433G21
(2) R84.7 R354
(3) 114.5 479
ThC
2 –O R179.5 R751 Derived 2005GIB/HAI
Th+–O2 198.6 831 Review 2006SCH
Pa(O)x–O
xZ0 (1) 188.4G4.1 788G17 (1) AP (1) 1986KLI/WAR
(2) 189.3 792 (2) Review (2) 1994HAI
1 (1) 184.6G4.1 772G17
Pa+(F)3–F O95.6 O400 Derived 2002GIB/HAI
Pa+(O)x–O
xZ0 w191 w800 Derived 2002GIB/HAI
1 R184 R770
U–U 53G5 222G21 Review 1974GUR/KAR
(continued)
BDEs (boldfaceZ
recommended data;
U–Rh 124.0G4 519G17 MS 1978GIN/GUP
U–Au (1) 73.8G7 309G29 (1) MS (1) 1967GIN/BLU

(2) 76G7 318G29 (2) Review (2) 1974GUR/KAR
U–Al 78G7 326G29 MS 1967GIN/BLU
U–B 77G8 322G33 MS 1970GIN

U–B2 227G10 950G42
(h5-C5H4tBu)3U–H 59.7G1.4 249.7G5.7 Calorimetry 1992JEM/GOF
(h5-C5H4SiMe3)3U–H (1) 60.2G1.2 251.7G5.1 Calorimetry (1) 1992JEM/GOF

(2) 60.6G1.2 253.7G5.1 (2) 1944GOF/JEM
(h5-C5Me5)2 (1) 82.4G0.7, 344.8G2.9 (1) Calorimetry (1) 1986BRU/STE

U(OSi(tBu) in sol.
(Me)2)–H (1) 76.4G1.1, 319.7G4.6
in gas
(2) 81.7G1.2 342G5 (2) Review (2) 1990SIM/BEA
U(F)x–F
xZ0 (1) 157G6 657G25 (1) Derived (1) 1979WAR/KLE
(2) 157G6 657G25 (2) Derived (2) 1984GOR/SMI
(3) 156.4G4 654G16.7 (2) Der. from (3) 1985HIL/GUV
DfH0 in ref.
(4) 154.9 648 (4) Derived (4) 1992HIL/LAU(c)
1 (1) 136 569
(2) 136.5G8.1 571G34
(3) 136G5.5 569G23
(4) 135.0 565

2 (1) 149 623
(2) 143.4G6 600G25
(3) 145G5 607G21
(4) 147.9 619
3 (1) 148 619
(2) 148.4G4.3 621G18
(3) 148.1G3 620G12.6
(4) 147.0 615
4 (1) 102 426
(2) 90.6G4.5 379G19
(3) 99.9G3.5 418G14.6
(4) 98.0 410
5 (1) 65 272
(2) 75.0G2.9 314G12
(3) 69.2G3.5 290G14.6
U(O)Fx–F
xZ0 159G24 665G100 Derived from 1985HIL/GUV
DfH0 in ref.
1 156G34 653G142
2 113G34 473G142
3 84.8G25 355G105
U(Cl)x–Cl
xZ0 (1) 108G2 452G8 (1) MS (1) 1984LAU/HIL
(2) 105.4G3.6 441G15 (2) Der. from (2) 1985HIL/GUV
DfH0 in ref.
(3) 104.9 439 (3) Derived (3) 1992HIL/LAU(c)
1 (1) 117G2 490G8
(2) 115G4.5 481G19
(3) 115.0 481
2 (1) 117G2 490G8
(2) 116G4.5 485G19
(3) 115.9 485
3 (1) 101G2 423G8
(2) 100.4G4.5 420G19
(3) 100.4 420
(4) 86 360 (4) Derived (4) 1986BRU/STE
4 (1) 50G2 209G8
(2) 50G4.5 209G19
(3) 50.0 209
(continued)
BDEs (boldfaceZ
recommended data;
[HB(3,5-Me2Pz)3] 101 422.6 Review 1992LEA/MAR

U(Cl)2–Cl
PzZpyrazolyl
U(Br)x–Br
xZ0 (1) 90.1G3.6 377G15 (1) Der. from (1) 1985HIL/GUV
DfH0 in ref.
(2) 90.1 377 (2) Derived (2) 1992HIL/LAU(c)
1 (1) 103.5G4.5 433G19
(2) 104.0 435
2 (1) 102.1G4.5 427G19
(2) 102.8 430
3 (1) 82.6G3.5 346G15
(2) 83.2 348
(3) 77 322 (3) Derived (3) 1986BRU/STE
4 (2) 39.7 166
U(I)x–I
xZ0 71.4G6.5 299G27 Derived from 1985HIL/GUV
DfH0 in ref.
1 83G8.5 347G36
2 83G8.5 347G36
3 65.7G6 275G25
(h5-C5Me5)3U–I 62.6G0.2 262G1 Calorimetry 1990BET/GOF
(h5-C5H4tBu)3U–I 58.9G1.3 246.3G5.3 Calorimetry 1992JEM/GOF
(h5-C5H4SiMe3)3U–I (1) 62.4G1.4 261.1G5.9 Calorimetry (1) 1988SCH/SEY

(2) 63.5G1.0 265.6G4.3 (2) 1992JEM/GOF
(C9H7)3U–I 63.8G0.8 266.8G3.2 Calorimetry 1990BET/GOF

U(O)x–O
xZ0 (1) 180.5G3 755G13 (1) Derived (1) 1983PED/MAR
(2) 185.0 774 (2) Derived (2) 1994HAI
(3) 188.4 788 (3) Der. from (3) 1994KAL/MCC
data in ref.
(4) 180.4 755 (4) Derived (4) 2003GIB
1 (5) 180G18.2 753G76 (5) Derived (5) 2002SAN/MAR
(6) 181.5 759.3 (6) Derived (6) 2005CAP/COL
2 (6) 136.7 572.1
(h5-C5H4SiMe3)3U–O 75.8G3.6 317G15 Calorimetry 1994GOF/JEM

76.2G2.4 319G10
(h5-C5H4tBu)3U–O 73.4G2.2 307G9 Calorimetry 1994GOF/JEM
U(O)x–O2
xZ0 242.6 1015.0 Derived 2005CAP/COL
1 198.8 831.7
U–S (1) 134G2.3 561G9.6 MS (1) 1966CAT/RAU

(2) 126.3G2.5 528.4G10.5 (2) 1975STE/CAT
U–N 127G5 531G21 MS 1967GIN
U–P 70G5 293G21 Review 1974GUR/KAR
U–C 108.7G3.6 455G15 MS 1979GUP/GIN

–C2 158.9G3.8 665G16
–C3 134.0G5.0 561G21
UC3–C2 156.3G9.3 654G39 MS 1979GUP/GIN

UC2–C3 131.0G8.1 548G34
(continued)
BDEs (boldfaceZ
recommended data;
(h5-C5H4SiMe3)3
U–CO (1) 10.3G0.2 43.1G0.8 (1) Calorimetry (1) 1988SCH/SEY
–CH3 (1) 44.8G1.1 187.4G4.6
(2) 44.2G0.5 185G2 (2) Review (2) 1994LEA/SIM
(h5-C5Me5)2U(CH3)– (1) 71.8G3.3, 300.4G13.8 (1) Calorimetry (1) 1986BRU/STE

CH3 in sol.
(1) 67.8G3.5, 283.7G14.6
in gas
(2) 71.7G2.6 300G11 (2) Review (2) 1990SIM/BEA
(h5-C5Me5)2U(Cl)–CH3 (1) 74.6G1.6, 312.1G6.7 (1) Calorimetry (1) 1986BRU/STE

in sol.
(1) 70.1G1.7, 293.3G7.1
in gas
(2) 74.6G1.9 312G8 (2) Review (2) 1990SIM/BEA
(h5-C5Me5)2U(R)–CH3 (1) 76.0G1.2, 318.0G5.0 (1) Calorimetry (1) 1986BRU/STE

RZOSi(tBu)Me2 (1) 72.4G1.4,
in sol. 302.9G5.4
in gas
(2) 75.8G1.4 317G6 (2) Review (2) 1990SIM/BEA
(C9H7)3U–CH3 46.9G1.6 196.3G6.6 Calorimetry 1990BET/GOF
(1-C2H5-C9H6)3 44.7G1.4 187G6 Calorimetry 2001LEA/MAR

U–CH3
(h5-Me3SiC5H4)3 (1) 48.5G2.2 202.9 (1) Calorimetry (1) 1988SCH/SEY

U–C2H3 (2) 53.3G2.4 223G10 (2) Review (2) 1990SIM/BEA
(C9H7)3U–OCH2CF3 71.9G2.2 301G9 Calorimetry 1990BET/GOF
(L)3U–SC2H5
LZ(h5-C5H4tBu) 60.2G2 252G8 Calorimetry 1994JEM/GOF
(h5-C5H4SiMe3) 63.6G2.2 266G9
(C9H6SiMe3) 37.8G2 158G8
(h5-C5Me5)2U 88.0G5 368G21 Calorimetry 1986BRU/STE

(c-C3H5)–c-C3H5
(h5-C5H4Me3Si)3 (1) 28.9G1.7 120.9G7.1 (1) Calorimetry (1) 1988SCH/SEY

U–nC4H9 (2) 36.3G1.9 152G8 (2) Review (2) 1990SIM/BEA
[HB(3,5-Me2Pz)3] 110.1G1.2 460.5G5.0 Calorimetry 1992LEA/MAR

U(Cl)2–O-tC4H9,
PzZpyrazolyl
(h5-C5H4Me3Si)3 37.8G2 158G8 Calorimetry 1994JEM/GOF

U–S-tC4H9
(h5-C5Me5) (1) 73.3G3.1, 306.7G13.0 (1) Calorimetry (1) 1986BRU/STE

2U(CH2SiMe3)– in sol.
CH2Si(CH3)3 (1) 73.3G3.3, 306.7G13.8
in gas
(2) 73.4G1.9 307G8 (2) Review (2) 1990SIM/BEA
(h5-C5H4SiMe3)3 (1) 39.3G2.3 164.4G9.2 (1) Calorimetry (1) 1988SCH/SEY

U–CH2Si(CH3)3 (2) 40.2G1.9 168G8 (2) Review (2) 1990SIM/BEA
[HB(3,5-Me2Pz)3]
U(Cl)2–
–N(SiMe3)2 79.8G2.4 334G10 Calorimetry 1992LEA/MAR
(continued)
BDEs (boldfaceZ
recommended data;
–CH(SiMe3)2, 70.5G2.6 295G11

PzZpyrazolyl
(h5-C5H5)3U– 37G3 154.8G12.6 Calorimetry 1995KIN/MAR

Si(Si(CH3)3)3
(Cl)2U(dmpz)– 115.7G2.1 484.2G8.6 Calorimetry 1994LEA/SIM

–OCMe2CH2COMe,
dmpz Z3,
5-dimethyl
pyrazol-1-yl
(Cl)2U(dmpz)–dmpz, 93.9G3.8 393G16 Calorimetry 1994LEA/SIM

dmpzZ3,
5-dimethyl
pyrazol-1-yl
(Cl)2U(dmpz)–THF, 5.1G0.7 21.5G2.9 Calorimetry 1994LEA/SIM

dmpzZ3,
5-dimethyl
pyrazol-1-yl
THFZ
tetrahydrofuran
[HB(3,5-Me2Pz)3] 86.5G2.9 362G12 Calorimetry 1992LEA/MAR

U(Cl)2–c-C5H5,
PzZpyrazolyl
(h5-C5Me5)2U(Cl)– (1) 85.5G2.6, 357.7G10.9 (1) Calorimetry (1) 1986BRU/STE

C6H5 in sol.
(1) 86.7G2.6, 362.8G10.9
in gas
(2) 85.6G2.6 358G11 (2) Review (2) 1990SIM/BEA
(h5-C5H4SiMe3)3 86.7 362.8 Calorimetry 1988SCH/SEY

U–CCC6H5
(h5-C5Me5)2 (1) 58.3G2.1, 243.9G8.8 (1) Calorimetry (1) 1986BRU/STE

U(CH2C6H5)– in sol.
CH2C6H5 (1) 61.8G2.7, 258.6G11.3
in gas
(2) 58.3G1.9 244G8 (2) Review (2) 1990SIM/BEA
(h5-C5Me5)2U(Cl)– (1) 63.0G2.7, 263.6G11.3 (1) Calorimetry (1) 1986BRU/STE

CH2C6H5 in sol.
(1) 66.1G2.8, 276.6G11.7
in gas
(2) 62.9G2.9 263G12 (2) Review (2) 1990SIM/BEA
(h5-C5H4SiMe3)3 (1) 25.6G3.1 107.1G13.0 (1) Calorimetry (1) 1988SCH/SEY

U–CH2C6H5 (2) 35.6G1.9 149G8 (2) Review (2) 1990SIM/BEA
(L)U–L, LZh8-1,3,5,7- 45.4G6.5 190G27 MS 1977BED

cyclooctatetraene
(h5-C5H5)3U–SiPh3 (1) 37.3G4.2 156.1G17.6 (1) Calorimetry (1) 1991NOL/POR

(2) 35G4 146.4G16.7 (2) Re-cal. (2) 1995KIN/MAR
(h5-C5H5)3U–GePh3 38.9G4.5 162.8G18.8 Calorimetry 1991NOL/POR

–SnPh3 37.2G4.0 155.6G16.7
(h5-C5H5)3U
–Fe(CO)2(h5-C5H5) 30.9G3.0 129.3G12.6 Calorimetry 1991NOL/POR
–Ru(CO)2(h5-C5H5) 40.4G4.0 169.0G16.7
(h5-C5H4SiMe3)3 9.8G0.2 41.0G0.8 Calorimetry 1988SCH/SEY

U–THF
THFZtetrahy-
drofuran
(continued)
BDEs (boldfaceZ
recommended data;
(C9H7)3U–THF, 17.0G1.2 71.3G5.2 Calorimetry 1991JEM/GOF

THFZtetrahy-
drofuran
U+–H 67.9G2 284G8 Ion beam 1977ARM/HOD
U+–D 67.7G2.3 283.4G9.6 CID 1977ARM/HOD
U+(F)x–F
xZ0 (1) 125G27 523G113 (1) CID (1) 1981ARM/BEA
(2) 160.4G7.1 671G30 (2) Der. from (2) 1985HIL/GUR
DfH0 in ref.
(3) 159.7G6.9 668G29 (3) Review (3) 2004JAC/GIB
1 (2) 132G10.6 552G44
(3) 131.9G10.5 552G44
2 (2) 125G9 522G38
(3) 125G9 523G38
3 (2) 92G4.5 385G19
(3) 91.1G4.5 381G19
4 (2) 85.3G4.5 357G19
(3) 58.1G4.1 243G17
5 (2) 60G4 251G17
(3) 6.2G2.6 26G11
U+(OH)–F w24 w100 Derived 2004JAC/GIB
U+(Cl)x–Cl
xZ0 (1) O84G1 O352G4 (1) CID (1) 1981ARM/BEA
(2) 103G8 431G34 (2) Der. from (2) 1985HIL/GUR
DfH0 in ref.
1 (2) 103G11 431G46
2 (2) 77G11 322G46
3 (2) 85G8.5 356G36
4 (2) 26G8.5 109G36
U+(Br)x–Br
xZ0 82.5G7 345G29 Derived from 1985HIL/GUR
DfH0 in ref.
1 96.7G10 405G42
2 69.7G11 292G46
3 50.7G11 212G46
U+(I)3–I 47.5G18 199G75 Derived from 1985HIL/GUR

DfH0 in ref.
U+(O)x–O
xZ0 (1) 184G7 770G29 (1) CID (1) 1980ARM/BEA
(2) R179.6 R752 (2) Derived (2) 2002SAN/MAR
(3) 181 757 (3) Der. from (3) 2003HAN/KAL
IP in ref.
(4) 190.2 796 (4) Derived (4) 2004JAC/GIB
(5) 182.4 763 (5) Review (5) 2006SCH
1 (1) 178G9 745G38
(2) 184.5G13 772G56
(3) R151 R632
(5) 138.9 581
DfH0 in ref.
2 (7) 31 130 (7) Derived (7) 2001GIB
UC
165G14 690G60
U+–O2 240.9 1008 Review 2006SCH
U+(F)x–OH
xZ1 O115.2G6.9 O482G29 Derived 2004JAC/GIB
2 O108.3G9.1 O453G38
U+–S 124G5 518G29 Derived from 1996NIST

IP in ref.
(continued)
BDEs (boldfaceZ
recommended data;
U+–N (1) 109.2G4.6 457G19 CID (1) 1981ARM/BEA

(2) w116 w485 (2) 1995HEI/SCH
U+(O)–N w120 w502 CID 1995HEI/SCH
U+–P 45G10 186G42 Derived from 1996NIST

IP in ref.
–C 72G23 300G96
Np(F)x–F
xZ0 102.8G12 430G50 Derived from 1985HIL/GUR
DfH0 in ref.
1 145G18.5 607G77
2 140G18.5 586G77
3 148G17 619G71
4 153G14.5 640G61
Np(O)x–O
xZ0 (1) 175.9 736 Derived (1) 1994HAI
(2) 176.9 740 (2) 2001GIB
(3) 174.7 731 (3) 2003GIB
1 (4) 122.4G20.6 512G86 (4) 2002SAN/MAR
Np+(F)x–F
xZ0 174G24 730G100 Derived 2002GIB/HAI
1 105G22 440G90
2 131G14 550G60
3 57G10 240G40
Np+(O)x–O
xZ0 (1) 184.8G10 773G42 (1) Der. from (1) 1988LIA/BAR
DfH0 in ref.
(2) w189 w790 (2) Ion (2) 2001GIB

reactions
(3) R179.6 R752 (3) Derived (3) 2002SAN/MAR
(4) 179.6 752 (4) Review (4) 2006SCH
1 (3) R119.1 R498
(3) 138.6G16.7 580G70
(4) 138.9 581
NpC
127G7 530G30
Np+–O2 200.5 839 Review 2006SCH
Pu(F)x–F
xZ0 (1) 143.9 602 (1) Derived (1) 1986KLE/WAR
DfH0 in ref.
(3) 128.7G7 538G29 (3) MS (3) 1988KLE
1 (1) 128.7 538
(2) 137.2G7 574G29
(3) 135G8 565G33
2 (1) 141.1 590
(2) 149.8G6 627G25
(3) 147G10 615G42
3 (1) 156.1 653
(3) 113G5 473G21
4 (1) 136.1 569
(3) 108G12 452G50
5 (1) 58.8 246
(3) 53G2 222G8
Pu(O)x–O
xZ0 (1) 168.0 703 Derived (1) 1994HAI
(2) 159 666 (2) 1999CAP/COL
(3) 167.3 700 (3) 2001GIB
(4) 158.0 661 (4) 2003GIB
(5) 156.8 656.1 (5) 2005CAP/COL
1 (2) 143 598
(5) 143.7 601.1
Pu–O2 182.2 762.2 Derived 2005CAP/COL
(continued)
BDEs (boldfaceZ
recommended data;
Pu–N 112G15 469G63 Review 1974GUR/KAR
Pu+(O)x–O
xZ0 (2) 163.2G13 683G55 (1) Der. from (1) 1985HIL/GUV
DfH0 in ref.
(2) 156.5 655 (2) Ion (2) 2001GIB/HAI
reactions
(3) 147.7 618G22 (3) Derived (3) 2002SAN/MAR
(3) R151 R632
1 (1) 60.6G18 254G75
(3) 124.3G5 520G20
(3) R119.1 R498
PuC
110G12 460G50
Pu+(F)x–F
DfH0 in ref.
1 126G17 527G71
2 124G26 519G96
Am(O)x–O
xZ0 (1) 131.5 550 (1) Review (1) 1985HIL/GUR
(2) 132.2G8.6 553G36 (2) Derived (2) 2002SAN/MAR
1 (2) 123.8G11.2 518G47
Am+(O)x–O
xZ0 133.8G7.2 560G30 Derived 2002SAN/MAR
1 93.2G9.6 390G40
AmC
96G12 400G50
Am+–Cl w78 w327 Est. 2004TIL/NAL
Cm–O 175 732 Equilibrium 1970SMI/PET
Bk–O 143 598 Est. by exp. 2003GIB
Bk+–O 145.8 610 Ion reactions 2001GIB/HAI
Cf–O 119 498 Est by exp. 2003GIB
Es–O (1) 143 598 Est. by exp. (1) 1994HAI

(2) 110 460 (2) 2003GIB
Es+–O 112G14.3 470G60 Est. by exp. 2003GIB/HAI
Fm–O 106 443 Est. by exp. 2003GIB

Md–O 100 418
No–O 64 268
Lr–O 159 665
chapter fourteen
BDEs of Ti(Ti G )–, Zr(ZrC )–, and

Hf(HfC)–X bonds
14.1 Ti–, TiC–, and TiK–X bonds

14.1.1 Ti–X bonds
Table 14.1.1 BDEs of Ti–X Bonds
BDEs (boldfaceZ
recommended data;
Ti–Ti (1) 32.8G5 137.2G21 (1) MS (1) 1969KAN/LIN

(2) 30.8 129 (2) Review (2) 1979MIE/GIN
(3) 29.3G3.9 122.6G16.4 (3) Review (3) 1986MOR
(4) 33.2 138.8 (4) Review (4) 1996SMI/YAT
(5) 28.1 117.6 (5) Spectrometry (5) 2004HIM/BIH
Ti–Zr 51.2G0.1 214.3G0.1 Spectrometry 1995LAN/MOR
Ti–V 48.58G0.02 203.24G0.10 Spectrometry 1992SPA/MOR(b)
Ti–Nb 72.2G0.1 302.0G0.1 Spectrometry 1995LAN/MOR
Ti–Co 56.26G0.02 235.37G0.10 Spectrometry 1992SPA/MOR(b)
(continued)
667
Table 14.1.1 (continued) BDEs of Ti–X Bonds
BDEs (boldfaceZ
recommended data;
Ti–Rh 93.4G3.5 390.8G14.6 Review 1986MOR
Ti–Ir 100.9G3.1 422G13 MS 1989PEL/GIN
Ti–Pt 95.0G2.5 397.5G10.6 Review 1986MOR
Ti–Al 63.0 263.4 MS 1979HUB/HER
Ti–H (1) 47.1 197 (1) Review (1) 1990SIM/BEA

(2) 48.9G2.1 204.6G8.8 (2) GIB MS (2) 1991CHE/CLE
Ti(F)x–F
xZ0 136G8 569G33 MS 1967ZMB/MAR(c)
1 160G8 669G33
2 155G5 649G21
3 109G5 456G21
Ti(Cl)x–Cl
xZ0 (1) 96.9G2.5 405.4G10.5 (1) MS (1) 1996HIL(b)
DfH0 in ref.
1 (1) 121.3G2.5 507.5G10.5
(2) 122.6 513
2 (1) 100.9G2.5 422.2G10.5
(2) 101.2 423
3 (1) 92.8G2.5 388.3G10.5
(2) 82.5 345
Ti(Cl)x(h5-C5H5)2–Cl
xZ0 112.6 471 Derived 1988DIA/SIM
1 93.2 390
BDEs of Ti(TiG)–, Zr(ZrC)–, and Hf(HfC)–X Bonds 669
Ti(Cl)x(h5-C5Me5)2–Cl
xZ0 115G5 481G21 Calorimetry 1988DIA/SAL
1 90.8G4.8 380G20
Ti(Br)x–Br
1 120.3 503 DfH0 in ref.
2 73.5 308
3 68.6 287
Ti(I)x–I
1 95.7 400 DfH0 in ref.
2 56.7 237
3 55.9 234
TiCptt2 –I, CpttZh5-1,3-di-tert- 40.6 170 Calorimetry 1999KIN/BEL

butylcyclo-pentadienyl
Ti(h5-C5Me5)2–I 52.3 219 Calorimetry 1999KIN/BEL
Ti(O)x–O
xZ0 (1) 160.6G2.2 672G9 (1) Review (1) 1990SIM/BEA
DfH0 in ref.
(3) 159.3G1.4 666.5G5.6 (3) Mol. beam (3) 1997NAU/HED
1 (2) 145.6 609
Ti–S 99.9G0.7 418G3 MS 1979PEL/VIS
Ti–Se 91G10 381G42 Review 1974GUR/KAR

–Te 69G4 289G17
Ti–N 113.8G8 476G33 MS 1970STE/KOH
(continued)
BDEs (boldfaceZ
recommended data;
Ti–B 65G15 272G63 Review 1974GUR/KAR
Ti–C 101.1G7.2 423G30 Review 1990SIM/BEA

–C2 137 573
TiO2–EuO 131.7G6 551G25 MS 1985BAL/GIG
TiN(100, surf.)–TiN 78.4G6.9 328.0G28.9 STM 2000KOD/PET
Ti(polycr. surf.)–H2 24.9–39.0 104–163 Calorimetry 1966WED/STR
Ti(polycr. surf.)–O2 (1) 235.7 986 (1) Calorimetry (1) 1960BRE/HAY

(2) 218 912 (2) Review (2) 1982RAO/KAM
TiO2(110, surf.)–O2 4.3 (phys) 18 TPD 2006DOH/KIM
TiO2(110, surf.)–N2 6.7 (phys) 28 TPD 2006DOH/KIM
TiO2(110, surf.)–NO 8.4 35.1 Adsorption 2000SOR/RUS
Ti(CO)x(h5-C5H5)2–CO
1 40.6 170
TiO2(surf.)–CO w14.3 w60 Calorimetry 1998BOL/CER
TiO2(110, surf.)–CO 10 (phys) 42 TPD 2006DOH/KIM

Ti2O(110, surf.)CO–CO 9.9 41.4 TPD 1995LIN/LU
TiO2(110, surf.)/Au–CO 2.7G0.7 11.4G2.8 TPD 1999BON/PAR
Ti(polycr. surf.)–CO 153 640 Calorimetry 1965BRE/HAY
Ti(polycr. surf.)–CO2 (1) 163 682 (1) Review (1) 1964HAY/TRA

(2) 191 799 (2) Calorimetry (2) 1965BRE/HAY
TiO2(110, surf.)–H2O (1) 17 71 (1) TPD (1) 1994HUG/GAM

(2) 17–19 71–79 (2) TPD (2) 1996HEN
(3) 14–24 68–100 (3) Mol. Beam (3) 1998BRI/DIE
TiO2(001, surf.)–NH3 22 92 TDP 2004WIL/IDR
Ti–CH3 42G7 174G29 GIB MS 1990ARM
Ti(Cl)(h5-C5H5)2–CH3 (1) 70.0G2.6 293G11 (1) Calorimetry (1) 1987CAL/DIA

(2) 66.0 276 (2) Derived (2) 1988DIA/SIM
Ti(CH3)x(h5-C5H5)2–CH3
xZ0 (1) 73.9 309 (1) Derived (1) 1988DIA/SIM
1 (1) 68.6 287
(2) 65.5G1.2 274G5 (2) Calorimetry (2) 1987CAL/DIA
(3) 71.2G1.4 297.9G5.9 (3) Review (3) 1994NOL
Ti(CH3)x(h5-C5Me5)2–CH3
xZ0 (1) 71.7G6.9 300G29 (1) Calorimetry (1) 1988DIA/SAL
1 (1) 64.8 271G21
(2) 67.2G1.9 281G8 (2) Re-cal. (2) 1990SIM/BEA
Ti(h5-C5Me5)2–CH3 71.7G6.9 300G29 Calorimetry 1988DIA/SAL
TiO2(001, surf)–H2CO 40 167.4 Re-anal. 2001MAD/IDR
(continued)
BDEs (boldfaceZ
recommended data;
Ti(Cl)(h5-C5H5)2–C2H5 35.9 150 Review 1990SIM/BEA
Ti(polysc.)–C3H7F 20.5 85.8 Kinetics 1971HAR/SUM
Ti(polysc.)–C2H5Cl 22.3 93.2 Kinetics 1971HAR/SUM

–C3H7Cl 23.5 98.3
Ti(polysc. surf.)–C3H7Br 27.5 115.1 Kinetics 1971HAR/SUM
Ti(polysc. surf.)–C3H7I 29.5 123.4 Kinetics 1971HAR/SUM
Ti(Cl)(h5-C5H5)2–C6H5 (1) 69.3G3.1 290G13 (1) Calorimetry (1) 1987CAL/DIA

(2) 69.8 292 (2) Derived (2) 1988DIA/SIM
Ti(C6H5)x(h5-C5H5)2–C6H5
1 (1) 69.3 290
(3) 79.3G2.4 331.8G10 (3) Review (3) 1994NOL
Ti(C6H5)x(h5-C5Me5)2–C6H5
xZ0 (1) 87.5G7.4 366G31 (1) Calorimetry (1) 1988DIA/SAL
1 (1) 64.3G66.9 269G28
(2) 66.9G4.5 280G19 (2) Re-cal. (2) 1990SIM/BEA
Ti(C6H6)x–C6H6
xZ0 (1) 40.6G3 169.8G12.5 Derived (1) 1999KUR/TAK
(2) 22.1 92.6 (2) 2001PAN/RAO
1 (2) 73.8 308.7
Ti(R)(h5-C5H5)2–L
LZ3-CH3C6H4 71.5G2.4 299G10 Calorimetry 1987CAL/DIA
-4-CH3C6H4 71.0G2.4 297G10
-4-CF3C6H4 71.0G2.4 297G10
-4-CH3O–C6H4 72.9G2.2 305G9
(h5-C5H5)Fe(h5-C5H4) 66.4G2.6 278G11
Cl4Ti–CH3CHCHCHO 14.0G0.6 58.6G2.5 Calorimetry 1982CHI/MUL

–CH3CHCHC(O)OCH3 13.6G0.7 56.9G2.9
–CH3C(CH3)CHCHO 17.9G0.3 74.9G1.3
–CH3CHCHCN 11.5G0.3 48.1G1.3
Ti–O bonds
C5H5
Me
Me
C5H5 O
Ti N X
Cl Me Me
XZH w26 w109 Combined 2005HUA/HAN
OMe w26 w109
14.1.2 TiC– and TiK–X bonds

Table 14.1.2 BDEs of TiD– and TiL–X Bonds
BDEs (boldfaceZ
recommended data;
TiC–Ti (1) 56.2 234.9 (1) CID (1) 1994RUS/HEI

(2) 54.7 229 (2) Review (2) 2001ARM
(3) 36.9 154.2 (3) Est. by exp. (3) 2004HUB/HIM
TiC(Ti)x–Ti
xZ1 (1) 55.0 230 (1) Review (1) 2001ARM
2 (1) 80.8 338
3 (1) 81.3 340
4 (1) 84.6 354
5 (1) 95.6 400
6 (1) 66.4 278
7 (1) 82.7 346
8 (1) 80.1 335
9 (1) 82.2 344
10 (1) 97.0 406
(continued)
Table 14.1.2 (continued) BDEs of TiC– and TiK–X Bonds
BDEs (boldfaceZ
recommended data;
11 (1) 112.3 470

12 (1) 76.7 321
13 (1) 95.6 400
14 (1) 86.0 360
15 (1) 82.2 344
16 (1) 76.0 318
17 (1) 107.6 450
18 (1) 97.8 409
19 (1) 94.4 395
20 (1) 98.0 410
N (2) 112.5 471 (2) Review (2) 1994ARM/HAL
(3) w100.6 w421 (3) Extrapolate (3) This volume
TiCO–Mn 40.65G0.03 170.09G0.12 PD 2001FU/RUS

TiC–OMn 111.1G2.5 465.0G10.6
TiC–Fe (1) 60G6 251G25 (1) PD 1987HET/FRE

(2) O49 O205 (2) Ion reactions
TiC–Pt 20G23 82G96 Derived from IP 1996NIST

in ref.
TiC–H 54.2G2.5 226.6G10.6 GIB MS 1988ELK/ARM
TiC–F R109 R456 Ion reactions 1978ALL/RID
TiC(Cl)x–Cl
xZ0 102 426.8 Derived 1999KNE/LER
1 90 376.6
2 78 326.4
3 38 159.0
TiC(H2)x–H2
xZ0 (1) 7.5G0.5 31.4G2.1 Equilibrium (1) 1997BUS/MAI
(2) 7.9 33.1 (2) 1999BOW/KEM

1 (1) 9.7G0.6 40.6G2.5
(2) 9.8 41.0
2 (1) 9.3G0.7 38.9G2.9
(2) 9.3 38.9
3 (1) 8.5G0.4 35.6G1.7
(2) 8.7 36.4
4 (1) 8.2G0.4 34.3G1.7
(2) 8.5 35.6
5 (1) 8.7G0.4 36.4G1.7
(2) 8.3 34.7
TiC–C (1) 94.4G5.5 395G23 GIB MS (1) 1991CLE/ELK

–CH (2) 121G4 506G17 (2) 1988SUN/ARM
(3) 114.2G1.3 478G5 (3) 1989SUN/ARM
–CH2 (2) 93.4G3.5 391G15
TiC(CH3)x–CH3
xZ0 (1) 57.5G2.8 241G12 GIB MS (1) 1988SUN/ARM
(2) 51.1G0.7 213.8G3 (2) 1989SUN/ARM
1 (2) 62G6 259G25
TiC(CH4)x–CH4
xZ0 16.8G0.6 70.3G2.5 Equilibrium 1999KOP/PER
1 17.4G0.6 72.8G2.5
2 6.6G1.5 27.6G6.3
3 9.8G0.8 41.0G3.3
4 5.1G0.7 21.3G2.9
H(CH3)TiC(CH4)x–CH4
xZ2 9.8G0.8 41.0G3.3 Equilibrium 1995KOP/KEM
3 5.1G0.7 21.3G2.9
(CH2)TiC(CH4)x–CH4
xZ0 O24 O100 Equilibrium 1995KOP/KEM
1 19.2G1.0 80.3G4.2
2 7.2G0.5 30.1G2.1
TiC–C2H2 (1) 60.4G4.6 253G19 (1) GIB MS (1) 1989SUN/ARM

(2) 51G3 213G13 (2) Re-examined (2) 1997GID/KOP
–C2H3 (1) 79.9G5.8 334G24
–C2H4 (1) R28.5 R119
(continued)
BDEs (boldfaceZ
recommended data;
(3) 34.8G2.5 146G11 (3) GIB MS (3) 1998SIE/JAR

(4) 31 129.7 (4) Review (4) 1998SCH/SCH
–C2H5 (1) 49.5G1.6 207G7
–(CH3)2 (5) 112.8G6.0 472G25 (5) Review (5) 1996ARM/KIC
TiC–C3H4 (1) 60G3 251G13 (1) GIB MS (1) 1989SUN/ARM

–C3H6 (2) 34.5G3 144G13 (2) KERD (2) 1998KOP/BOW
–C4H6 (3) O28.1 O118 (3) Ion reactions (3) 1976ALL/RID
TiC(C6H6)x–C6H6
xZ0 (1) 61.9G2.2 259G9 (1) CID (1) 1995MEY/KHA
(2) 51 213 (2) FT-ICR (2) 2002GAP/DUN
1 (1) 60.5G4.3 253G18
(2) 65 272
ClTiC(C6H6)x–C6H6
1 39 163
Cl2TiC(C6H6)x–C6H6
1 !30 !126
BrTiC(C6H6)x–C6H6
1 39 163
Br2TiC(C6H6)x–C6H6
1 !30 !126
ITiC(C6H6)x–C6H6
1 40 167
I2TiC(C6H6)x–C6H6
1 !30 !126
TiC(O)x–O
xZ0 (1) 151–257 632–1075 (1) ICR (1) 1981KAP/STA
(2) 159.4G1.6 667G7 (2) CID (2) 1991CLE/ELK
1 (3) 80.7G2.3 337.7G9.6 (3) CID (3) 1999HAR/DIE
TiC(S)–O 76.8G3.5 321.3G14.5 CID 2000KRE/SCH
TiC–O2 122.8 514 Review 2006SCH
TiC–OH (1) 113.0 473 Ion reactions (1) 1989MAG/DAV(b)

(2) 111.1G2.8 465G12 (2) 1993CLE/ARI
TiC(CO)x–CO
xZ0 28.1G1.4 117.7G5.8 CID 1996MEY/ARM
1 27.0G0.9 112.9G3.9
2 23.9G0.9 100.0G3.9
3 20.8G1.2 86.9G4.8
4 16.6G0.9 69.5G3.9
5 17.8G0.7 74.3G2.9
6 12.5G1.6 52.1G6.8
TiC(H2O)x–H2O
xZ0 (1) 38.0 159.0 CID (1) 1989MAG/DAV(b)
(2) 37.7G1.4 157.7G5.9 (2) 1994DAL/HON
1 (2) 32.6G1.2 136.4G5.0
2 (2) 16.0G1.6 66.9G6.7
3 (2) 19.9G1.8 83.3G7.5
TiC–S 110.2G1.6 461.1G6.8 CID 2000KRE/SCH
TiC–CS 36.9G1.4 154.4G5.8 CID 2000KRE/SCH
TiC(O)–S 27.4G4.6 114.8G19.3 CID 2000KRE/SCH
(continued)
BDEs (boldfaceZ
recommended data;
TiC–N 119.7G3.0 501G13 GIB MS 1990CLE/SUN

–NH 111.4G2.8 466G12
–NH2 85.1G3 356G13
TiC(NH3)x–NH3
xZ0 47.1G1.7 197G7 GIB MS 1998WAL/ARM
1 42.1G3.6 176G15
2 44.0G4.3 184G18
3 38.5G2.2 161G9
TiC–pyridine 52.2G2.2 218.4G9.3 CID 2000ROD/STA

TiC–adenine %82.1G3.5 %343.4G14.8 GIB MS 2002ROD/ARM
TiC–imidazole R41.9G0.6 R175.5G2.6 CID 2004RAN/AMU

%55.5G2.0 %232.4G8.2
TiC–Si 59.5G3.9 249G16 CID 1994KIC/ARM

–SiH 53.0G2.5 222G10
–SiH2 50.0G1.6 209G7
–SiH3 39.0G4.2 163G17
TiC–Si(CH3)2 O60 O251 GIB MS 1986HAY/KRU

–SiH(CH3) O60 O251
(OTi)K–O 150 628 Derived 2000SCH/SCH

14.2 Zr– and Zr+–X bonds

14.2.1 Zr–X bonds
Table 14.2.1 BDEs of Zr–X Bonds
BDEs (boldfaceZ
recommended data;
Methods
The broken bonds (boldfaceZ (reference in
Zr–Zr (1) 71.3G0.1 298.2G0.1 (1) Spectrometry (1) 1994ARR/BLU

(2) 35.5 148.4 (2) Review (2) 1996SMI/YAT
Zr–Ti 51.2G0.1 214.3G0.1 Spectrometry 1995LAN/MOR
Zr–V 62.3G0.1 260.7G0.3 Spectrometry 1995LAN/MOR
Zr–Co 73.23G0.02 306.39G0.10 Spectrometry 1994ARR/BLU

–Ni 66.9G0.1 279. 8G0.1
Zr(H)x(h5-C5Me5)2–H
xZ0 (1) 83.9G1.8 351.0G7.5 (1) Calorimetry (1) 1988SCH/MAR
1 (1) 74.4G1.5 311.3G6.3
(2) 78G1 326.4G4 (2) Re-cal. (2) 1995KIN/MAR
Zr(h5-C5Me5)2(O-tBu)–H 83.2G3.1 348.1G13.0 Calorimetry 1988SCH/MAR

Zr(h5-C5Me5)2(Ph)–H 78.7G1.7 329.3G7.1
Zr(F)x–F
xZ0 (1) 148 619 (1) Derived (1) 1966MUR/HIL
(2) 147.2G3.6 616G15 (2) Derived (2) 1991BAR/TSI
(3) 145 607 (3) Derived from (3) 1996NIST
DfH0 in ref.
(4) 149.9G2.5 627.2G10.5 (4) Derived (4) 1997HIL/LAU
1 (1) 176 736
(2) 148.9G3.8 623G16
(3) 172.2 720
(4) 161.2G2.5 674.5G10.5
2 (1) 141G5 590G21
(2) 160.6G4.3 672G18
(continued)
Table 14.2.1 (continued) BDEs of Zr–X Bonds
BDEs (boldfaceZ
recommended data;
Methods
(3) 149.8 627

(4) 149.6G4.5 625.9G18.9
3 (1) 156G5 653G21
(2) 158.9G3.6 665G15
(3) 154.8 648
(4) 157.9G2.5 660.7G10.5
Zr(Cl)x–Cl
1 122.6 513 DfH0 in ref.
2 109.8 459
3 115.9 485
Zr(h5-C5Me5)2–Cl 115.0 481.2 Review 1992DRA/WON

–Br 98.0 410.0
Zr(Br)x–Br
1 140.4 587 DfH0 in ref.
2 88.0 368
3 77.8 326
Zr(I)x–I
xZ0 (1) 73 305.4 (1) Derived (1) 1978KLE/CUB
1 (1) 86 359.9 DfH0 in ref.
(2) 182.7 764
2 (1) 92 384.9
(2) 62.6 262
3 (1) 80 334.7
(2) 59.1 247
ZrCptt2 –I, CpttZh5-1,3-di-tert- 58.0 243 Calorimetry 1999KIN/BEL

butylcyclopentadienyl
Zr(I)(h5-C5Me5)2–I 80.4G0.5 336.4G2.1 Re-cal. 1995KIN/MAR
Zr–C (1) 134G6 561G25 (1) Review (1) 1990SIM/BEA

(2) 73.2 306.4 (2) Spectroscopy (2) 1994ARR/BLU
(3) 118.5G9.2 495.8G38.6 (3) Derived (3) 1996SIE/CHE(b)
–C2 (1) 139 581
Zr(O)x–O
xZ0 (1) 191.4 801 (1) Derived from (1) 1996NIST
DfH0 in ref.
(2) 183.1G2.5 766.1G10.6 (2) Derived (2) 2000SIM/MIT
1 (1) 142 594
Zr–S (1) 137.5G4 575.3G16.7 (1) MS (1) 1975STE/CAT

Zr–N 135G6 565G25 MS 1968GIN(b)
Zr(surf.)–O2 258 1080 Review 1982RAO/KAM
Zr(polycr. surf.)–CO 150 627 Calorimetry 1965BRE/HAY
ZrO2(surf.)–CO w14.3 w60 Calorimetry 1998BOL/CER
Zr(h5-C5Me5)2(Ph)(OH)x–OH
xZ0 115.3G1.5 482.4G6.3 Calorimetry 1988SCH/MAR
1 115.4G2.5 482.8G10.5
Zr(h5-C5Me5)2(NH2)H–NH2 100.7G3.6 421.3G15.1 Calorimetry 1988SCH/MAR
Zr(h5-C5H5)2(CH3)–CH3 68.1G0.5 284.9G2.1 Review 1994NOL

Zr(h5-C5Me5)3–CH3 66.0G2.4 276G10
Zr(h5-C5Me5)2(OPh)–CH3 70.6G1.0 295.4G4.2 Calorimetry 1988SCH/MAR
(continued)
Table 14.2.1 (continued) BDEs of Zr–X Bonds
BDEs (boldfaceZ
recommended data;
Methods
Zr(h5-C5Me5)(CH3)x–CH3
1 (1) 67.7G2.1 283.3G8.8
(2) 67.9G0.5 284.1G2.1 (2) Review (2) 1994NOL
(3) 67G1 280.3G4 (3) Re-cal. (3) 1995KIN/MAR
2 (1) 64.6G1.9 270.3G7.9
Zr(h5-C5H5)2Si(SiMe3)3–CH3 66G5 276G21 Calorimetry 1995KIN/MAR
ZrO2(110, surf)–H2CO 28 117.2 Re-anal. 2001MAD/IDR
Zr–CH3OCH3 19.1G0.5 80G2 PEI-ZEKE 2001PED/ZGI
Zr(h5-C5Me5)2(CF3CH2O)– 103.2G2 431.8G8.4 Re-cal. 1995KIN/MAR

CF3CH2O
Zr(tC4H9O)(h5-C5H5)2–SiMe3 59G5 247G21 Re-cal. 1995KIN/MAR

Zr(h5-C5H5)2(Si(SiMe3)3)– 45G7 188G30
SiMe3
Zr(h5-C5Me5)2(OC6F5)– 104.6G3.0 437.6G12.6 Calorimetry 1988SCH/MAR

OtC4H9
Zr(h5-C5H5)2(C6H5)–C6H5 71.7G2.4 300G10 Review 1994NOL
Zr(h5-C5Me5)2(C6H5)–C6H5 (1) 74.6G2.4 312.1G10 (1) Review (1) 1994NOL

(2) 73.1G3.5 305.9G14.6 (2) Re-cal. (2) 1995KIN/MAR
Zr(h5-C5Me5)2(Me)–OC6H5 90.9 380.3 Calorimetry 1988SCH/MAR

Zr(h5-C5Me5)2(C6F5O)–OC6F5 105G3 439G13 Re-cal. 1995KIN/MAR
(h5-C5H5)2Zr(L)–Si(SiMe3)3
LZCl 57G3 239G13 Calorimetry 1995KIN/MAR
Me 56G5 234G21
SiMe3 42G11 176G46
14.2.2 ZrC–X bonds

Table 14.2.2 BDEs of ZrD–X Bonds
BDEs (boldfaceZ
recommended data;
ZrC–Zr 97.3G2.3 407.0G9.6 Photofrag. 2004AYD/LOM
ZrC–Ar 8.63G0.06 36.09G0.24 PI 1995ASH/BEL
ZrC–H (1) 53.0G1.8 221.7G7.5 GIB MS (1) 1996SIE/CHE

(2) 52.3G2.3 218.8G9.6 (2) 2003ARM/SIE
ZrC–2H 115.8G3 484G13 GIB MS 2003SIE/ARM
ZrC(H2)x–H2
1 10.7G0.2 44.8G0.8
2 10.1G0.3 42.3G1.3
3 9.1G0.5 38.1G2.1
4 9.2G0.5 38.5G2.1
5 8.6G0.6 36.0G2.5
6 8.5G0.8 35.6G3.3
ZrC–C (1) 108.8G2.5 455G11 GIB MS (1) 1996SIE/CHE(b)

(2) 112.5G3.5 471G15 (2) 2003ARM/SIE
(3) 106.5G3.7 445.8G15.4 (3) 2003SIE/ARM
(continued)
Table 14.2.2 (continued) BDEs of ZrC–X Bonds
BDEs (boldfaceZ
recommended data;
–CH (2) 137.4G5.1 575G21

(3) 135.8G3 568G13
(4) 139.1G3.1 582G13 (4) 1999ARM(c)
–CH2 (2) 106.5G1.6 445.8G7
(3) 106.3G1.2 444.8G5
(4) 107.3G1.2 449G5
–CH3 (2) 53.0G5.5 222G23
(3) 54.4G2.3 227.7G9.6
(4) 58.3G3.6 244G15
–(H)(CH3) (3) 125.2G3.5 524G14
ZrC–C2H (1) 105.4G2.8 441G12 (1) Ion (1) 2003SIE/ARM

reactions
–C2H2 (1) 65.3G3.5 273G14
(2) 59G3 247G13 (2) PD (2) 1995RAN/FRE
–C2H3 (1) 87.2G5.5 365G23
–C2H4 (1) 65.5G4.2 274G17
(3) 35 146.4 (3) Review (3) 1998SCH/SCH
–C2H5 (1) 54.7G3.9 229G16
ZrC–C3H2 125.7G4.6 526G19 GIB MS 2003SIE/ARM

–C3H3 R94.5G5.3 R396G22
–C3H4 O65.5 O274
–C3H6 O28.1 O118
ZrC(O)x–O
xZ0 (1) 180.0G2.5 753G11 CID (1) 1996SIE/CHE(b)
1 (2) 89.0G1.6 372.4G6.7 (2) 1999SIE/ARM
ZrC(S)–O 101.9G4.2 426.5G17.4 Derived 2006KRE/SCH
ZrC–O2 156.3 654 Review 2006SCH

ZrC(O)x–CO
xZ0 18.4G2.4 77G10 CID 1999SIE/ARM
1 19.4G1.8 81.0G7.7
ZrC(O2)–CO 23.3G1.8 97.4G7.7 CID 1999SIE/ARM

ZrC(O)–CO2 17.1G1.4 71.4G5.8
ZrC–S (1) 127.4G5 533G21 Ion reactions (1) 2003ARM

(2) 131.2G2.3 549.0G9.6 (2) 2006KRE/SCH
ZrC(O)–S 54.4G10.1 227.7G42.5 Derived 2006KRE/SCH
ZrC(S)–S 88.1G15.7 368.6G65.6 Derived 2006KRE/SCH
ZrC–CS (1) 61.7G2.6 258G11 Ion reactions (1) 2000ROD/ARM(b)

(2) 61.6G2.5 257.6G10.6 (2) 2006KRE/SCH
ZrC–N (1) 110G13 460G54 (1) Derived (1) 1974GUR/KAR

(2) 106G11 443G46 (2) Der. from IP (2) 1996NIST
in ref.
14.3 Hf– and HfC –X bonds

Table 14.3 BDEs of Hf– and HfD–X Bonds
BDEs (boldfaceZ
recommended data;
Hf–Hf 78.4G14 328G58 Correlation 1986MOR
Hf(H)(h5-C5Me5)2–H (1) 76.8G0.8 321.3G3.3 (1) Calorimetry (1) 1988SCH/MAR

(2) 82.7G1.9 346.0G7.9 (2) Review (2) 1994NOL
(continued)
Table 14.3 (continued) BDEs of Hf– and HfC–X Bonds
BDEs (boldfaceZ
recommended data;
Hf(F)x–F
xZ0 155G3.6 650G15 MS 1991BAR/TSI
1 153.4G3.3 642G14
2 153.0G4.8 640G20
3 167.8G4.3 702G18
HfCptt2 –I Cptt: h5-1,3-di-tert- 61.2 256 Calorimetry 1999KIN/BEL

butylcyclopentadienyl
Hf–O 191.4G3.1 801G13 Review 1990SIM/BEA
Hf–N 127.9G7.2 535G30 MS 1974KOH/STE
Hf–C 129G6 540G25 Review 1990SIM/BEA

–C2 161 674
HfO2(surf.)–O2 271 1134 Review 1982RAO/KAM
HfO2(surf.)–CO w14.3 w60 Calorimetry 1998BOL/CER
Hf(h5-C5Me5)(CH3)x–CH3
1 (1) 70.9G0.9 296.6G3.8
(2) 73.1G1.8 305.9G7.5 (2) Review (2) 1994NOL
2 (1) 69.4G0.8 290.4G3.3
(2) 70.3G2.4 294G10
Hf(h5-C5Me5)(C4H9)–C4H9 65.5G2.4 274G10 Review 1994NOL
HfC–H 55.8 233.5 Review 1990OHA/GOD

HfC–CH2 102G9 427G38 ICR 1991IRI/BEA
HfC(O)x–O
xZ0 (1) 173G5 724G21 (1) Derived (1) 2000SCH/SCH
(2) 173.8 727 (2) Review (2) 2006SCH
1 (2) 110.7 463
HfC–O2 166.6 697 Review 2006SCH
HfC–N 55G10 229G42 Derived from IP 1996NIST

in ref.
HfC–C2H4 36 150.6 Review 1998SCH/SCH

chapter fifteen
BDEs of V(V G)–, Nb(Nb C )–, and

Ta(TaC)–X bonds
15.1 V–, VC–, and VK–X bonds

15.1.1 V–X bonds
Table 15.1.1 BDEs of V–X Bonds
BDEs (boldfaceZ
recommended data;
V–V (1) 56.9G5 238G21 (1) MS (1) 1969KAN/LIN

(2) 57.8 242 (2) Review (2) 1979MIE/GIN
(3) 43.6 182.4 (3) Spectrometry (3) 1984LAN/MOR
(4) 64.4G0.1 269.3G0.1 (4) Spectrometry (4) 1992SPA/MOR(b)
(5) 61.3 256.5 (5) Review (5) 1996SMI/YAT
V(V)x–V
xZ1 (1) 32.7 137 (1) CID (1) 1996ARM/KIC
2 (1) 84.6 354
3 (1) 71.0 297
4 (1) 92.9 389
5 (1) 86.0 360
6 (1) 94.8 397
7 (1) 80.9 339
8 (1) 90.6 379
9 (1) 87.2 365
10 (1) 94.3 395
11 (1) 106.8 447
12 (1) 93.4 391
13 (1) !101.9 !426
14 (1) O96.6 O404
15 (1) 96.9 405
16 (1) 89.0 372
17 (1) !92.7 !388
(continued)
689
Table 15.1.1 (continued) BDEs of V–X Bonds
BDEs (boldfaceZ
recommended data;
N (2) 122.4 512 (2) Review (2) 1994ARM/HAL

V–Nb 88.3G0.1 369.3G0.1 Spectrometry 1994JAM/KOW
V–Ti 48.6G0.1 203.2G0.1 Spectrometry 1992SPA/MOR(b)
V–Zr 62.3G0.1 260.6G0.3 Spectrometry 1995LAN/MOR
V–Ru 98.9G6.9 414G29 Review 1986MOR

–Rh 86.9G6.9 364G29
V–Ni 49.3G0.1 206.4G0.2 Spectrometry 1990SPA/MOR
V(100, surf.)–Ag 69.4 290.4 STM 2003KRA/PER
V–Au 58.8G2.1 246.0G8.7 Review 1986MOR
V–Al 35.2G0.2 147.4G1.0 Spectrometry 2001FU/RUS
V–H (1) 37.9G3 159G13 (1) Ion reactions (1) 1985SAL/LAN

(2) 41.1G4 172G17 (2) Review (2) 1990SIM/BEA
(3) 50.0G1.6 209.3G6.8 (3) GIB MS (3) 1993CHE/CLE
V–F 141G15 590G63 Review 1974GUR/KAR

–Cl 114G15 477G63
–Br 105G10 439G42
V(O)x–O (1) 149.5G2 625.5G8.5 (1) MS (1) 1983BAL/GIG

xZ0 (2) 149.4G4.5 625G19 (2) Review (2) 1990SIM/BEA
DfH0 in ref.
1 (1) 131.9G4.8 552G20
(3) 145.7 610
BDEs of V(VG)–, Nb(NbC)–, and Ta(TaC)–X bonds 691
V–S (1) 107.4G3.5 449.4G14.6 MS (1) 1967DRO/PAT

(2) 117.1G4 490G17 (2) 1974OWZ/FRA
(3) 114.2G0.5 477.9G1.9 (3) 1984BOT/EDW
V–Se 83G5 347G21 Review 1974GUR/KAR
V–N 125G9 523G38 FT-MS 1988BUC/GOR
V–C (1) 101.1G5.7 423G24 (1) MS (1) 1981GUP/GIN

–C2 (1) 136.6G4.6 572G19
(2) 138 578 (2) Review (2) 1990SIM/BEA
(h5-C5H5)(CO)3V–h2H2 21.5G4.8 90G20 PAC 1991JOH/POP

–N2 28.7G4.8 120G20
V(surf.)–O2 200 836 Review 1982RAO/KAM
(h5-C5H5)(CO)3V–CO 35G5 146G21 PAC 1993GEO/HAW
V–CH3 40G4 169G18 Review 1996ARM/KIC
V(C6H6)x–C6H6
xZ0 (1) 62G5 259G21 (1) Photolysis (1) 1986HET/JAC
(2) 18.2 76.2 (2) Derived (2) 2004KAN/RAO
1 (1) 57G5 238G21
(2) 73.6 307.8
15.1.2 VC–X bonds

Table 15.1.2 BDEs of VD–X Bonds
BDEs (boldfaceZ
recommended data;
VC(V)x–V
xZ0 (1) 72.4 303 (1) CID (1) 1994RUS/HEI
(2) 72.2 302 (2) Review (2) 2001ARM
1 (2) 52.3 219
(3) 54.46G0.02 227.85G0.10 (3) PD (3) 2001FU/RUS
2 (2) 81.4 341
3 (2) 74.7 313
4 (2) 95.1 398
5 (2) 88.9 372
6 (2) 92.0 385
7 (2) 84.6 354
8 (2) 91.3 382
9 (2) 91.3 382
10 (2) 95.1 398
11 (2) 107.2 449
(4) 100.3 419.7 (4) Radiation (4) 2005HAN/HER
12 (2) 92.7 388
13 (2) 108.0 452
14 (2) 89.9 376
15 (2) 96.6 404
16 (2) 91.1 381
17 (2) 97.5 408
18 (2) 105.9 443
N (5) 122.4 512 (5) Review (5) 1994ARM/HAL
VC–Nb 96.4G0.1 403.5G0.2 Derived from IP 1996NIST

in ref.
VC–Fe (1) 75G5 314G21 (1) PD 1987HET/FRE

VC–Ar (1) 6G5 25G21 (1) CID (1) 1986ARI/ARM

(2) 9.39G0.004 39.29G0.18 (2) PD (2) 1989LES/BRU(b)
(3) 9.41G0.03 39.39G0.12 (3) PD (3) 1998HAY/BEL
VC–Kr (1) 10G5 42G21 (1) CID (1) 1986ARI/ARM

(2) 11.82G0.04 49.46G0.18 (2) PD (2) 1989LES/BRU(b)
VC–Xe (1) 19.8G4 83G17 (1) CID (1) 1986ARI/ARM

(2) 19.1G1.6 80G7 (2) CID (2) 1995SIE/ARM
(3) 15.9G0.1 66.4G0.6 (3) PD (3) 1996BEL/BUT
VC–H (1) 50G2 209G8 (1) Ion reactions (1) 1984ARI/ARM

(2) 48.2G1.4 201.7G6 (2) Ion reactions (2) 1985ELK/ARM
(3) 48.2G1.4 202G6 (3) Review (3) 1990SIM/BEA
(CO)6VC–H (1) 56G3 234.3G12.6 (1) Thermochemical (1) 1981STE/BEA

(2) 52.6G3.3 220G14 (2) Review (2) 1990SIM/BEA
VC(V)x–D
xZ0 (1) 48.2G1.4 202G6 Ion reactions (1) 1985ELK/ARM
1 (2) 52.1G4.2 218G17 (2) 2002LIY/CON
2 (2) 42.9G4.4 179G18
3 (2) 48.9G5.8 205G24
4 (2) 54.0G7.1 226G30
5 (2) 58.6G7.4 245G31
6 (2) 60.6G4.8 254G20
7 (2) 53.5G8.8 224G37
8 (2) 63.0G5.3 264G22
9 (2) 53.3G9.2 223G39
10 (2) 59.0G7.6 247G32
11 (2) 66.2G11 277G46
12 (2) 63.9G11 267G46
VC(S)–D 58.3G2.3 243.9G9.6 CID 1998KRE/SCH
VC(H2)x–H2
1 10.7G0.5 44.8G2.1
2 8.8G0.4 36.8G1.7
3 9.0G0.4 37.7G1.7
4 4.2G0.5 17.6G2.1
5 9.6G0.5 40.2G2.1
6 !2.5 !10.5
(continued)
Table 15.1.2 (continued) BDEs of VC–X Bonds
BDEs (boldfaceZ
recommended data;
VC(H2O)(H2)x–H2
1 8.5G0.4 35.6G1.7
2 6.9G0.7 28.9G2.9
VC(H2O)2–H2 6.7G1.5 28.0G6.3 Equilibrium 1993BUS/KEM
VC–C (1) 88G5 368G21 GIB MS (1) 1984ARI/ARM

(2) 89.2G3.2 373G13.5 (2) 1991CLE/ELK
–CH (1) 106G5 444G21
(3) 112.4G1.2 470G5 (3) 1987ARI/ARM
–CH2 (1) 75G8 314G33
(3) 77.8G1.4 326G6
VC(CH3)x–CH3
xZ0 (1) 50.5G3 211G13 GB MS (1) 1984ARI/ARM
(2) 46.1G1.7 193G7 (2) 1986ARI/ARM
1 (1) 47.5G2.4 199G10
VC(H)–CH3 46G4 192G17 GIB MS 1995SIE/ARM(b)
VC–CH4 15.0G0.9 62.8G3.6 PD 1997HAY/BEL
VC–C2 (1) 125.3G3.6 524G15 (1) GIB MS (1) 1986ARI/ARM

–C2H (1) 117.4G1.8 491G8
–C2H2 (1) 48.9G4.6 205G19
(2) 41G2 172G8 (2) Re-examined (2) 1997GID/KOP
–C2H3 (1) 88.1G4.6 369G19
–CHCH3 (3) 67G5 280G21 (3) GIB MS (3) 1986ARI
–C2H5 (3) 54G4 226G17
–(CH3)2 (4) 93.5G1.7 391G7 (4) Review (4) 1996ARM/KIC
VC(C2H4)x–C2H4
xZ0 (1) 29.7G1.8 124G8 (1) CID (1) 1998SIE/JAR
(2) 28 117.2 (2) Review (2) 1998SCH/SCH
1 (1) 30.4G3.3 127G14
VC–C3H5 102G16 427G67 FT-MS 1988BUC/GOR
VC–C3H6 30.7G2 128.4G8.4 KERD 1998KOP/BOW
VC(h5-C5H5)x–(h5-C5H5)
xZ0 126.8 530.7 Multiphoto ionizat. 1992OPI/HAR
1 54.0 225.9
VC(C6H6)x–C6H6
xZ0 (1) 62G5 259G21 (1) PD (1) 1986HET/JAC
(2) 55.8G2.3 234G10 (2) CID (2) 1995MEY/KHA
(3) O55 O230 (3) FT-ICR (3) 2002GAP/DUN
1 (2) 58.8G4.3 246G18
(3) 60 251
VC(Cl)(C6H6)x–C6H6
1 !30 !126
VC(Br)(C6H6)x–C6H6
1 !30 !126
VC(I)(C6H6)x–C6H6
1 !30 !126
VC(O)x–O
xZ0 (1) 119–151 498–632 (1) ICR (1) 1981KAP/STA
(2) 139.0G2.3 581.6G9.6 (2) CID (2) 1998XU/ROD
(3) 141.5G6.5 592.0G27 (3) CID (3) 2001BEL/ZEM
(4) 137.2 574 (4) Review (4) 2006SCH
(continued)
BDEs (boldfaceZ
recommended data;
1 (3) 80.9G8.3 339G35

(4) 78.9 330
(5) 70.6G9.2 295G39 (5) CID (5) 1995SIE/ARM(b)
VC(V)x–O
xZ1 117.6 492 Review 2001ARM
2 168.3 704
3 173.0 724
4 168.3 704
5 170.7 714
6 161.3 675
7 129.1 540
8 138.4 579
9 154.4 646
10 122.1 511
11 103.7 434
12 117.6 492
13 124.5 521
14 136.0 569
VC
x –2O
xZ1 210.8 882 Review 2001ARM
2 299.7 1254
3 318.1 1331
4 338.4 1416
5 351.8 1472
6 345.8 1447
7 328.4 1374
8 308.1 1289
9 316.4 1324
10 291.6 1220
11 289.2 1210
12 285.9 1196
13 292.3 1223
14 270.3 1131
15 276.8 1158
VC(S)–O 82.3G3.9 344G16 Ion reactions 1998KRE/SCH

VC–O2 98.2 411 Review 2006SCH
VC–OH (1) 107.0 448 GIB MS (1) 1989MAG/DAV(b)

(2) 103.8G3.5 434G15 (2) 1993CLE/ARI
VC–OD 101.7G4.4 426G18 GIB MS 1994CLE/CHE
VC(O)–CO (1) 37 154 (1) PD (1) 1991LES/ASH(c)

(2) 24.2G2.3 101G10 (2) CID (2) 1995SIE/ARM(b)
VC(CO)x–CO
xZ0 27.4G0.7 114.8G2.9 CID 1995SIE/ARM
1 21.0G0.7 87.8G2.9
2 17.3G0.9 72.3G3.9
3 21.9G2.3 91.7G9.6
4 22.1G0.7 92.6G2.9
5 24.9G1.6 104.2G6.7
6 12.7G2.1 53.1G8.7
VC–CO2 17.3G0.9 72.4G3.8 CID 1995SIE/ARM(b)
VC(H2O)x–H2O
xZ0 (1) 36.2 151.5 CID (1) 1989MAG/DAV(b)
(2) 35.1 146.9 (2) 1989MAR/SQU
(3) 35.8G1.2 149.8G5.0 (3) 1994DAL/HON
1 (2) 35.5 148.5
(3) 36.0G2.3 150.6G9.6
2 (2) 12.1 50.6
(3) 16.2G1.1 67.8G4.6
3 (3) 16.0G1.8 66.9G7.5
OVC(OCD3)2–OCD3 87.6G4.6 366.6G19.3 PES 2004SCH/LOO
VC(S)x–S
xZ0 (1) 87.2G2.3 364.8G10 Ion reactions (1) 1998KRE/SCH
(2) 85.7G2.1 358.9G8.7 (2) 1999RUE/ARM
(continued)
BDEs (boldfaceZ
recommended data;
1 (1) R72.4G0.1 R303.0G0.4

(3) 89.7G2.5 375.3G10.6 (3) 2003KRE/SCH
2 (3) 78.6G3.7 329.0G15.4
VC(S)x–S2
xZ0 74.9G3.2 313.6G13.5 Ion reactions 2003KRE/SCH
1 68.5G4.4 286.6G18.3
VC(O)–S 31.4G5 131G21 Ion reactions 1998KRE/SCH
VC–SD 59.3G3.5 248G15 Ion reactions 1998KRE/SCH

–CS 39.2G1.8 164G8
–CS2 27.2G3.0 113.8G12.5
VC–N (1) 107.2G1.4 448.6G5.8 (1) GIB MS (1) 1990CLE/SUN(b)

–NH (1) 99.2G3.7 415G15
(2) 101G7 423G29 (2) GIB MS (2) 1988BUC/GOR
–NH2 (1) 73.3G2.3 306.8G9.6
(3) 70.0G1.4 293G6 (3) Review (3) 1996ARM/KIC
VC(NH3)x–NH3
xZ0 (1) 51.9 217.1 CID (1) 1989MAR/SQU
(2) 45.9G2.6 192G11 (2) 1998WAL/ARM
1 (1) 45 188
(2) 39.2G2.2 164G9
2 (1) 22.6 94.6
(2) 26.1G2.6 109G11
3 (1) 18.7 78.2
(2) 23.7G2.4 99G10
VC–pyridine 52.6G3.2 220.1G13.5 CID 2000ROD/STA

VC–pyrrole O41 O172 Kinetics 2000GAP/YAN
VC–adenine %64.4G2.6 %269.3G11 CID 2002ROD/ARM
VC–imidazole R52.9G0.6 R221.1G4.6 CID 2004RAN/AMU

%58.2G1.9 %243.4G8.0
VC–Si 54.7G3.5 229G15 Ion reactions 1994KIC/ARM

–SiH 48.2G2.8 202G12
–SiH2 46.6G2.1 195G9
–SiH3 35.5G3.7 149G16
VC–SiHCH3 O60 O251 Ion reactions 1986HAY/KRU

–Si(CH3)2 O60 O251
V2C–O 92.2G6.9 385.9G28.9 Ion reactions 2002SCH/ENG

–OH 73.8G9.2 308.7G38.6
15.1.3 VK–X bonds

Table 15.1.3 BDEs of VL–X Bonds
BDEs (boldfaceZ
recommended data;
(O2)VK–O 125.2G7.1 524G30 CID 2001BEL/ZEM
VK(CO)x–CO
xZ2 (1) 35.8G4.4 150G18 CID (1) 1993SUN/WAN
3 (1) 40.4G5.8 169G24
(2) 34G6 142G25 (2) 1992SUN/SQU
4 (1) 31.1G3.0 130G13
(2) 29G6 121G25
(continued)
Table 15.1.3 (continued) BDEs of VK–X Bonds
BDEs (boldfaceZ
recommended data;
5 (1) 30.8G3.5 129G15

(2) 35G6 146G25
(h5-C5H5)VK(CO)x–CO
xZ1 42.1G3.3 176G14 CID 1999SUN/SQU
2 43.5G3.8 182G16
VK(C6H5F)x–C6H5F
xZ0 14.4G3.8 60.2G16 PES 1997JUD/HIR
1 3G15 12.6G63
15.2 Nb– and NbC–X bonds

15.2.1 Nb–X bonds
Table 15.2.1 BDEs of Nb–X Bonds
BDEs (boldfaceZ
recommended data;
Nb–Nb (1) 127.3 532.4 (1) Review (1) 1996SMI/YAT

(2) 122.6 513 (2) CID (2) 1996ARM/KIC
(3) 126.1G2.3 527.6G9.6 (3) Photofrag. (3) 2004AYD/LOM
Nb(Nb)x–Nb
xZ1 (1) 107.1 448 (1) CID (1) 1996ARM/KIC
2 (1) 136.5 571
3 (1) 128.8 539
4 (1) 134.1 561
5 (1) 154.6 647
6 (1) 145.8 610
7 (1) 130.5 546
8 (1) 150.8 631
9 (1) 126.2 528
N (2) 174.3 729 (2) Review (2) 1994ARM/HAL
(3) w163 w682 (3) Extrapolate (3) This volume
Nb–V 88.3G0.1 369.3G0.1 Spectrometry 1994JAM/KOW
Nb(polysc.)–Na 62.3 260.5 TD 1971STE/FAD
Nb(polysc.)–K 57.7 241.2 TD 1971STE/FAD
Nb(110, surf.)–Cs 55.8 233.5 TDS 1993MAG/DAV
Nb(110, surf.)–Ba 85.8 358.9 TDS 1993MAG/DAV
Nb–Ti 72.2G0.1 302.0G0.1 Spectrometry 1995LAN/MOR
Nb–Cr 70.68G0.01 295.72G0.06 Spectrometry 2000SIC/LAN
Nb–Mo 108G6 452G25 Review 1986MOR
Nb–Co 63.82G0.02 267.02G0.10 Spectrometry 1994ARR/BLU
Nb–Ir 111G6 464G25 Review 1986MOR
Nb–Ni 65.0G0.1 271.9G0.1 Spectrometry 1994ARR/BLU
Nb–H O53.0G2.3 O221.9G9.6 Ion reactions 2000SIE/CHE
Nb(100, surf.)–H 65.0 272 Review 1988CHR
Nb(polycs. surf.)–F 117.6G3.5 492G14 Ion beam 1979BOL/BLA
Nb(100, surf.)–F 109 456 Ion beam 1981BOL/BLA
(continued)
Table 15.2.1 (continued) BDEs of Nb–X Bonds
BDEs (boldfaceZ
recommended data;
Nb(111, surf.)–F 108 452 Ion beam 1981BOL/BLA
Nb(polycs. surf.)–Cl 101.5G3.5 425G14 Ion beam 1979BOL/BLA
Nb(100, surf.)–Cl 92 385 Ion beam 1981BOL/BLA
Nb(111, surf.)–Cl 94 393 Ion beam 1981BOL/BLA
Nb(polycs. surf.)–Br 92.2G3.5 386G14 Ion beam 1979BOL/BLA
Nb(100, surf.)–Br 83 347 Ion beam 1981BOL/BLA
Nb(111, surf.)–Br 83 347 Ion beam 1981BOL/BLA
Nb(polycs. surf.)–I 72.6G3.5 304G14 Ion beam 1979BOL/BLA
Nb(O)x–O
xZ0 (1) 180.8 756 (1) Spectroscopy (1) 1979HUB/HER
(2) 183.8G6 769G25 (2) Review (2) 1990SIM/BEA
DfH0 in ref.
1 (3) 154.9 648
Nb2–O O85.3G11.5 O357G48 GIB MS 1989LOH/LIA
Nb–C (1) 134.8G3.1 564G13 (1) MS (1) 1981GUP/GIN

(2) 135.8G3.1 568G13 (2) Review (2) 1990SIM/BEA
(3) 125.2G3.5 523.8G14.5 (3) LIF/R2PI (3) 1997SIM/PRE
–C2 (1) 155.4G3.8 650G16

(2) 157 656
Nb(polycr. surf.)–H2 w78 w326 TD 1974KO/SCH
Nb(100, surf.)–H2 26.5 (phys) 111 Review 1978MAD/BEN
Nb(110, surf.)–H2 14.8G0.2 (phys) 61.9G0.8 Kinetics 1981PIC
Nb(polycr. surf.)–O2 (1) 207.7 869 (1) Calorimetry (1) 1960BRE/HAY

(2) 194 812 (2) Review (2) 1982RAO/KAM
Nb(polycr. surf.)–N2 O120 O502 TD 1974KO/SCH
Nb3(CO)x–CO
xZ0 65–78 270–328 PI 2004PED/RAY
1 39–42 164–174
Nb(polycr. surf.)–CO 132 522 Calorimetry 1965BRE/HAY
Nb(110, surf.)–CO 6.9 (phys) 28.9 TDS 1967DEG(c)

15 63
33.7 141
39.9 167
57.0 238
69 289
Nb(polycr. surf.)–CO2 (1) 132 552 (1) Review (1) 1964HAY/TRA

Nb(h5-C5H5)2H3–TFE 4.5G0.3 18.8G1.3 IR-NMR 2004BAK/BAK

–HFIP 5.7G0.3 23.8G1.3
TFEZtrifluoroethanol
HFIPZhexafluoro-
isopropanol
15.2.2 NbC–X bonds

Table 15.2.2 BDEs of NbD–X Bonds
BDEs (boldfaceZ
recommended data;
NbC(Nb)x–Nb (1) 136.0 569 (1) CID (1) 1996ARM/KIC

xZ0 (2) 137.9G2.3 576.8G9.6 (2) Photofrag. (2) 2004AYD/LOM
1 (1) 117.1 490 .
2 (1) 141.0 590
(2) 138.2G0.1 578.3G0.4
3 (1) 133.1 557
4 (1) 135.8 568
5 (1) 155.4 650
6 (1) 141.5 592
7 (1) 138.1 578
8 (1) 144.4 604
9 (1) 143.4 600
N (3) 174.3 729 (3) Review (3) 1994ARM/HAL
NbC–V 96.7G0.1 404.7G0.2 Derived from IP in 1996NIST

ref.
NbC–Fe (1) 68G5 285G21 (1) PD (1) 1987HET/FRE

(2) O60 O251 (2) Ion reactions (2) 1989BUC/FRE
NbC–Ar 9.77G0.03 40.87G0.13 PD 1996BUT/BEL
NbC–Xe 17.51G0.03 73.28G0.12 PD 1997BEL/BUT
NbC–H (1) 53G3 222G13 (1) PD (1) 1987HET/FRE

(2) 52.6G1.6 220G7 (2) GIB MS (2) 1996SIE/CHE
NbC(C)–H !88 !368 PD 1987HET/JAC

NbC(CH)–H 64G5 268G21
NbC(H2)x–H2
xZ0 14.8 61.9 Equilibrium 1999BOW/KEM
1 15.6 65.3
2 14.3 59.8
3 15.4 64.4
4 16.6 69.5
5 14.3 59.8
6 13.4 56.1
7 !1.0 !4.2
NbC–C (1) 135G31 565G130 (1) Ion reactions (1) 1987HET/JAC

(2) 119.0G3.5 498G15 (2) GIB MS (2) 1996SIE/CHE(b)
(3) 121.8G3.5 509G15 (3) GIB MS (3) 2000SIE/CHE
–CH (1) 145G8 607G33
(3) 138.8G4.6 581G19
(4) 142.7G5.5 597G23 (4) GIB MS (4) 1999ARM(c)
–CH2 (1) 109G7 456G29
(3) 102.4G2.1 428.4G8.7
(4) 106.1G0.7 444G3
–CH3 (3) 47.5G2.5 198.8G10.6
Nb2C–CH2 197G10 824G42 Ion reactions 1987BUC/FRE
NbC–CHC
2 107G10 448G42 Ion reactions 1987BUC/FRE
NbC
n –C2 ; ðnZ 2–6Þ R186.3 R779 FT ICR 1995JIA/FRE
NbC(H)–CH3 110.2G2.5 461.2G10.6 Ion reactions 2000SIE/CHE
NbC–CH3NH2 32.1 134 HP MS 1990GUO/CAS
NbC–C2H (1) 100.1G1.4 418.7G5.8 (1) Ion reactions (1) 2000SIE/CHE

–C2H2 (1) 66.9G1.4 279.8G5.8
(2) 57G3 238G13 (2) PD (2) 1995RAN/FRE
–C2H3 (1) 79.1G4.8 331G20
–C2H4 (1) 64.6G6.9 270G29
(3) 37 154.8 (3) Review (3) 1998SCH/SCH
–C2H5 (1) 56.5G2.8 236.4G11.6
(continued)
Table 15.2.2 (continued) BDEs of NbC–X Bonds
BDEs (boldfaceZ
recommended data;
NbC–C3H2 121.1G4.4 506.5G18.3 Ion reactions 2000SIE/CHE

–C3H3 R86.7G5.3 R363G22
–C3H4 O65.5 O274.0
–C3H5 R32.3G2.3 R135.1G9.6
–C3H6 O28.1 117.7
(NbFe)C–C3H4 O39 O163 Ion reactions 1989BUC/FRE
(NbFe)C(B)x–B
BZcyclopentadiene
xZ0 O32 O134 Ion reactions 1989BUC/FRE
1 O32 O134
(NbFe)C O36 O151 Ion reactions 1989BUC/FRE

–cyclohexadiene
(NbFe)C(B)x–B
BZcycloheptatriene
xZ0 O68G5 O285G21 Ion reactions 1989BUC/FRE
1 O47 O197
NbC–C6H4 R79 R331 Ion reactions 1991BUC/GOR
NbC(Fe)x–C6H6
xZ0 66G7 276G29 Ion reactions 1989BUC/FRE
1 O30 O126
NbC–C7H8 61G12 255G50 Ion reactions 1989BUC/FRE

NbC(O)x–O
xZ0 (1) w194 w812 (1) CID (1) 1989BUC/FRE
(2) 164.4G2.5 688G11 (2) CID (2) 1996SIE/CHE(b)
(3) 167.3 700 (3) Review (3) 2006SCH
1 (4) 131.7G3.9 551.0G16.4 (4) CID (4) 1998SIE/ARM
NbC(S)–O 129.4G3.7 541.3G15.4 Derived 2006KRE/SCH
NbC–O2 180.9 757 Review 2006SCH
NbFeC–O O85 O356 Ion reactions 1989BUC/FRE
NbFeOC
x –O;
x Z1,2 O119 O498 Ion reactions 1989BUC/FRE
NbC(O)x–CO
xZ0 22.8G1.2 95.5G4.8 CID 1998SIE/ARM
1 25.4G1.2 106.1G4.8
2 25.6G1.2 107.1G4.8
NbC(O)–CO2 20.3G0.7 84.9G2.9 CID 1998SIE/ARM
Nb4 CC
4 –OH 119 498 FT ICR 1995YEH/BYU
–OCH3 104 435
NbC–S (1) 127.2G2.4 532G10 Ion reactions (1) 2003ARM

(2) 119.9G4.8 501.7G20.3 (2) 2006KRE/SCH
NbC(O)–S 84.9G7.1 355G30 Derived 2006KRE/SCH
NbC(S)–S O103.8G0.9 O434.2G3.9 Derived 2006KRE/SCH
(continued)
Table 15.2.2 (continued) BDEs of NbC–X Bonds
BDEs (boldfaceZ
recommended data;
NbC–CS (1) 57.8G2.6 242G11 Ion reactions (1) 2000ROD/ARM(b)

(2) 57.9G2.5 242.2G10.6 (2) 2006KRE/SCH
NbC
x –N2
nZ7 !51.4 !215 Ion reactions 1986BRU/PET
8 !51.4 !215
Nb2C–CH2 197G10 824G42 FT-MS 1988GOR/FRE

–C2H2 R74 R310
Nb2C–CHC
2 107G10 448G42 FT-MS 1988GOR/FRE
–C2 HC
2 R7 R29
Nb2C–O w125G7 w523G29 CID 1989LOH/LIA

O119 O498
Nb3C–O O119.2G0.2 O498.7G0.8
Nb2C–O2 O106.1G3.5 O444G15
15.3 Ta– and TaC–X bonds

15.3.1 Ta–X bonds
Table 15.3.1 BDEs of Ta–X Bonds
BDEs (boldfaceZ
recommended data;
Ta–Ta 93G23 390G96 Correlation 1986MOR
Ta(110, surf.)–La 126.8G4.6 531G19.3 TD 1974MED

–Ce 140.7G4.6 589G19.3
–Pr 117.6G4.6 492G19.3

–Nd 108.4G4.6 453G19.3
Ta(110, surf.)–Sm 48.4G6.9 203G29 TD 1974MED

–Eu 41.5G4.6 174G19.3
–Gd 99.2G4.6 415G19.3
–Tb 94.5G9.2 396G39
Ta(110, surf.)–Ho 53.0G4.6 222G19.3 TD 1974MED

–Er 73.8G4.6 309G19.3
–Tm 27.7G4.6 116G19.3
–Lu 103.8G4.6 434G19.3
Ta(110, surf.)–Pd 11.3G0.5 (phys) 47.3G1.9 FIM 1988SCH/KEL
Ta(110, surf.)–Pd 115 481 Review 1995SEE/ALL
Ta(110, surf.)–Hg 12.7G1.4 (phys) 53.1G5.8 FEM 1975BOB/MIR
Ta(121, surf.)–Hg 8.8G1.8 36.7G7.7 FEM 1975BOB/MIR
Ta(211, surf.)–Hg 10.4G1.2 43.4G4.8 FEM 1975BOB/MIR
Ta(111, surf.)–Hg 42 176 Review 1995SEE/ALL
TaS2(surf.)–He 0.2 0.8 HAS 1989BRU/HEI
Ta(F)x–F
xZ0 137G3 573G13 MS 1979LAU/HIL
1 157G3 657G13
2 144G3 602G13
3 130G3 544G13
4 138G3 577G13
(continued)
Table 15.3.1 (continued) BDEs of Ta–X Bonds
BDEs (boldfaceZ
recommended data;
Ta(polycs. surf.)–F 115.3G3.5 482G14 Ion beam 1979BOL/BLA
Ta–Cl 130 544 Est. by exp. 1980BEH/FEB
Ta(polycs. surf.)–Cl (1) 110 460 (1) MS (1) 1975WEB/PHI

(2) 96.9G3.5 405G14 (2) Ion beam (2) 1979BOL/BLA
Ta(polycs. surf.)–Br 62.2G3.5 261G14 Ion beam 1979BOL/BLA
Ta(O)x–O
xZ0 (1) 191G3 799G13 (1) Review (1) 1990SIM/BEA
(2) 200.5 839 (2) Der. from (2) 1996NIST
DfH0 in ref.
1 (2) 153.6 643
Ta–S 160.0G3.2 669.5G13.5 Spectroscopy 2002RED/AHA
Ta–N 145G20 607G84 Review 1974GUR/KAR
Ta(polycr. surf.)–H2 38.0 (phys) 159 Calorimetry 1950BEE/COL
Ta(polycr. surf.)–H2 w82 w343 TDS 1974KO/SCH
Ta(110, surf.)–H2 10 (phys) 42 Est. by exp. 1967FEH/STI
Ta(polycr. surf.)–O2 (1) 211.8 886 (1) Calorimetry (1) 1960BRE/HAY

(2) 200 836 (2) Review (2) 1982RAO/KAM
Ta(surf.)–N2 154.4–168.0 646–703 Calorimetry 1971YAM/OGU(b)
Ta(polycr. surf.)–N2 (1) 137.4 575 (1) Calorimetry (1) 1950BEE/COL

(2) O120 O502 (2) TD (2) 1974KO/SCH
Ta(polycr. surf.)–CO (1) 133.8 560 Calorimetry (1) 1960BRE/HAY(b)

(2) 134 561 (2) 1965BRE/HAY
Ta(polycr. surf.)–CO2 (1) 180 753 (1) Calorimetry (1) 1960BRE/HAY(b)

(2) 168 703 (2) Review (2) Review
Ta(CH3)5–CH3 62.4G1.2 261G5 Review 1994NOL
Ta(polycr. surf.)–C2H4 138 577 Calorimetry 1950BEE/COL
(Me3SiCH2)4Ta– 44G1 184.1G8.4 Calorimetry 1997LUO/LI

(CH2SiMe3)
(Me3SiCH2)TaZ 126G4 527G17 Calorimetry 1997LUO/LI

(CHSiMe3)
15.3.2 TaC–X bonds

Table 15.3.2 BDEs of TaD–X Bonds
BDEs (boldfaceZ
recommended data;
TaC(Ta)x–Ta
xZ0 (1) 159.2 666 (1) CID (1) 1996ARM/KIC
1 (1) 153.9 644
2 (1) 177.8 744
N (2) 186.8 782 (2) Review (2) 1994ARM/HAL
(continued)
Table 15.3.2 (continued) BDEs of TaC–X Bonds
BDEs (boldfaceZ
recommended data;
TaC–Fe (1) 72G5 301G21 (1) Photodissociation 1987HET/FRE

TaC–H 54.9G1.4 230G6 Ion reactions 2002ZHA/RUE
TaC–CH (1) 137.4G2.2 575G9 (1) GIB MS (1) 1999ARM(c)

–CH2 (1) O108.5 O454
(2) O111 O464 (2) FT-ICR (2) 1991IRI/BEA
(3) 115.9G1.2 485G5 (3) PD (3) 2004MET
–CH3 (1) 46.8G0.7 196G3
TaC–C2H4 44 184.1 Review 1998SCH/SCH
TaC–C6H4 91G1 380.7G4.2 TOF MS 2001LEE/LIN
TaC–C6H6 60w72 251w301 FT-MS 1987HET/FRE
TaC(O)x–O
(2) 189 791 (2) Derived (2) 2000DUC/GOE
(3) 181.9 761 (3) Review (3) 2006SCH
1 (1) 140 586
(3) 137.9 577
TaC–O2 201.7 844 Review 2006SCH

chapter sixteen
BDEs of Cr(Cr G )–, Mo(Mo G )–, and

W(WG)–X bonds
16.1 CrK, CrC–, and CrK–X bonds

16.1.1 Cr–X bonds
Table 16.1.1 BDEs of Cr–X Bonds
BDEs (boldfaceZ
recommended data;
Cr–Cr (1) 34.1G1.2 142.9G5 (1) MS (1) 1987HIL/RUT

(2) 40.8 171 (2) Photodisso (2) 1991LES/ASH
(3) 33.7G2.3 141G10 (3) CID (3) 1993SU/HAL
(4) 39.2 163.9 (4) Review (4) 1996SMI/YAT
(5) 36.3G1.4 152.0G6 (5) PI (5) 1998SIM/LEB
Cr(Cr)x–Cr
xZ3 (1) 38.7G3.2 161.9G13.5 (1) Derived (1) 2003KNI
4 (1) 46.8G3.2 195.9G13.5
5 (1) 52.6G3.5 212.0G14.5
6 (1) 57.2G3.9 239.3G16.4
7 (1) 53.5G2.8 223.8G11.6
8 (1) 55.6G3.9 232.5G16.4
9 (1) 57.7G3.9 241.4G16.4
10 (1) 63.4G5.5 265.3G23.2
11 (1) 66.0G5.8 275.9G24.1
12 (1) 69.6G5.8 291.4G24.1
13 (1) 66.4G7.4 277.9G30.9
14 (1) 61.6G7.8 257.6G32.8
15 (1) 64.3G9.0 269.2G37.6
16 (1) 49.6G9.5 207.4G39.6
(continued)
713
Table 16.1.1 (continued) BDEs of Cr–X Bonds
BDEs (boldfaceZ
recommended data;
17 (1) 56.0G8.3 234.5G34.7

18 (1) 71.5G8.5 299.1G35.7
19 (1) 62.3G10.4 260.5G43.4
RCr–CrR bond
RZ(h5-C5H5)(CO)3 (1) 15.8G0.4 66.1G1.7 Equilibrium (1) 1988MCL
(1) 14.8G0.4 61.9G1.7
(2) 21.3G0.7 89.1G2.9 (2) 1991GOH/LIM
(3) 14.7 61.5 (3) 1992WAT/JAE
(4) 14.7 61.5 (4) 1999VOL/CAM
(5) 15.3G0.6 64.0G2.5 (5) 1999WOS/NI
RCr–CrR bond
RZ(h5-C5Me5)(CO)3 (1) 18.3G0.6 76.6G2.5 Equilibrium (1) 1990GOH/KHO
(2) 14.7 61.5 (2) 1992WAT/JAE
(3) 14.7 61.5 (3) 1999VOL/CAM
(4) 14.2G0.4 59.4G1.7 (4) 1999WOS/NI
RCr–CrR bond (1) 18.8G0.4 78.7G1.7 Equilibrium (1) 1991GOH/LIM

RZ(h5-C5H5)(CO)2 (2) 11.7 49.0 (2) 1992WAT/JAE
(P(OMe)3)
RCr–CrR bonds, 16.5 69.0 Equilibrium 1999VOL/CAM

RZFv(CO)3,
FvZfulvalene
RCr–CrR bond
RZ(h5-C5H5)(CO)2(PEt3) !8 !34 Equilibrium 1992WAT/JAE
(h5-C5H5)(CO)2(PPh3) !8 !34
Cr–Nb 70.68G0.01 295.72G Spectrometry 2000SIC/LAN

0.06
BDEs of Cr(CrG)–, Mo(MoG)–, and W(WG)–X Bonds 715
Cr–Fe w18 w75 Spectroscopy 2003LU/ZHA
Cr–Cu (1) 36.9G6 154.4G25.1 (1) MS (1) 1970KAN/STR

(2) 37.8G3.5 158.2G14.5 (2) Review (2) 1986MOR
Cr–Au (1) 50.5G1.5 211.3G6.5 Review (1) 1970DAR

(2) 53.5G6.9 223.7G28.9 (2) 1986MOR
[Cr(CO)3(h5-C5Me5)]2–Hg 14.7 61.5 Equilibrium 1992WAT/JAE

[Cr(CO)3(h5-C5Me5)]–Hg 26.6 111.3
Cr–Al 53.3G0.2 222.9G0.9 Spectrometry 2001FU/RUS
(h5-C5H5)(CO)3Cr–GeMe3 46.7G2.3 195.4G9.6 MS 1971LAP/CAR

–SnMe3 53.5G2.3 223.8G9.6
Cr(CO)5–Xe 9.0G0.9 37.7G3.8 Transient IR 1992WEL/WEI
Cr–H (1) 41.8G3 174.9G12.6 (1) Ion reactions (1) 1983SAL/LAN

(2) 41.2G3 172G13 (2) Ion reactions (2) 1985SAL/LAN
(3) 45.4G1.6 189.9G6.8 (3) GIB MS (3) 1993CHE/CLE
(4) 53.0 221.8 (4) Spectroscopy (4) 1995RAJ/KAR
(CO)2R(h5-C5H5)Cr–H
RZ(PPh3) (1) 59.8G1 250.2G4.2 (1) Calorimetry (1) 1990KIS/ZHA
(2) 59.8 250 (2) Review (2) 2001TIL
(PEt3) (1) 59.9G1 250.6G4.2
(2) 60.0 251
(P(OMe)3) (1) 62.7G1 262.3G4.2
(2) 62.6 262
RCr(CO)3–H
RZ(h5-C5H5) (1) 61.5G1 257.3G4.2 (1) Calorimetry (1) 1990KIS/ZHA
(2) 62 259 (2) Electrochem. (2) 1989TIL/PAK
(continued)
BDEs (boldfaceZ
recommended data;
(3) 61.4 257 (3) Review (3) 2001TIL

(h5-C5Me5) (1) 62.3G1 260.7G4.2
(3) 62.4 261
(h5-C5Ph5) (4) 59.6 249.4 (4) Kinetics (4) 2003TAN/PAP
(L)Cr(CO)3–H
LZhydridotris(pyrazol)- !51.4 !215 Electrochem. 1999TIL
borate
Zhydridotris(3,5- !50.7 !212
dimethylpyrazolyl)
borate
Cr(polycs. surf.)–H 75 314 Review 1979TOY/SOM
Cr–F (1) 106.4G3.5 445.2G14.5 MS (1) 1965KEN/MAR

(2) 125.0G4.6 523G19 (2) 1991BOL/BOR
Cr–Cl 90.3G1.6 377.8G6.7 MS 1995HIL
Cr–Br 78.4G5.8 328.0G24.3 Review 1968GAY
Cr–I 68.6G5.8 287.0G24.3 Review 1968GAY
Cr(O)x–O (1) 110.9G2 464G8 (1) Ion beam (1) 1986KAN/BEA(b)

xZ0 (2) 110.2G2.1 461G8.7 (2) Mol. beam (2) 1996HED/NAU
(3) 104.4G1.4 437G6 (3) Review (3) 1996ARM/KIC
(4) 109.6 459 (4) Der. from (4) 1998CHA
DfH0 in ref.
(5) 100.9G2.1 422.2G8.7 (5) Spectros- (5) 1999RED/AHA
copy
1 (4) 122.6 513
2 (4) 111.6 467
Cr–S 79 331 MS 1967DRO/PAT
Cr–N 90.3G4.5 377.8G18.8 MS 1973SRI/FAR
Cr–Ge (1) 39.6G7 165.7G29.3 MS (1) 1968KAN/STR

(2) 36.8G1.7 154G7 (2) 1989KIL/RUT
Cr–Sn 33.7G0.6 141G3 MS 1989KIL/RUT
Cr–Pb 25.1G0.5 105G2 MS 1989KIL/RUT
Cr(CO)5–H2 (1) 15.0G1.3 62.8G5.4 (1) Kinetics (1) 1994WEL/HOU

(2) 18.6G1 78G4 (2) PAC (2) 1995WAL/POP
(P(C6H11)3)2(CO)3Cr–H2 7.3G0.1 30.5G0.4 Calorimetry 1991ZHA/GON
(h6-C6H6)(CO)3Cr–H2 60G4 251G17 PAC 1996WAL/GEO
Cr(polycr. surf.)–H2 w45 w188 Calorimetry 1950BEE/COL
Cr–O2 113G13 473G54 Kinetics 1990PAR/MIT
Cr(O)5–O2 30.7G3.5 128G15 CID 1992HOP/MCM
Cr(polycr. surf.)–O2 (1) 173.8 727 (1) Calorimetry (1) 1960BRE/HAY

(2) 180 752 (2) Review (2) 1982RAO/KAM
Cr(CO)5–N2 19.4G1 81G4 PAC 1995WAL/POP
(continued)
BDEs (boldfaceZ
recommended data;
(P(C6H11)3)2(CO)3Cr–N2 9.3G0.2 38.9G0.8 Calorimetry 1991ZHA/GON
(h6-C6H6)(CO)3Cr–N2 66G4 276G17 PAC 1996WAL/GEO
(h5-C5Me5)(CO)3Cr–NO w70 w293 Derived 1999CAP/BAU
Cr–OH (1) 89.1G3.3 372.7G14 Derived (1) 1990GOR/MIL

(2) 90 377 (2) 1994HIL/LAU(b)
Cr–OD 90.2G3.3 377.2G14 Derived 1990GOR/MIL
(CrO)–H 83.5G3.5 349.4G14.6 Derived This volume
(h5-C5Me5)(CO)3Cr–SH 46 193 Derived 1999BAU/CAP
Cr(CO)3–CO (1) 20G15 84G63 (1) Mol. beam (1) 1990VEN/HOU

(2) 39 163 (2) LP (2) 1991RAY/ISH
Cr(CO)4–CO (1) 25G5 104.6G21 (1) Kinetics (1) 1988FLE/ROS

(2) 40G15 167G63 (2) Mol. beam (2) 1990VEN/HOU
(3) w37 w155 (3) LP (3) 1990ISH/BRO
(4) 33 138 (4) LP (4) 1991RAY/ISH
Cr(CO)5–CO (1) 37G5 154.8G21 (1) PAC (1) 1983BER/SIM

(2) 36.8G2 154.0G8.4 (2) LP (2) 1984LEW/GOL
(3) 27.0 113.0 (3) PAC (3) 1986YAN/PET
(h5-C5H5)Cr(CO)2–CO w45 w188 Derived 1992BUR
Cr2O3(polycs. surf.)–CO 28 117 Review 1964HAY/TRA

Cr(CO)5–CS 58.2G4 244G17 MS 1980MIC/FLE
Cr–C2 107.8 451 Review 1990SIM/BEA
Cr(polycr. surf.)–CO2 (1) 81 339 (1) Review (1) 1964HAY/TRA

(2) 115 481 (2) Calorimetry (2) 1996VER
Cr–CH3 (1) 37.9G2 158.6G8.4 GIB MS (1) 1992FIS/ARM

(2) 33.4G1.6 140G7 (2) 1996ARM/KIC
Cr(CO)5–CH4 w8G2 w33.5G8 Kinetics 1994WEL/HOU
(h5-C5Me5)(CO)3
Cr–S(alkyl) 43G3 180G13 Derived 1997JU/CAP
–S(aryl) 35G3 146G13
Cr(CO)5–CCl4 19.5 81.6 Derived 1992BUR
Cr(CO)5–CH3CN (1) 28.2 118.0 (1) Review (1) 1992HOF

(2) 21.6 90.4 (2) PAC (2) 1986YAN/PET
(3) 31.2G2.4 130.5G10 (3) PAC (3) 2000FAR/BUR
Cr(CO)5–C2H4 (1) 24.7G2.4 103.3G10.0 Kinetics (1) 1994WEL/HOU

(2) 25.1G1 105G4 (2) 1994MCN/BEC
(3) 24.0G0.3 100.4G1.3 (3) 1995MCN/TOW
Cr(polycr. surf.)–C2H4 w100.9 w422 Calorimetry 1950BEE/COL
Cr(CO)5–C2F4 19.7G1.4 82.4G5.9 Kinetics 1994WEL/HOU
Cr(CO)5–C2Cl4 12.8G1.6 53.6G6.7 IR 2001CED/WEI
(continued)
BDEs (boldfaceZ
recommended data;
Cr(CO)5–C3H6 24.2G0.3 101.3G1.3 Kinetics 1995MCN/TOW

–1-C4H8 24.2G0.3 101.3G1.3
–cis-2-C4H8 24.8G0.3 103.8G1.3
–trans-2-C4H8 24.6G0.3 102.9G1.3
–i-C4H8 24.1G0.3 100.8G1.3
–2-Me-2-C4H8 24.5G0.4 102.5G1.7
Cr(CO)5–CH2ClCH2Cl 15.6 65.3 Derived 1992BUR
Cr(CO)5–CH3C(O)CH3 23.5 98.3 Review 1992HOF
Cr(CO)5–THF (1) 18.2 76.1 (1) PAC (1) 1986YAN/PET

(2) 22.4 93.7 (2) Review (2) 1992HOF
–2,2-dimethy-THF (2) 20.8 87.0
THFZtetrahydrofuran
Cr(CO)5–nC5H12 8.9G3.2 37.2G13.4 PAC 1989MOR/PAR
Cr(CO)5–(Me2CCMe2) 19.6 82.0 Review 1992HOF
Cr(CO)5–(tBuCHaCH2) 20.1G1.7 84.1G7.1 IR 2002CED/WEI
Cr(CO)5–1-C6H12 22.2 92.9 Review 1992HOF
Cr(CO)5–nC7H16 (1) 9.6G2.3 40.2G9.6 (1) PAC (1) 1989MOR/PAR

(2) 11.6 48.5 (2) Derived (2) 1992BUR
(3) 13.6G1 57G4 (3) PAC (3) 1995WAL/POP
(4) 9.8G2.2 41.0G9.2 (4) PAC (4) 2000FAR/BUR
(h5-C5H5)Cr(CO)2–nC7H16 12 50 Derived 1992BUR
(h6-C6H6)(CO)3Cr–nC7H16 (1) 44 184 PAC (1) 1995WAL/POP

(2) 45 188 (2) 1996WAL/GEO
Cr(CO)5–nC6H14 10.8 45.2 Derived 1992BUR
Cr(CO)5–c-C6H12 12.6G2.1 52.7G8.8 PAC 1989MOR/PAR

–i-C8H18 11.0G2.1 46.0G8.8
Cr(CO)5–cis-cycloocten 24.3 101.7 Review 1992HOF

–trans-cycloocten 29.5 123.4
Cr(CO)5–n-butylamine 30.6 128.0 Derived 1992BUR

–di-n-butylamine 26.7 111.7
–tri-n-butylamine 22.3 93.3
Cr(CO)5–piperidine (1) 34.8 145.6 Derived (1) 1984LEW/GOL

(2) 26.6 111.3 (2) 1992BUR
Cr(CO)5–pyridine 30.1 125.9 Derived 1984LEW/GOL
(P(C6H11)3)2(CO)3 11.2G1.6 46.9G6.7 Calorimetry 1991ZHA/GON

Cr–pyridine
Cr(CO)5–2-picoline 27.8 116.3 Review 1992HOF

–2,6-lutidine 25.5 106.7
–PBu3 31.6 132.2
Cr(CO)5–pyrazine 20.8 87.0 Review 1992HOF

–pyrazole 35.8 149.8
Cr(CO)5–HSiEt3 22.3 93.3 Derived 1992BUR

(h5-C6H6)Cr(CO)2–HSiEt3 28.0 117.2
(continued)
BDEs (boldfaceZ
recommended data;
Cr(C6H6)x–C6H6
xZ0 (1) 1.4G3.7 5.8G15.4 PES (1) 2002LI/BEA(b)
(2) 2.3G1.4 9.6G5.8 (2) 2002LI/MCG
1 (1) 64.1G3.7 268.2G15.4
Cr(CO)3–C6H6 59.5G10 249.0G42 Derived from 1996NIST

DfH0 in ref.
Cr(CO)5–C6H6 (1) 9.4G1 39.3G4 (1) Kinetics (1) 1990ZHA/DOB

(2) 15.0 62.8 (2) Derived (2) 1992BUR
(2) 9.2G0.8 38.5G3.3 (3) IR (3) 1993WAN/ZHE
(4) 13.7G0.8 57.3G3.3 (4) Kinetics (4) 1994WEL/HOU
(5) O11.4 O47.7G4.6 (5) Kinetics (5) 2003BEN/STU
G1.1
–C6F6 (4) %8 %34
(C6H6)Cr(CO)2–C6H6 O11.5G0.9 48.1G3.8 LF photolysis 2005BEN/GRU
Cr(CO)5–CF3C6H5 14.1 59.0 Derived 1992BUR
Cr(CO)3–CH3C6H5 59.5G10 249G42 Derived from 1996NIST

DfH0 in ref.
–C6(CH3)6 59.5G10 249G42
–CH3OC6H5 56.8G10 238G42
–N(CH3)2C6H5 60.4G10 253G42
–CH3C(O)C6H5 49.3G10 206G42
–CH3OC(O)C6H5 39.8G10 167G42
–C6H5Cl 55.8G10 233G42
Cr(CO)3–pyridine 30.0G3.5 125.5G14.6 Derived from 1996NIST

DfH0 in ref.
(CO)3(h5-C5Me5)Cr–SPh (1) 35 146 Derived (1) 1997JU/CAP

(2) 38G3 159G13 (2) 2005MCD/WEI
(CO)3(h5-C5Me5)Cr–SePh 36G3 151G13 Derived 2005MCD/WEI

–TePh 31G3 130G13
Cr(CO)5–P(Bu)3 21.6 90.4 PAC 1986YAN/PET
(P(C6H11)3)2(CO)3 16.4G0.6 68.6G2.5 Calorimetry 1991ZHA/GON

Cr–P(OMe3)3
16.1.2 CrC–X bonds

Table 16.1.2 BDEs of CrD–X Bonds
BDEs (boldfaceZ
recommended data;
CrC–Cr (1) 36.9G4.6 154.4G19 (1) FT-ICR (1) 1989HOU/TUL

(2) 49.1 205.4 (2) PD (2) 1991LES/ASH
(3) 42.4 177.4 (3) Review (3) 1996SMI/YAT
(4) 30.8 129 (4) Review (4) 2001ARM
CrC(Cr)x–Cr
xZ1 (1) 46.4 194 (1) Review (1) 2001ARM
2 (1) 24.0 100
3 (1) 51.4 215
4 (1) 40.9 171
5 (1) 58.8 246
6 (1) 51.9 217
7 (1) 59.3 248
8 (1) 55.4 232
9 (1) 59.3 248
10 (1) 61.7 258
11 (1) 69.1 289
12 (1) 70.3 294
13 (1) 63.8 267
(continued)
Table 16.1.2 (continued) BDEs of CrC–X Bonds
BDEs (boldfaceZ
recommended data;
14 (1) 67.3 282

15 (1) 65.3 273
16 (1) 49.6 208
17 (1) 55.6 233
18 (1) 69.1 289
19 (1) 60.4 253
N (2) 94.5 395 (2) Review (2) 1994ARM/HAL
CrC–Fe 50G7 209G29 PD 1987HET/FRE
CrC–He 1.87G0.1 7.8G0.4 Equilibrium 1991KEM/HSU

–Ne 2.27G0.1 9.5G0.4
CrC(Ne)–Ne 1.8G0.2 7.5G0.8 Equilibrium 1991KEM/HSU
CrC–Ar (1) 7.44G0.4 31.1G1.7 (1) Equilibrium (1) 1991KEM/HSU

(2) 7.58G0.9 31.7G3.9 (2) PD (2) 1991LES/ASH(b)
CrC–Xe 17.2G2.4 71.9G10.0 CID 1993KHA/CLE
CrC–H (1) 32.5G2.1 136G9 (1) GIB MS (1) 1987ELK/ARM

(2) 27.7G2 116G8 (2) Review (2) 1987SCH/GOD
(CrO)C–H 89G5 372G21 Ion reactions 1986KAN/BEA
CrC(Cr)x–D
xZ0 32.3G2.1 135G9 Ion reactions 2000CON/LIY
1 66.0G3.7 276G15
2 41.7G4.6 175G19
3 49.5G4.2 207G17
4 46.4G8.5 194G36
5 53.3G6.9 223G29
6 49.3G7.3 206G31
7 56.2G6.5 235G27
8 54.4G6.9 228G29
9 60.2G9.9 252G42
10 57.0G9.0 238G38
11 58.1G8.8 243G37
12 65.5G8.5 274G36
13 63.0G10.4 263G43
DCrC(Cr)x–D
xZ8 O50.1G7.6 O210G32 Ion reactions 2000CON/LIY
9 O38.3G9.9 O160G41
10 O40.8G9.0 O171G38
11 O35.1G8.8 O147G37
12 O34.1G8.5 O143G36
13 O36.0G10.4 O151G43
(CO)6CrC–H (1) 58G3 243G13 (1) Thermochem. (1) 1981STE/BEA

(2) 55G2.4 230G10 (2) Review (2) 1990SIM/BEA
(L)(CO)2CrC–H
LZ(h5-C5H5)(CH3)(CO) (1) 61G4 255.2G17 (1) Thermochem. (1) 1981STE/BEA
(2) 58.3G5.3 244G22 (2) Review (2) 1990SIM/BEA
(h5-C5H5)(NO) (1) 52G3 217.6G13
(2) 49.5G3.3 207.1G14
(C6H5CH3)(CO) (1) 56G4 234.3G17
(2) 52.8G3.6 220.9G15
(CO)2(dppm)CrC–H 56.0 234.3 Electrochemical 1996WAN/ANG

dppmZPh2PCH2PPh2
CrC–F 67G10 279G42 Derived from IP 1996NIST

in ref.
(continued)
BDEs (boldfaceZ
recommended data;
CrC–Cl O50.5 O211 GIB MS 1989STR/RID
CrC–C 66.2G5.8 277G24 PI 1999QI/SHE
(CrS)C–C 66.9G6.9 280G29 CID 2001RUE/ARM(b)
CrC(H2)x–H2
xZ0 7.6G0.5 31.8G2.1 Equilibrium 1997KEM/WEI
1 8.9G0.5 37.2G2.1
2 4.7G0.4 19.7G1.7
3 3.4G0.4 14.2G1.7
4 1.4G0.4 5.9G1.7
5 1.3G0.4 5.4G1.7
CrC–CH (1) 75G8 314G33 GIB MS (1) 1989GEO/ARM

(2) 70G7 294G29 (2) 1996ARM/KIC
–CH2 (1) 53.8G1.9 225G7.9
(2) 51.6G0.9 216G4
–CH3 (1) 30.2G2.3 126.4G9.6
(2) 26.2G0.9 110G4
(3) 30.3G1.7 126.8G7.1 (3) 1992FIS/ARM
CrC–C2H2 (1) 44G5 184G21 GIB MS (1) 1996ARM/KIC

–C2H3 (1) 54.1G1.4 226G6
(2) 59.0G2.3 246.9G9.5 (2) 1992FIS/ARM
–CHCH3 (1) 43.0G1.8 180G8
(2) 52G3 218G13
–C2H5 (1) 30.6G1.2 128G5
(2) 35.0G2.1 146.4G8.8
CrC(C2H4)x–C2H4
xZ0 (1) R30G5 R126G21 Ion reactions (1) 1996ARM/KIC
(2) 22.9G2.5 96G11 (2) 1998SIE/JAR
1 (2) 25.8G2.6 108G11
CrðCOÞC
6 –C2 H4 14.3G1.2 59.8G5.0 HP MS 1991HOP/MCM
CrC–C3H4 (1) 42G2 175.7G8.4 GIB MS (1) 1992FIS/ARM

(2) 33.6G1.6 141G7 (2) 1996ARM/KIC
–C(CH3)2 (1) 39G3 163G13
(2) 29.6G2.1 124G9
–CHCH2CH3 (1) 36G3 151G13
(2) 27.0G2.5 113G10
–n-C3H7 (1) 32.1G1.4 134.3G5.9
(2) 27.5G1.4 115G6
–i-C3H7 (1) 28.5G1.3 119.2G5.4
(2) 24.1G1.2 101G5
CrC(OH)–1-C4H8 75.2G4.8 314.5G20.3 CID 2005HAN/ICH
CrC(C6H6)x–C6H6
xZ0 (1) 40.4G2.3 169G10 (1) FT-ICR (1) 1997LIN/CHE(b)
(2) 39.2G3.5 164G14.5 (2) FT-ICR (2) 1997LIN/DUN
(3) 44.5 186.2 (3) FT-ICR (3) 1999RYZ/YAN
(4) 40.6G2.4 170G10 (4) GIB MS (4) 2000ROD/ARM(b)
(5) 40.1G1.2 167.9G4.8 (5) PES (5) 2002LI/MCG
1 (2) 50.7G9.2 212G39
(4) 55.4G4.4 232G18
(6) 57.9G3.5 242.2G14.5 (6) PES (6) 2002LI/BEA(b)
Cr + ( )
Y
YZF (1) 36.2G2.7 151G11 Kinetics (1) 1998SCH/WES

(2) 39.1 163.6 (2) 1999RYZ/YAN
1,2-difluoro (2) 32.9 137.7
1,3-difluoro (2) 32.0 133.9
1,4-difluoro (2) 29.0 121.3
1,2,3-trifluoro (2) 29.3 122.6
1,2,4-trifluoro (2) 29.9 125.1
1,3,5-trifluoro (2) 26.3 110.0
1,2,3,4-tetrafluoro (2) 25.4 106.3
1,2,3,5-tetrafluoro (2) 24.6 102.9
1,2,4,5-tetrafluoro (2) 26.6 111.3
Pentafluoro (2) 23.6 98.7
Hexafluoro (2) 19.0 79.5
(continued)
BDEs (boldfaceZ
recommended data;
CrC–toluene (1) 42.2G3.5 176.6G14.5 Kinetics (1) 1997LIN/DUN

(2) 42.6G2.4 178G10 (2) 1998SCH/WES
CrC(L)x–L, LZp-xylene
xZ0 (1) 43.1G4.6 180.4G19 Kinetics (1) 1997LIN/DUN
(2) 44.3G2.5 185G10 (2) 1998SCH/WES
1 (1) 50.7G6.9 212G29
CrC(L)x–L, LZmesitylene
xZ0 (1) 46.1G6.9 193G29 Kinetics (1) 1997LIN/DUN
1 (2) 45.9G2.6 192G11 (2) 1998SCH/WES
Cr + ( )
Y
YZEt 43.5G2.4 182G10 Kinetics 1998SCH/WES

1,2-dimethyl 44.3G2.5 185G10
1,3-dimethyl 44.3G2.5 185G10
1,2,4-trimethyl 45.7G2.6 191G11
1,2,4,5-tetramethyl 47.1G2.7 197G11
Pentamethyl 48.2G2.7 202G11
Hexamethyl 49.0G2.8 205G12
Cr + ( )
Y
YZCl (1) 37.1G2.9 155G11 (1) Kinetics (1) 1998SCH/WES

OH (1) 41.0G2.5 172G10
(2) 43G4 179.9G16.7 (2) Combined (2) 1999RYZ/DUN
NH2 (1) 44.8G2.9 184G12
CN (1) 47.0G3.2 197G13
1-F-2-methyl (1) 38.8G2.5 162G10
1-F-3-methyl (1) 38.5G2.5 161G10
1-F-4-methyl (1) 38.5G2.7 161G10
CrC–indole 47G4 196.6G16.7 Combined 1999RYZ/DUN
CrC–O (1) 40–119 167–498 (1) ICR (1) 1981KAP/STA

(2) 85.8 359 (2) Review (2) 2001ARM
CrC(Cr)x–O
xZ1 129.5 542 Review 2001ARM
2 139.6 584
3 159.9 669
4 147.0 615
5 147.9 619
6 148.7 622
7 155.8 652
8 150.1 628
9 154.9 648
10 149.1 624
11 151.1 632
12 156.8 656
13 146.0 611
14 145.8 610
15 137.9 577
16 122.4 512
CrC(O)–O (1) 83G2 347G8 (1) Ion reactions (1) 1982ARM/HAL

(2) 77 322 (2) Derived (2) 1991IRI/BEA
(3) 66 276 (3) Ion reactions (3) 1996FIE/KRE
CrC
x –2O
xZ2 267.4 1119 Review 2001ARM
3 278.9 1167
4 313.6 1312
5 309.0 1293
6 325.0 1360
7 320.5 1341
8 316.0 1322
9 313.6 1312
10 297.6 1245
11 302.1 1264
12 304.5 1274
13 306.6 1283
14 283.7 1187
15 269.8 1129
(continued)
BDEs (boldfaceZ
recommended data;
CrC(C)–CO 34.6G9.2 145G39 TOF MS 1997QI/YAN
CrC(CO)x–CO
xZ0 (1) 30.7 128.3 (1) MS (1) 1980MIC/FLE
(2) 21.9G0.9 91.7G3.9 (2) CID (2) 1993KHA/CLE
(3) 21.4G1.4 89.7G5.8 (3) PI (3) 1997QI/YAN(b)
(4) O10.8 O45.3 (4) PIE (4) 1997CHE/LIA
1 (1) 35.1 146.7
(2) 22.6G0.7 94.6G2.9
(3) 44.3G1.4 185.2G5.8
(4) %30.0G %125.4G
3.9 16.4
2 (1) 26.7 111.9
(2) 13.6G1.4 56.9G5.8
(3) 15.0G1.2 62.7G4.8
(4) 16.1G3.2 67.5G13.5
3 (1) 20.8 86.8
(2) 13.6G1.4 56.9G5.8
(3) 17.8G0.9 74.3G3.9
(4) 16.1G2.3 67.5G9.6
4 (1) 13.8 57.9
(2) 15.2G0.7 63.7G2.9
(3) 12.9G0.7 54.0G2.9
(4) 12.2G13.8 51.2G57.9
5 (1) 33.0 138.0
(2) 32.3G1.8 135.1G7.7
(3) 27.4G0.5 114.8G1.9
(4) 32.1G2.1 134.1G4.8
(5) 33.0G2.1 138.0G8.7 (5) CID (5) 2001MUN/ARM
(C5H5)(GeMe3)CrC
(CO)x–CO
xZ0 24.0 100.3 MS 1971CAR/KEP
1 9.2 38.6
2 30.9 129.3
(C6H6)CrC(CO)x–CO
xZ0 24.0G1.2 100.3G4.8 PES 2002LI/MCG
1 13.8G1.2 57.9G4.8
2 23.8G1.2 99.4G4.8
CrC–OH (1) 73G5 305G21 Ion reactions (1) 1986KAN/BEA

(2) 73G5 305G21 (2) 1989MAG/DAV
(3) 74.3 311 (3) 1989MAG/DAV(b)
(4) 71.3G3.3 298G14 (4) 1996ARM/KIC
CrC(H2O)x–H2O
xZ0 (1) 21.9 91.6 CID (1) 1989MAR/SQU
(2) 29.0 121.3 (2) 1989MAG/DAV(b)
(3) 31.7G2.1 132.6G8.8 (3) 1994DAL/HON
1 (1) 29.5 123.4
(3) 34.0G1.8 142.3G7.5
2 (3) 12.1G1.2 50.6G5.0
3 (3) 12.1G1.4 50.6G5.8
CrC–OC(CH3)2 42.0G3.5 176G14 FT-ICR 1997LIN/CHE

–OC(CD3)2 37.4G3.5 156G14
CrC–furan 27 113 FT-ICR 2004GRI/MAN
CrC–S 61.8G3.9 258.6G16.4 CID 2001RUE/ARM
CrC–CS 39.0G1.4 163.1G5.8 CID 2001RUE/ARM(b)
CrC–N2 14.1G0.9 59G4 Photodisso. 1991LES/ASH(b)
CrC–NH2 65.1G2.3 272G10 Review 1996ARM/KIC
CrC(NH3)x–NH3
xZ0 (1) 37 154.8 CID (1) 1989MAR/SQU
(2) 43.7G2.4 183G10 (2) 1998WAL/ARM
1 (1) 40.8 170.7
(continued)
BDEs (boldfaceZ
recommended data;
(2) 42.8G2.2 179G9

2 (2) 12.9G1.4 54G6
3 (2) 7.2G2.2 30G9
CrC–pyridine 47.4G2.7 198.4G11.3 CID 2000ROD/STA

CrC(L)x–L, LZpyrrole
1 34.9 146.0
CrC–adenine 56.0G1.9 234G8 CID 2002ROD/ARM
CrC–imidazole 52.5G1.3 219.8G5.5 CID 2004RAN/AMU
CrC–Si 48.4G3.7 203G15 CID 1994KIC/ARM

–SiH 23.5G6.7 98G28
–SiH2 22.8G3.2 95G13
–SiH3 18.0G4.1 75G17
CrC2(CO)x–CO
xZ0 79.8G5.8 334G24 PI 1997QI/YAN(b)
1 69.2G12.7 290G53
2 41.5G10.4 174G43
(C5H5)CrC(CO)3–GeMe3 29.3 122.5 MS 1971CAR/KEP

16.1.3 CrK–X bonds

Table 16.1.3 BDEs of CrL–X Bonds
BDEs (boldfaceZ
recommended data;
CrK–Cr 4.8G0.2 20.1G1.0 PES 1993CAS/LEO
CrK–H 50.9G3.8 213G16 Derived 1991ARM/SUN
CrK(CO)5–Cl 79.2 331.4 Kinetics 1989JON/MCD

–Br 70.6 295.4
–I 57.2 239.3
CrK(O)x–O
xZ0 144.9G8 606G33 Derived from 1996NIST
DfH0 in ref.
1 105.7G9 442G37
2 166.2G9 695G37
3 69G10 289G37
CrK(O)5–O2 30.7G3.5 128.3G14.6 CID 1992HOP/MCM
CrK(CO)x–CO
xZ0 (1) 20 83.7 (1) Neg. ion (1) 1965PIG/FOF
resonance
1 (1) 35 146.4
2 (1) 35 146.4
(2) 44.7G2.8 187.0G11.7 (2) CID (2) 1992SUN/SQU
(3) 43.9G3.9 184G16 (3) CID (3) 1993SUN/WAN
3 (1) 55 230.1
(2) 42.2G4.2 176.6G17.6
(3) 39.7G3.9 166G16
4 (1) R12 R50
(2) 43.6G2.5 182.4G10.5
(3) 40.6G3.5 170G15
(4) 44.7G3.5 187.0G14.6 (4) FTICR (4) 1992HOP/MCM
(continued)
Table 16.1.3 (continued) BDEs of CrK–X Bonds
BDEs (boldfaceZ
recommended data;
(L)(CO)3CrK–CO
LZO 38.0G3.5 159G15 CID 1992HOP/MCM
(CO)2 44.7G3.5 187G15
(h5-C5H5)CrK(CO)2–CO 47.8G4.3 200G18 CID 1999SUN/SQU
CrK(CO)5–CHO (1) %35.1 %147 Review (1) 1990SIM/BEA

(2) %32 %134 (2) 2004DAM
CrK(CO)3(O)2–(CO)2 28.1G2.3 117.6G10 CID 1992HOP/MCM
16.2 MoK, MoC–, and MoK–X bonds

16.2.1 Mo–X bonds
Table 16.2.1 BDEs of Mo–X Bonds
BDEs (boldfaceZ
recommended data;
Mo–Mo (1) 97G5 406G21 (1) MS (1) 1978GUP/ATK

(2) 95.4 399.3 (2) Review (2) 1996SMI/YAT
(3) 104.1G0.2 435.5G1.0 (3) PI (3) 1998SIM/LEB
R(CO)3Mo–Mo(CO)3R
RZO–i–Pr (1) w44 w184 Derived (1) 1981CAV/CON
h5-C5H5 (2) 32.5G0.5 136G2 (2) 1986NOL/VEG
(MoO3)–MoO3 110G10 460G42 Review 1967DRO/GOL
Mo–Mo bond in 12.4G1.9 52G8 Calorimetry 2003PRO/DEM

[Mo2(m-OH)2]4C
Mo(polysc. surf.)–Li 72.4 303.0 TDS 1971SCH/KLE

–Na 60.0 250.9
–K 58.3 244.1
–Rb 53.3 222.9
–Cs 48.4 202.6
Mo(100, surf.)–Ba 95.6 400 FIM 1972BON/KON
Mo(110, surf.)–Ba 16 (phys) 67 Review 1995SEE/ALL
Mo(110, surf.)–Ba (1) 87.5 366 (1) FIM (1) 1972BON/KON

(2) 115 481 (2) Review (2) 1995SEE/ALL
Mo–Nb 108G6 452G25 Review 1986MOR
Mo(110, surf.)–Fe 2.3G1.2 (phys) 9.6G4.8 PLD 2003JUB/FRU
Mo(110, surf.)–Rh 14.3G1.4 (phys) 60G6 FIM 1990DHA/BAS
Mo(110, surf.)–Rh 140 586 Review 1995SEE/ALL
Mo(110, surf.)–Rh2 15.0 62.7 FIM 1990DHA/BAS
Mo(polysc. surf.)–Cu 12.5 (phys) 52 SIE 1970ABR/SLE
Mo(polysc. surf.)–Cu 92 385 Review 1995SEE/ALL
Mo(polysc. surf.)–Ag (1) 35 146 TDS (1) 1958PTU

(2) 43.8G6.9 183.3G28.9 (2) 1963GOE/PEA
Mo(polysc. surf.)–Au 96.9G4.6 405.2G19.3 Radio 1963GOE/LUC
(continued)
Table 16.2.1 (continued) BDEs of Mo–X Bonds
BDEs (boldfaceZ
recommended data;
Mo(polysc. surf.)–Hg 44.3G4.2 185.2G17.4 TDS 1968SWA/STR
Mo(110, surf.)–Ga 5.8 (phys) 24.1 FIM 1994SAA
Mo(110, surf.)–Ga 60 251 Review 1995SEE/ALL
Mo(110, surf.)–In 6.9 (phys) 28.9 FIM 1994SAA
(h5-C5H5)(CO)3Mo–
GeMe3 60.0 250.9 Derived 1991CAR/KEP
–SnMe3 71.0 297.2
Mo(110, surf.)–Sn 11.5 (phys) 48.2 FIM 1994SAA
Mo(100, surf.)–Pb 80.2 335.4 Calorimetry 1997STU/STA
Mo(CO)5–Xe 8.0G1.0 33.5G4.2 Transient IR 1992WEL/WEI
Mo–H (1) 46.0G3 193G13 Ion reactions (1) 1985SAL/LAN

(2) 53G5 222G21 (2) 1986TOL/BEA
(3) 50.4G4.5 211G19 (3) 1991ARM/SUN
Mo(polycs. surf.)–H 14.8G0.2 (phys) 61.9G0.8 Kinetics 1981PIC
Mo(100, surf.)–H 66 276 Review 1991BEN
Mo(110, surf.)–H 34 142.3 FDMS 1972MAH/SCH

(L)Mo(CO)3–H
LZ(h5-C5H5) (1) 66G8 276G34 (1) Calorimetry (1) 1985HOF
(2) 67.4G1.4 282.0G6 (2) Review (2) 1990SIM/BEA
(3) 69.2 289.5 (3) Electrochem. (3) 1991PAR/HAN
(4) 65.2G2.2 272.8G9.2 (4) Review (4) 1994NOL
(5) 69.3 290 (5) Review (5) 2001TIL
(h5-C5Me5) (3) 68.5 286.6
(4) 69 289
(5) 68.6 287
(6) 70 293 (6) Electrochem. (6) 1991EIS/LAW
(7) 66 276 (7) Derived (7) 1992HOF
(L)Mo(CO)3–H
LZhydridotris(pyrazol)- 62.1 260 Electrochemical 1993SKA/TIL
borate
hydridotris(3,5-dimethyl- 59.3 248
pyrazolyl)borate
Mo(H)x(h5–C5H5)2–H
1 (1) 64.1 268
(3) 61.4G2.0 256.9G8.4 (3) Review (3) 1994NOL
Mo(F)x–F
xZ0 111 464 MS 1976HIL
1 124 519
2 120 502
3 105 439
4 88 368
5 94 392
Mo(polycs. surf.)–F (1) 107 449 (1) MS (1) 1972SCH/KLE

Mo(100, surf.)–F 106.1G2.3 443.8G9.6 Ion beam 1981BOL/BLA
Mo(110, surf.)–F 106.1G2.3 443.8G9.6 Ion beam 1983BOL/BLA
(continued)
BDEs (boldfaceZ
recommended data;
Mo(111, surf.)–F w107.2 w449 Ion beam 1981BOL/BLA
Mo(Cl)x–Cl
5 27.0 113 DfH0 in ref.
Mo(Cl)x(h5-C5H5)2–Cl
1 88.2 369
Mo(CO)3(h5-C5H5)–Cl 72.4G0.9 302.9G3.8 Derived 1986NOL/VEG
Mo(polycs. surf.)–Cl (1) 95 397 (1) MS (1) 1972SCH/KLE

Mo(100, surf.)–Cl 95 397 Review 1974ERT
Mo(110, surf.)–Cl w95.7 400 Ion beam (2) 1981BOL/BLA
Mo(111, surf.)–Cl w95.7 400 Ion beam 1981BOL/BLA
Mo(Br)x–Br
xZ0 74.9 313.4 Derived from 1996NIST
1 96.0 401.7 DfH0 in ref.
2 68.7 287.4
3 65.6 274.5
Mo(CO)3(h5-C5H5)–Br 60.5G2.0 253.1G8.4 Derived 1986NOL/VEG

Mo(polycs. surf.)–Br (1) 85 357 (1) MS (1) 1972SCH/KLE

Mo(100, surf.)–Br w84.1 w352 Ion beam 1981BOL/BLA
Mo(111, surf.)–Br w84.1 w352 Ion beam 1981BOL/BLA
Mo(I)x–I
xZ0 63.8 266.9 Derived from 1996NIST
1 83.1 347.7 DfH0 in ref.
2 43.4 181.6
3 39.4 164.8
Mo(CO)3(h5-C5H5)–I 51.8G1.0 216.7G4.2 Derived 1986NOL/VEG
Mo(polycs. surf.)–I 73 304 MS 1972SCH/KLE
Mo(O)x–O
DfH0 in ref.
(3) 120 502 (3) ICR (3) 2002GON/FIA
1 (1) 135.9G8.6 568.5G35.8
(3) 158 661
2 (1) 140.4G5.8 587.3G24.4
(3) 143 598
O3MoMo(O2)–O 104 435 ICR 2002GON/FIA

(O3Mo)2Mo(O2)–O 53 222
(Et2NCS2)2Mo–O 96.0 401.7 Calorimetry 1977WAT/MCD

2(Et2NCS2)2Mo–O 101.0 422.6
Mo(100, surf.)–O 17 (phys) 71 FEM 1993SON/GOM
(continued)
BDEs (boldfaceZ
recommended data;
Mo(100, surf.)–O 118 494 TD 1969VAS/PTU
(h5-C5Me5)2Mo–O 65 272 Derived 1998LUO/LAN

(h5-C5Me5)2MoaO 111 464
Mo(100, surf.)–O 117.6 492 TD 1968VAS/PTU
(NRAr)3Mo–N 155.3G3.3 649.8G13.8 Derived 2001CHE/JOH

RZt-Bu or C(CD3)2CH3
Mo(100, surf.)–N 156 653 Review 1991BEN

Mo(110, surf.)–N 153 640
(ArR[Bu]N)3Mo–P 92.2 385.8 Derived 2005STE/JOH

RZt-Bu
Mo–C (1) 114.2G3.8 478G16 (1) MS (1) 1981GUP/GIN

(2) 115.2G3.8 482G16 (2) Review (2) 1990SIM/BEA
–C2 (1) 118.1G5.4 494G22
(2) 119.5 500
Mo(CO)5–H2 19.4G1 81G4 PAC 1995WAL/POP
(P(C6H11)3)2(CO)3Mo–H2 6.5G0.2 27.2G0.8 Calorimetry 1991ZHA/GON
Mo(polycr. surf.)–H2 28 (phys) 117 TD 1974KO/SCH
Mo(polycr. surf.)–H2 40 167 Calorimetry 1966CER/PON
Mo(100, surf.)–H2 16G2 (b1-state) 67G8 FD MS 1971HAN/SCH

20G2 (b2-state) 84G8

27G2 (b3-state) 113G8
Mo(polycr. surf.)–O2 (1) 171 715 (1) Calorimetry (1) 1960BRE/HAY

(3) 104 435 (3) Calorimetry (3) 1966BRE/GRA
(4) 132 552 (4) TD (4) 1968GRE/STI
(5) 130 544 (5) Review (5) 1982RAO/KAM
Mo(CO)5–N2 19.6G1 82G4 PAC 1995WAL/POP
(P(C6H11)3)2(CO)3Mo–N2 9.0G0.6 37.7G2.5 Calorimetry 1991ZHA/GON
Mo(polycs. surf.)–N2 6–20 (phys) 25–84 TD 1968KIN/TOM
Mo(polycs. surf.)–N2 (1) 63.4 265 TD (1) 1964OGU

(1) 71.5 299
(2) 60.5G2 253G8 (2) 1967PAR/PRY
(3) w80 w335 (3) 1974KO/SCH
Mo(100, surf.)–N2 9.7G1 (phys) 40.6G4.2 FDMS 1971HAN/SCH
Mo(100, surf.)–N2 87G3 364G13 FDMS 1971HAN/SCH
Mo(110, surf.)–N2 81G3 339G13 TD 1972LAP/NEI
Mo(100, surf.)–NO 10.8 45 TPD 1990FUL/TYS

19.6 82
(h5-C5Me5)(CO)3Mo–SH 55 230 Derived 1999BAU/CAP
(continued)
BDEs (boldfaceZ
recommended data;
Mo(CO)x–CO
xZ3 (1) 30G15 126G63 (1) Mol. beam (1) 1990VEN/HOU
(2) 31G5 129.7G21 (2) LP (2) 1990GAN/ROS
(3) 31 130 (3) LP (3) 1991RAY/ISH
4 (1) 35G15 146G63
(3) 29.5 123.4
(4) 27G5 113.0G21 (4) PAC (4) 1983BER/SIM
5 (2) 35G5 146.4G21
(4) 34G5 142.3G21
(5) 40.5G2 169.5G8.4 (5) LP (5) 1984LEW/GOL
Mo(polycr. surf.)–CO (1) 35 (phys) 146 TD (1) 1964RED

(2) 4.6 19.3 (2) 1967DEG
(2) 20.3 85
Mo(polycr. surf.)–CO (1) 74 310 (1) Calorimetry (1) 1965BRE/HAY

(2) 65.7 275 (2) TD (2) 1967DEG
(3) 74.7 313 (3) Tracer (3) 1967CRO/MAT
Mo(100, surf.)–CO (1) 13.8 (phys) 57.9 (1) PI (1) 1981SEM/EST

(2) 13G1 54.4G4 (2) TDS (2) 1985ZAE/KOL
(a1 state)
(2) 23G2 96.2G8
(a2 state)
Mo(100, surf.)–CO (1) 65.7G0.7 275G3 TDS (1) 1971MAT

(1) 70.3G0.7 294G3
(1) 74.7G0.9 313G4
(1) 77.3G0.9 323G4
(1) 81.6G1.2 342G5
(2) 62G4 259G17 (2) 1973VIS/SCH
(b1 state)
(2) 79G4 331G17
(b2 state)
(2) 86G4 360G17
(b3 state)
(3) 63G2 264G8 (3) 1985ZAE/KOL
(b1 state)
(3) 70G2 293G8

(b2 state)
(3) 93G2 389G8
(b3 state)
Mo(110, surf.)–CO (1) 18.9G1.2 79.1G4.8 (1) XPS (1) 1986ERI/EST

(2) w21 w87 (2) TPD (2) 2003JUE/RAA
Mo(CO)5–CS 65.6G14 274G59 MS 1980MIC/FLE
Mo(polycr. surf.)–CO2 (1) 89 372 (1) Review (1) 1964HAY/TRA

Mo(Mo)x–NH3
xZ0 !9.5 !39.7 Kinetics 1994LIA/MIT
1 14G2 58.6G8.4
Mo(CO)3(h5-C5H5)–CH3 (1) 47.0G1.6 196.6G6.7 (1) Derived (1) 1988NOL/VEG

(2) 48.5G2 203G8 (2) Review (2) 1990SIM/BEA
Mo(CH3)x(h5-C5H5)2–CH3
(2) 48.5G1.7 202.9G7.1 (2) Review (2) 1994NOL
1 (1) 43.7 183
(2) 39.7G1.9 166G8
Mo(polycr. surf.)–CH4 65.2 273 Calorimetry 1977SMU/CER
Mo(polycr. surf.)–C2H2 62.4 261 Calorimetry 1977CER/SMU(b)
Mo–C2H4 17G3.5 71G15 Kinetics 1994LIA/MIT
(continued)
BDEs (boldfaceZ
recommended data;
Mo(h5-C5H5)2–C2H4 14.1G4.8 59G20 Review 1990SIM/BEA
Mo(polycr. surf.)–C2H4 69.3 290 Calorimetry 1977CER/SMU(b)
Mo(CO)3(h5-C5H5)–C2H5 (1) 37 154.8 (1) Derived (1) 1988NOL/VEG

(2) 44.2G2.6 185G11 (2) Review (2) 1990SIM/BEA
Mo(polycr. surf.)–C2H6 100.1 419 Calorimetry 1977SMU/CER

–C3H8 133.4 558
Mo(CO)3(h5-C5H5)–C3H5 35.1G2.4 147G10 Review 1990SIM/BEA
Mo(polycr. surf.)–c-C3H6 w123.6 w517 Calorimetry 1977CER/SMU
Mo(polycr. surf.)–C3H6 78 328 Calorimetry 1977CER/SMU(b)

–C(CH3)2 72.4 303
–HCCCH3 70 293
Mo(C4H9)(h5-C5H5)2 35.1G2.8 147G12 Review 1994NOL

–C4H9
Mo(110, surf.)–PhOH 42 176 TPR 1989SER/FRI
(CO)3(H)Mo–(h5-C5H5) 93 389 Derived 1992HOF

–(h5-C5Me5) 91 381
Mo(CO)5–nC7H16 (1) 8.7G2.7 36.4G11.3 PAC (1) 1989MOR/PAR

(2) 17.3 72.4 (2) 1992BUR
(3) 15.3G1 64G4 (3) 1995WAL/POP
Mo(CO)5–HSiEt3 27.2 113.8 PAC 1992BUR
Mo(CO)5–alkane (1) 11 46.0 (1) PAC (1) 2001JIA/LEU

(2) 13.4 56 (2) LIOAS (2) 2003GIT/JIA
–tetrahydrothiophene (1) 25 104.6
(2) 37.0 155
Mo(CO)5–piperidine 43.7 182.8 Derived 1984EW/GOL

–pyridine 29.7 124.3
(P(C6H11)3)2(CO)3
Mo–pyridine 16.9G0.6 70.7G2.5 Calorimetry 1991ZHA/GON
–P(OMe3)3 24.0G1.0 100.4G4.2
LMo(OCl)–P(OMe3)3 29.5G3.5 123.4G14.6 FT-ICR SID 2004NEM/LAS

LZhydrotris(3,
5-dimethyl-
1-pyrazol)borate
Mo(CO)3(h5-C5H5) (1) 32 133.9 (1) Derived (1) 1988NOL/VEG

Mo–C6H5CH2 (2) 36.8G2.4 154G10 (2) Review (2) 1990SIM/BEA
(h5-C5H5)(CO)3 25 104.6 Thermolysis 1992MAN/HAL

Mo–CH(CH3)C6H5
(h5-C5H5)2Mo–C2(Ph)2 (1) 28.7G6.5 120G27 (1) Review (1) 1990SIM/BEA

(2) 27.5G6.2 115G26 (2) Calorimetry (2) 1993DIO/PIE
(h5-C5H5)(CO)3
Mo–GeMe3 59.9G3.2 250.6G13.4 MS 1971LAP/CAR
(continued)
BDEs (boldfaceZ
recommended data;
(h5-C5H5)(CO)3 71.0G2.3 297.1G9.6

Mo–SnMe3
(L)3Mo–CNAd 10.2 42.7 Stopped-flow 2004STE/FIG

LZN[i-Pr]Ar spectro
AdZ1-adamantyl
16.2.2 MoC–X bonds

Table 16.2.2 BDEs of MoD–X Bonds
BDEs (boldfaceZ
recommended data;
MoC–Mo (1) 116.2 486 (1) Review (1) 1996SMI/YAT

(2) 107.4G0.2 449.4G1.0 (2) PI (2) 1998SIM/LEB
MoC–Xe O12.7G1.6 O53.1G6.8 CID 1998SIE/ARM(b)
MoC–H 40.6G1.4 170G6 CID 1996SIE/CHE
MoðCOÞC
6 –H (1) 65G3 272G13 (1) Thermochem. (1) 1981STE/BEA
(2) 62.1G2.2 260G9 (2) Review (2) 1990SIM/BEA
MoCO5–H O104 O435 ICR 2004GON(c)
(L)(CO)2MoC–H
LZ(arphos)2 63.6 266.1 Electrochemical 1996WAN/ANG
arphos: Ph2P(CH2)2AsPh2
(dppe)2 66.2 277.0

dppe: Ph2P(CH2)2PPh2
(dppm)2 67.2 281.2
dppm: Ph2P(CH2)PPh2
(L)MoC(CO)3–H
LZhydridotris(pyrazol)- 55.4 232 Electrochemical 1993SKA/TIL
borate
hydridotris(3,5- 53.3 223
dimethyl-pyrazolyl)
borate
MoC–F 90G7 376G29 Derived from 1996NIST

IP in ref.
MoC–C (1) 79.8G6.9 334G29 (1) PI (1) 1997QI/YAN

(2) 99.4G4.6 416G19 (2) GIB MS (2) 1998SIE/ARM(b)
(3) 105.8G4.4 442.7G18.3 (3) Review (3) 2006ARM
MoC(CO)–C 56.3G11.5 235G48 PI 1997QI/YAN
MoC–CH (1) 121.7G2.3 509G10 GIB MS (1) 1999ARM(c)

(2) 122.7G3.2 513.3G13.5 (2) 2006ARM
–CH2 (1) 78.6G2.9 329G12
(2) 82.3G2.3 344.4G10
–CH3 (1) 37.5G2.9 157G12
(2) 36.2G2.1 151.5G8.7
MoC
2 O5 –CH4 O89 O372 ICR 2004GON(c)
MoC
3 O8 –CH4 O89 O372
MoC–C2H2 (1) R74.5 R312 (1) Ion beam (1) 1988SCH/BEA(b)

–C2H4 (1) R32.7 R137
(2) 25 104.6 (2) Review (2) 1998SCH/SCH
–1,3-C4H8 (1) R58.6 R245
–C6H6 (1) R60 R251
(continued)
Table 16.2.2 (continued) BDEs of MoC–X Bonds
BDEs (boldfaceZ
recommended data;
MoC(O)x–O
xZ0 (1) 118G2 494G8 (1) Re-evaluated (1) 1997KRE/FIE
(2) 116.7G0.5 488.2G1.9 (2) CID (2) 1998SIE/ARM(b)
(3) 98.5 412 (3) ICR (3) 2002GON/FIA
1 (1) 131G5 548G21
(2) 128.4G3.2 537.4G13.5
(3) 121 506
2 (1) 62G17 259G71
(3) 83 347
O3MoMoC(O2)–O 56 234 ICR 2002GON/FIA

(O3Mo)2MoC(O2)–O 58 243
MoC(O)x–CO
xZ1 18.4G1.8 77.2G7.7 GIB MS 1998SIE/ARM(b)
2 21.2G3.9 88.8G16.4
MoC(CO)x–CO
xZ0 (1) 57.7 241.2 (1) MS (1) 1965FOF/PIG
(2) 39.7 166.0 (2) MS (2) 1980MIC/FLE
(3) 46.4G2.3 193.9G9.6 (3) PI (3) 1997QI/YAN
(4) O11.3 O47.3 (4) PIE (4) 1997CHE/LIA
(5) 10.6G3.9 44.4G16.4 (5) GIB MS (5) 1998SIE/ARM(b)
1 (1) 43.8 183.3
(2) 39.7 166.0
(3) 45.7G1.2 191.0G4.8
(4) %38.3G %160.2G
7.1 29.9
2 (1) 35.5 148.6
(2) 36.2 151.5
(3) 29.3G0.9 122.5G2.9
(4) 33.7G5.1 140.9G21.2
3 (1) 24.9 104.2
(2) 38.7 162.1
(3) 41.3G0.9 172.7G2.9
(4) 40.1G5.1 167.9G21.2
4 (1) 37.8 158.2

(2) 36.7 153.4
(3) 31.8G0.7 133.1G2.9
(4) 30.9G1.4 129.3G5.8
5 (1) 30.9 129.3
(2) 36.0 150.5
(3) 35.7G0.5 149.5G1.9
(4) 32.7G1.8 137.0G7.7
MoC(O)x–CO2
xZ0 11.8G1.6 49.2G6.8 GIB MS 1998SIE/ARM(b)
1 17.8G0.7 74.3G2.9
MoC(S)x–S
xZ0 (1) 88G14 368G59 (1) Re-revaluated (1) 1997KRE/FIE
(2) 84.9G1.4 355.1G5.8 (2) Ion reactions (2) 2003KRE/SCH
1 (1) 100G14 418G59
(2) 94.5G2.3 395.6G9.6
2 (1) 88G14 368G59
(2) 77.7G2.1 325.1G8.7
MoC(S)x–S2
xZ0 78.9G2.5 330.0G10.6 Ion reactions 2003KRE/SCH
1 71.7G3 300.0G12.5
MoC–CS 38.7G4.3 162G18 CID 2000ROD/ARM(b)
MoC–CS2 16.1G3 67.5G12.5 Ion reactions 2003KRE/SCH
Mo3 OC
7 –N2 O112 O469 ICR 2002GON/FIA(b)
MoC(O)x–NH
xZ0 !92 !385 ICR 2002GON/FIA(b)
1 !117 !490
2 !71 !297
Mo3 OC
8 –NH O44 O184 ICR 2002GON/FIA(b)
(continued)
Table 16.2.2 (continued) BDEs of MoC–X Bonds
BDEs (boldfaceZ
recommended data;
Mo3 OC
7 –2NH O88 O368 ICR 2002GON/FIA(b)
Mo2 OC
5 –NH3 O56 O234 ICR 2002GON/FIA(b)
Mo3 OC
8 –NH3 O58 O243
Mo3O7(NH3)C O58 O243
–NH3
MoC–pyrrole O69 O289 Kinetics 2000GAP/YAN
Mo2C(CO)x–CO
xZ1 77.5G18.4 324G77 PI MS 1999QI/YAN
2 34.1G16.1 142.8G68
O3MoC(MoO3)x–MoO3
xZ0 112 469 Derived 2004GON(b)
1 86 360
16.2.3 MoK–X bonds

Table 16.2.3 BDEs of MoL–X Bonds
BDEs (boldfaceZ
recommended data;
MoK(O)x–O
xZ3 O73 O305 GIB MS 1993KEE/CHE
4 !50 !209
MoK(O)x–O2
xZ4 13.8G1.2 58G5 CID 1992HOP/MCM
5 35.0G4.6 146G19
MoK(CO)5–(CO) 41.5G2.3 174G10 CID 1992HOP/MCM

MoK(CO)3(O)2–(CO)2 9.7G1.2 41G5
MoK(CO)5–CHO (1) %41.1 %172 Review (1) 1990SIM/BEA

(2) %38 %159 (2) 2004DAM
16.3 WK, WC–, and WK–X bonds

16.3.1 W–X bonds
Table 16.3.1 BDEs of W–X Bonds
BDEs (boldfaceZ
recommended data;
W–W (1) 116G23 486G96 (1) Correlation (1) 1986MOR

(2) 159 666 (2) Review (2) 1996SMI/YAT
W(100, surf.)–W 31.1G1.8 (phys) 130.3G7.7 FEM 1989STE/KUK
W(100, surf.)–W 184.5 772 FIM 1968PLU/RHO
(continued)
Table 16.3.1 (continued) BDEs of W–X Bonds
BDEs (boldfaceZ
recommended data;
W(110, surf.)–W (1) 19.9 (phys) 83.3 FIM (1) 1970BAS/PAR

(2) 21.2G1.1 88.7G4.6 (2) 1974AYR/EHR
(3) 20.0 83.9 (3) 1975TSO/KEL
(4) 20.8 87.0 (4) 1975COW/TSO
(5) 27.4G1.8 114.8G7.7 (5) 1989STE/KUK
W(110, surf.)–W (1) 189.1 791 (1) FIM (1) 1968PLU/RHO

(2) 184 770 (2) Review (2) 1995SEE/ALL
W(110, surf.)–W2 18.5G1.8 (phys) 77.2G7.7 FIM 1975COW/TSO
W(110, surf.)–W2 184 770 Review 1995SEE/ALL
W(111, surf.)–W 16 (phys) 66.9 FIM 1990CHO/KIM
W(111, surf.)–W 154.5 646.4 FIM 1968PLU/RHO

(2) 19.7 82.4 (2) 1980FLA/GRA
(3) 19.0G0.7 79.5G2.9 (3) 1988WAN/EHR
W(211, surf.)–W 159 666 FIM 1968PLU/RHO
W(211, surf.)–W2 (1) 8.5G0.7 35.7G2.9 FIM (1) 1974GRA/EHR(b)

(phys)
(2) 18.4G1.8 77.2G7.7 (2) 1975COW/TSO
W(211, surf.)–W2 159 666 Review 1995SEE/ALL

W(211, surf.)–W3 8.5G0.7 (phys) 35.7G2.9 FIM 1974GRA/EHR(b)

(2) 20.1G1.8 84.1G7.5 (2) 1974AYR/EHR
(3) 18.8–20.1 78–84 (3) 1989KAP-YAN
W(321, surf.)–W 170.6 714 FIM 1968PLU/RHO
Cl5W–WCl5 10.4 43.5 Derived from 1996NIST

DfH0 in ref.
R(CO)3W–W(CO)3R 81.0 339 Review 1994NOL

RZh5-C5H5
(WO3)–WO3 115G20 481G84 Review 1967DRO/GOL
W(110, surf.)–Mo 119.7 501 FIM 1977VED/GON
W(211, surf.)–Mo (1) 12.8 (phys) 53.6 FIM (1) 1970BAS/PAR

(2) 13.1 54.8 (2) 1975SAK/NAK
(3) 16.4G0.5 68.5G1.9 (3) 1988WAN/EHR
W(211, surf.)–Mo 191 799 Review 1970BAR/PAR
W(211, surf.)–Mo2 6.0 (phys) 25 FIM 1975SAK/NAK
W(321, surf.)–Mo 12.7 (phys) 53 FIM 1975SAK/NAK
W(polycs. surf.)–Li 15 (phys) 63 FEM 1990GLA
W(polycs. surf.)–Li 64 268 FEM 1990GLA
(continued)
BDEs (boldfaceZ
recommended data;
W(110, surf.)–Li 8.5 (phys) 36 CPD 1982LOB/NAU
W(110, surf.)–Li 64.1G2.1 268.2G8.7 TDS 1976HUR/OVE
W(111, surf.)–Li 11 (phys) 46 Review 1995SEE/ALL
W(111, surf.)–Li 62 259 Review 1995SEE/ALL
W(211, surf.)–Li 10 (phys) 42 Review 1995SEE/ALL
W(211, surf.)–Li 62 259 Review 1995SEE/ALL
W(polycs. surf.)–Na 13 (phys) 54 FEM 1990GLA
W(polycs. surf.)–Na 57 238 FEM 1990GLA
W(100, surf.)–Na O53.5 O224 FEM 1968KLI/MED
W(110, surf.)–Na 6.2 (phys) 26 Review 1995SEE/ALL
W(110, surf.)–Na (1) O59.3 O248 (1) FEM (1) 1968KLI/MED

(2) 58.8G0.9 246.0G3.9 (2) TDS (2) 1976HUR/OVE
(3) 63 264 (3) Review (3) 1995SEE/ALL

W(polycs. surf.)–K 9.4 (phys) 39 FEM 1990GLA
W(polycs. surf.)–K 46 192 FEM 1990GLA
W(100, surf.)–K 9.9G0.9 (phys) 41.5G3.9 SIM 1984BAY/WAS
W(100, surf.)–K 57 238 SIM 1984BAY/WAS
W(110, surf.)–K 7.8 (phys) 32.8 FEM 1965SCH/GOM
W(110, surf.)–K (1) 47.3G0.5 197.8G1.9 (1) TDS (1) 1976HUR/OVE

(2) 59 247 (2) Review (2) 1995SEE/ALL
W(211, surf.)–K 18 (phys) 75 Review 1995SEE/ALL
W(211, surf.)–K 59 247 Review 1995SEE/ALL
W(polycs. surf.)–Rb 10 (phys) 42 FEM 1990GLA
W(polycs. surf.)–Rb 41 172 FEM 1990GLA
W(polycs. surf.)–Cs 6.7 (phys) 28 FEM 1990GLA
W(polycs. surf.)–Cs 40 167 FEM 1990GLA
W(100, surf.)–Cs 64.6 270 FEM 1967GAV/VED
W(110, surf.)–Cs 13.1G0.5 (phys) 55.0G1.9 PE 1969LOV/WIE
(continued)
BDEs (boldfaceZ
recommended data;
W(110, surf.)–Cs (1) 73.8 308.7 TDS (1) 1972KON/NAU

(2) 70.6 295.2 (2) 1974TOD/RHO
(3) 71.5 299.1 (3) 1980DES/PAP
(4) 73.0 305.4 (4) 1986ALB
W(321, surf.)–Cs 17.5 (phys) 73 Review 1995SEE/ALL
W(polysc. surf.)–Be 86.2 360.8 TD 1961ZIN/ISH
W(110, surf.)–Be 19.1 (phys) 80 FEM 1960KOM/SAV
W(polysc. surf.)–Mg 65.3 273 TD 1961ZIN/ISH
W(polysc. surf.)–Ca 89.0 372 TD 1961ZIN/ISH
W(surf.)–Ca 76.1 318.4 Pulsed beam 1973MUL/WAS
W(polysc. surf.)–Sr 89.0 372 TD 1961ZIN/ISH
W(surf.)–Sr (1) 97.1G5.1 406.2G21.2 TDS (1) 1965MAD/PET

(2) 85.3 357 (2) 1973MUL/WAS
W(polysc. surf.)–Ba 107.7 450.6 TD 1961ZIN/ISH
W(surf.)–Ba 94.5 395.6 Pulsed beam 1973MUL/WAS
W(100, surf.)–Ba 15 (phys) 63 Review 1995SEE/ALL

W(100, surf.)–Ba (1) 103.5 433 (1) FIM (1) 1972BON/KON

(2) 115 481 (2) Review (2) 1995SEE/ALL
W(110, surf.)–Ba 21.2 (phys) 89 FEM 1973VLA/LOB
W(110, surf.)–Ba 96.6 404 FIM 1972BON/KON
W(111, surf.)–Ba 10.8 (phys) 45.2 Review 1995SEE/ALL
W(111, surf.)–Ba 115 481 Review 1995SEE/ALL
W(210, surf.)–Ba 10.6 (phys) 44.4 Review 1995SEE/ALL
W(211, surf.)–Ba 5.1–16.8 (phys) 21–70 Review 1995SEE/ALL
W(211, surf.)–Ba (1) 103.5 433 (1) FIM (1) 1973MED/SME

(2) 115 481 (2) Review (2) 1995SEE/ALL
W(311, surf.)–Ba 19.1 (phys) 80 Review 1995SEE/ALL
W(100, surf.)–Sc 110.7 463.1 FIM 1974MAK/GUR

W(110, surf.)–Sc 102.6 429.3
W(111, surf.)–Sc 117.6 492.1
W(100, surf.)–Y 132.6 554.8 FIM 1974MAK/GUR

W(110, surf.)–Y 124.5 521.0
W(111, surf.)–Y 138.4 578.9
W(polycs. surf.)–La 154.5G4.6 646G19.3 TD 1973MED/ION
W(100, surf.)–La 138.1 578 FIM 1977GUP/MED
(continued)
BDEs (boldfaceZ
recommended data;
W(110, surf.)–La 138.1 578 FIM 1977VED/GON
W(polycs. surf.)–Ce 7.4 (phys) 31 MS 1994GLA
W(polycs. surf.)–Ce (1) 159 666 (1) TD (1) 1973MED/ION

(2) 43 180 (2) MS (2) 1994GLA
W(polycs. surf.)–Pr 145.3G4.6 608G19.3 TD 1973MED/ION
W(polycs. surf.)–Nd 147.6G4.6 617G19.3 TD 1973MED/ION
W(311, surf.)–Nd 15 (phys) 63 Review 1995SEE/ALL
W(311, surf.)–Nd 104 435 Review 1995SEE/ALL
W(polycs. surf.)–Sm 96.9G4.6 405G19.3 TD 1973MED/ION
W(polycs. surf.)–Eu 4.1 (phys) 17 MS 1988GLA
W(polycs. surf.)–Eu (1) 69.2G6.9 289G29 (1) TD (1) 1973MED/ION

(2) 43 180 (2) MS (2) 1988GLA
W(polycs. surf.)–Gd 161.4G4.6 675G19.3 TD 1973MED/ION
W(polycs. surf.)–Tb 124.5G6.9 521G29 TD 1973MED/ION
W(polycs. surf.)–Ho 110.7G4.6 463G19.3 TD 1973MED/ION

W(polycs. surf.)–Er 119.9G4.6 502G19.3 TD 1973MED/ION
W(polycs. surf.)–Tm 101.5G6.9 425G29 TD 1973MED/ION
W(polycs. surf.)–Yb 64.6G6.9 270G29 TD 1973MED/ION
W(211, surf.)–Yb 16 (phys) 67 Review 1995SEE/ALL
W(211, surf.)–Yb 51 213 Review 1995SEE/ALL
W(polycs. surf.)–Lu 138.4G4.6 579G19.3 TD 1973MED/ION
W(311, surf.)–Th 58 (phys) 243 Review 1995SEE/ALL
W(311, surf.)–Th 178 745 Review 1995SEE/ALL
W(polysc. surf.)–Ti 79.8 334 MS 1976UST/FED
W(100, surf.)–Hf 12.2 (phys) 51 FEM 1994BEB/GUB
W(100, surf.)–Hf 140 586 Review 1995SEE/ALL
W(100, surf.)–V 29 (phys) 121 FIM 1994VLA/STA
W(100, surf.)–V 170 711 Review 1995SEE/ALL
W(110, surf.)–Ta (1) 17.9 (phys) 74.9 FIM (1) 1970BAS/PAR

(2) 17.3 72.4 (2) 1975TSO/KEL
W(110, surf.)–Ta 161 674 Review 1970BAS/PAR
(continued)
BDEs (boldfaceZ
recommended data;
W(211, surf.)–Ta 11.2 (phys) 46.9 FIM 1970BAS/PAR
W(211, surf.)–Ta 140 586 Review 1970BAS/PAR
W(321, surf.)–Ta 15 (phys) 63 FIM 1978TSO/COW
W(321, surf.)–Ta 160 669 Review 1995SEE/ALL
W(polysc. surf.)–Cr 101 422 MS 1966SHE/CHO
W(100, surf.)–Cr 21 (phys) 88 FIM 1994VLA/STA
W(100, surf.)–Cr 198 828 Review 1995SEE/ALL
W(110, surf.)–Re (1) 23.9 (phys) 100 FIM (1) 1970BAS/PAR

(2) 21–24 88–100 (2) 1978TSO/COW
W(110, surf.)–Re 234 979 Review 1970BAS/PAR
W(211, surf.)–Re (1) 20.3 (phys) 84.9 FIM (1) 1970BAS/PAR

(2) 19.8 82.8 (2) 1976STO/GRA
(3) 19.1G0.5 80.0G1.9 (3) 1988WAN/EHR
W(211, surf.)–Re 191 799 Review 1970BAS/PAR
W(211, surf.)–Re2 (1) 18.0G0.3 75.3G1.3 FIM (1) 1976STO/GRA

(phys)
(2) 23.1G1.2 96.5G4.8 (2) 1988WAN/EHR
W(321, surf.)–Re 20.4 (phys) 85.4 FIM 1970BAS/PAR
W(321, surf.)–Re 198 828 Review 1995SEE/ALL
W(110, surf.)–Rh 16.7G1.4 (phys) 70G6 FIM 1990DHA/BAS
W(110, surf.)–Rh (1) 159 665 (1) Review (1) 1995SEE/ALL

(2) 117.6 492 (2) TDS (2) 1997KOL/BAU
W(110, surf.)–Rh2 16.1 (phys) 67.5 FIM 1990DHA/BAS

W(110, surf.)–Rh3 18.2 76.2
W(110, surf.)–Rh4 21.0 87.8
W(211, surf.)–Rh 12.5 (phys) 52.1 FIM 1988WAN/EHR
W(110, surf.)–Ir (1) 18.0 (phys) 75.3 FIM (1) 1970BAR/PAR

(2) 22.4G0.5 93.6G1.9 (2) 1989LOV/EHR
W(110, surf.)–Ir (1) 138 577 (1) Review (1) 1970BAS/PAR

(2) 156.8 655 (2) TDS (2) 1997KOL/BAU
W(211, surf.)–Ir (1) 13.4 (phys) 56.1 FIM (1) 1970BAR/PAR

(2) 12.1 50.6 (2) 1975REE/EHR
(3) 15.5G0.5 64.6G1.9 (3) 1988WAN/EHR
W(211, surf.)–Ir 94 393 Review 1970BAS/PAR
W(211, surf.)–Ir2 15.5 (phys) 65 FIM 1975REE/EHR
W(100, surf.)–Ni (1) 34 (phys) 142 FIM (1) 1976ROU/PIQ

(2) 23.3 97.4 (2) 1987KEL
W(100, surf.)–Ni 105.2 440 FIM 1976ROU/PIQ
(continued)
BDEs (boldfaceZ
recommended data;
W(110, surf.)–Ni (1) 11.3 (phys) 47.3 FIM (1) 1978BAS

(2) 11.3G0.5 47.3G1.9 (2) 1987KEL(b)
W(110, surf.)–Ni 100–114 420–478 TDS 1986KOL/BAU
W(111, surf.)–Ni 20.2G2 (phys) 84.5G8 FIM 1978FLA/GRA
W(111, surf.)–Ni 105 439 Review 1995SEE/ALL
W(211, surf.)–Ni 10.6G0.5 (phys) 44.4G1.9 FIM 1995SEN/EHR
W(100, surf.)–Pd 32 (phys) 134 FIM 1978ROU/PIQ
W(100, surf.)–Pd 24 (phys) 100.4 FIM 1984ROU/PIQ
W(100, surf.)–Pd 103 431 Review 1995SEE/ALL
W(110, surf.)–Pd (1) 18.4 (phys) 77 FIM (1) 1977JON/ROB

(2) 11.8 49.2 (2) 1978BAS
(3) 24 100 (3) 1984ROU/PIQ
W(110, surf.)–Pd (1) w69 w289 (1) FIM (1) 1977JON/ROB

(2) 103 431 (2) Review (2) 1995SEE/ALL
(3) 73.8 309 (3) TDS (3) 1997KOL/BAU
W(111, surf.)–Pd 17 (phys) 71 FIM 1978ROU/PIQ

W(211, surf.)–Pd 7.8 (phys) 32.8 FIM 1995SEN/EHR
W(211, surf.)–Pd 103 431 Review 1995SEE/ALL
W(110, surf.)–Pt w14 (phys) w59 FIM 1970BAR/PAR
W(110, surf.)–Pt (1) 129 540 (1) Review (1) 1970BAS/PAR

(2) 124.5 521 (2) TDS (2) 1997KOL/BAU
W(110, surf.)–Pt2 15.5G1.4 (phys) 65G6 FIM 1976BAS

W(110, surf.)–Pt3 18.4G3.6 77G15
W(110, surf.)–Pt4 20.1G3.6 84G15
W(211, surf.)–Pt 55 230 Review 1970BAR/PAR
W(110, surf.)–Cu (1) 74–89 309–371 (1) TDS (1) 1986KOL/BAU

(2) 84.6 354 (2) LEEM (2) 1996LUO/CAI
W(polysc.)–Ag (1) 66.9 280 FIM (1) 1969CHO/HEN

(2) 36.9G2.3 154.4G9.6 (2) 1972JON
W(110, surf.)–Ag (1) %11G1.2 %46.3G4.8 SEM (1) 1983SPI/AKH

(phys)
(2) 5.8 24.1 (2) 1990JON/MAR
W(110, surf.)–Ag (1) 66 276 (1) MS (1) 1973HUD/LO

(2) 73 305 (2) SEM (2) 1983SPI/AKH
(3) 65–82 270–343 (3) TDS (3) 1986KOL/BAU
(4) 50.7G2.3 212.3G9.6 (4) SEM (4) 1990JON/MAR
W(100, surf.)–Au 11 (phys) 46 Review 1995SEE/ALL
W(100, surf.)–Au 80 335 Review 1995SEE/ALL
(continued)
BDEs (boldfaceZ
recommended data;
W(110, surf.)–Au (1) 76–95 318–396 (1) TDS (1) 1986KOL/BAU

(2) 80 335 (2) Review (2) 1995SEE/ALL
W(111, surf.)–Cd 41–51 172–213 Mol. beam 1971WAG/VOO
W(crystal. surf.)–Hg 42.0G3.5 175.6G14.5 TDS 1968SWA/STR
W(100, surf.)–Hg 23.1 (phys) 96.5 TDS 1968SWA/STR
W(100, surf.)–Hg 44.3 185 TDS 1968SWA/STR
W(111, surf.)–Hg 11.8 (phys) 49.2 TDS 1968SWA/STR

W(321, surf.)–Hg 9.2 38.6
W(100, surf.)–In 25.3 (phys) 106 SAM 1986MOR/BAR
W(100, surf.)–In 81 339 Review 1995SEE/ALL
(h5-C5H5)(CO)3W–GeMe3 64.8 271.1 Derived 1991CAR/KEP
(h5-C5H5)(CO)3W–SnMe3 75.6 316.5 Derived 1991CAR/KEP

W(100, surf.)–Pb 30.0 (phys) 125.4 FEM 1981MOR/DRE
W(100, surf.)–Pb 67 280 Review 1995SEE/ALL
W(111, surf.)–Pb 30.0 (phys) 125.4 FEM 1981MOR/DRE
W(111, surf.)–Pb (1) 115 481 (1) TDS (1) 1975BER/FEL

(2) 58 243 (2) Review (2) 1995SEE/ALL
W(211, surf.)–Pb 85 356 TDS 1975BER/FEL

W(311, surf.)–Pb 85 356
W(110, surf.)–He 0.08 0.34 HAS 1972WEI
W(110, surf.)–Ar (1) 1.8 7.5 FIM (1) 1959GOM

(2) 1.9 8.0 (2) 1964EHR
(3) 2.7 11.5 (3) 1970ENG/GOM
(4) 2.9 12.3 (4) 1979OXI/MOD
W(CO)5–Ar %3 %13 Est. by exp. 1992WEL/WEI

–Kr !6 !25
W(CO)5–Xe (1) 8.2G1.0 34.3G4.2 Transient IR (1) 1992WEL/WEI

(2) 8.4G0.2 35.1G0.8 (2) 1992WEI
W(110, surf.)–Xe 1.1G0.3 (phys) 4.6G1.3 FEM 1980CHE/GOM
W(110, surf.)–Xe 4.3 18 TDS 1981OPI/GOM
W(111, surf.)–Xe 9.3 38.9 Flash 1974DRE/MAD

desorption
(continued)
BDEs (boldfaceZ
recommended data;
W(CO)3(h5-C5H5)–H (1) 72.3 302.5 (1) Electrochem. (1) 1991PAR/HAN

(2) 81.0G1.1 338.9G4.6 (2) Review (2) 1994NOL
(3) 72.4 303 (3) Review (3) 2001TIL
W(CO)2(PMe3) (1) 69.6 291.2 (1) Electrochem. (1) 1991PAR/HAN

(h5-C5H5)–H (2) 69.6 291 (2) Review (2) 2001TIL
(L)W(CO)3–H
LZhydridotris(pyrazol)- 65.7 275 Electrochem. 1993SKA/TIL
borate
hydridotris 62.1 260
(3,5-dimethyl-
pyrazolyl)borate
W(P(i-Pr)3)(CO)3(SPh)–H 53.2 222.6 Derived 1994LAN/JU(b)
W(H)(h5-C5H5)2–H (1) 72.9G1 305G4 (1) Calorimetry (1) 1987CAL/DIA

(2) 74.3G1.0 310.9G4.2 (2) Review (2) 1994NOL
W(I)(h5-C5H5)2–H 65.2G3.3 273G14 Calorimetry 1987CAL/DIA
W(100, surf.)–H w10.5G0.3 w43.9G1.3 LOD 2002CAI/ALT

(phys)
W(100, surf.)–H (1) 64 268 Review (1) 1979TOY/SOM

(2) 67.6 283 (2) 1988CHR
W(110, surf.)–H 4.09G0.10 (phys) 17.11G0.42 FEM 1985WAN/GOM

–D 3.95G0.20 16.53G0.84
–T 4.80G0.20 20.01G0.84
W(110, surf.)–H 68 285 Review 1988CHR
W(111, surf.)–H 70.3 294 Review 1988CHR
W(211, surf.)–H 69 289 Review 1991BEN
W(F)x–F
(2) %130 %544 (2) Derived (2) 1975HIL
1 (2) R132 R552
2 (2) 120 502
3 (2) 120 502
4 (2) 106 444
5 (2) 121 506
F2SW–F 109 456 Derived 1975HIL
W(polycs. surf.)–F (1) O69 O289 Ion beam (1) 1976FLO/PRI

(2) 103.8G3.5 434G14 (2) 1979BOL/BLA
W(Cl)x–Cl
(2) 100.1 419 (2) Der. from (2) 1996NIST
DfH0 in ref.
1 (2) 164.3 687
4 (2) 47.3 198
5 (2) 48.4 202
W(polycs. surf.)–Cl (1) 99 414 (1) Surf. Ioniz. (1) 1977BIE/WAS

(continued)
BDEs (boldfaceZ
recommended data;
W(100, surf.)–Cl (1) 99 414 TDS (1) 1979PRI/RAW

(2) 86.9G0.9 364G4 (2) 1981KRA/BAU
(3) 86 360 (3) 1988ZHO/YOO
W(110, surf.)–Cl 35 146 TDS 1980BON/ENG
W(111, surf.)–Cl 97 406 TDS 1980BON/ENG
W(Br)x–Br
xZ0 (1) 78.7 329.3 (1) MS (1) 1977KAP
5 (2) 37.2 155.6 (2) Der. from (2) 1996NIST
DfH0 in ref.
W(polycs. surf.)–Br 60G3.5 251G14 Ion beam 1979BOL/BLA
W(100, surf.)–Br (1) 76 318 TDS (1) 1980RAW/PRI

(2) 78 326 (2) 1988ZHO/YOO
W(surf.)–I w80 w335 TOF MS 1967MCC
W(100, surf.)–I 70 293 TDS 1988ZHO/YOO
W(O)x–O
xZ0 (1) 160.6G10 672G42 (1) Review (1) 1990SIM/BEA
(2) 161.4 675 (2) Der. from (2) 1996NIST
DfH0 in ref.
(3) 172G17 720G71 (3) ICP-SIFT (3) 2004BLA/KOY
1 (2) 142.9 598
2 (2) 147.9 619
Cl4W–O 116.3G9.3 486.7G39 Derived from 1996NIST

DfH0 in ref.
W(polycs. surf.)–O 129.8 543 FEM 1972GOY/KIN
W(100, surf.)–O (1) 136 569 (1) TD (1) 1968VAS/PTU

(2) 120–171 502–714 (2) TD (2) 1972BAC/DES
(3) 93.2 390 (3) Combined (3) 1974WEL/KIN
(4) 125–136 523–569 (4) Review (4) 1991BEN
W(110, surf.)–O (1) 27G2 (phys) 113G8 (1) CPD (1) 1977BUT/WAG
(2) 14.5 61 (2) FEM (2) 1979CHE/GOM
(3) 24.1 101 (3) FEM (3) 1980BOW/KIN
(4) 24.1 100.8 (4) FEM (4) 1985TRI/GOM
W(110, surf.)–O (1) 138 579 (1) TD (1) 1968VAS/PTU

(2) 126! 527! (2) FEM/TD (2) 1970KIH/GOM
(3) 125–139 523–582 (3) Review (3) 1991BEN
(4) 129 540 (4) Review (4) 1995SEE/ALL
W(111, surf.)–O 23.1 (phys) 96.7 TD 1967ZIN/ISH
W(211, surf.)–O 10–14 (phys) 42–59 FEM 1986TRI/GOM
W(320, surf.)–O 23.9 100 FEM 1980BOW/KIN
W(411, surf.)–O 52.6 220 FEM 1980BOW/KIN
(h5-C5Me5)2WaO 132 552 Derived 1998LUO/LAN
WSF2–S 105 439 Derived 1975HIL

WF2–S 126 527
WF3–S 115 481
(continued)
BDEs (boldfaceZ
recommended data;
W(100, surf.)–S %28.7 (phys) %120 FIM 1980BEC/LEO
W(100, surf.)–S 113 473 Review 1995SEE/ALL
W(110, surf.)–S 15.1–20.1 63–84 FIM 1980BEC/LEO

W(211, surf.)–S 17.9–19.1 75–80
W(721, surf.)–S 24.9G1 104G4
W(100, surf.)–N w35 (phys) w146 FEM 1961EHR/HUD
W(100, surf.)–N 151–152 632–636 Review 1991BEN
W(110, surf.)–N (1) w20 (phys) w84 (1) FEM (1) 1961EHR/HUD
(2) 21 88 (2) AES (2) 1977POL/EHR
W(110, surf.)–N (1) 153 640 Review (1) 1991BEN

(2) 80 335 (2) 1995SEE/ALL
W(111, surf.)–N w20 (phys) w84 FEM 1961EHR/HUD
W(111, surf.)–N 151 632 Review 1991BEN
W–P 72.9G1 305G4 MS 1964GIN
W(110, surf.)–C 55 230 Review 1995SEE/ALL

W(110, surf.)–Si 16.1G1.6 67.5G6.8 FIM 1981CAS/TSO
(CO)5W–H2 R16 R67 Est. by exp. 1994WEL/HOU
(P(C6H11)3)(CO)3W
–(h2-H2) (1) 10.0G1.0 41.8G4.2 Calorimetry (1) 1991ZHA/GON
(2) 6.8G0.5 28.5G2.1 (2) 1997BEN/KUB
–(h2-D2) (2) 6.8G0.5 28.5G2.1
W(polycr. surf.)–H2 (1) 31 (phys) 130 (1) TD (1) 1960HIC

(2) 36 151 (2) TD (2) 1964PTU/CHU
(3) 35 146 (3) FDMS (3) 1966MIM/HAN
(4) 32 134 (4) TD (4) 1974KO/SCH
W(polycr. surf.)–H2 (1) 51.9 217 Calorimetry (1) 1953WAH/KEM

(2) 46.4 194 (2) 1964BRE/HAY
(3) 62.9 263 (3) 1969ELE/NOR
(4) 45.9 192 (4) 1977COU/JOH
W(100, surf.)–H2 (1) 32.3G1.0 135.1G4.2 (1) FDMS (1) 1971TAM/SCH(b)

(2) 32.5 156 (2) Review (2) 1978MAD/BEN
(3) 40 167 (3) TDS (3) 1984SMI/BAR
(4) 38 159 (4) Mol. beam (4) 1989ALN/CAS
W(100, surf.)–D2 32.6 136.4 FDMS 1971TAM/SCH(b)
W(110, surf.)–H2 (1) 32.7G1.0 136.8G4.2 (1) FDMS (1) 1971TAM/SCH(b)

(2) 33 138 (2) Review (2) 1978MAD/BEN
W(110, surf.)–HD 0.41 (phys) 1.72 Scattering 1985RET/DEL
(continued)
BDEs (boldfaceZ
recommended data;
W(111, surf.)–H2 (1) 36.6G1.5 153G6.3 (1) FDMS (1) 1971TAM/SCH(b)

(2) 31 130 (2) Review (2) 1978MAD/BEN
W(211, surf.)–H2 16 (b1-state) 67 TDS 1973RYE/BAR

35 (b2-state) 146
W(surf.)–I2 w40 w167 TOF MS 1967MCC
W(polycr. surf.)–O2 (1) 194 811 (1) Calorimetry (1) 1960BRE/HAY

(3) w138.4 w579 (3) TD (3) 1967PTU/CHU
(4) 145.3 608 (4) TD (4) 1972WAS/WER
(5) 136 570 (5) Review (5) 1982RAO/KAM
(P(C6H11)3)2(CO)3W–N2 13.5G1.0 56.5G4.2 Calorimetry 1991ZHA/GON
W(polycr. surf.)–N2 (1) 9–20 (phys) 38–84 TD (1) 1961EHR(b)

(2) 14–24 59–100 (2) 1967HAY/KIN
W(polycr. surf.)–N2 (1) 95 397 Calorimetry (1) 1950BEE

(2) 92 385 (2) 1959KIS
(3) 103.7 434 (3) 1971YAM/OGU
(4) 95 397 (4) 1974GLA/SOM
(4) 90.8 380 (4) 1977COU/JOH(b)
W(100, surf.)–N2 (1) 9 38 TD (1) 1965DEL/EHR

(2) 9.2 (phys) 38.5 (2) 1971HAN/SCH
(2) 10.5 43.9
W(100, surf.)–N2 (1) 75 314 TD (1) 1965DEL/EHR

(2) 80 335 (2) 1971HAN/SCH
W(110, surf.)–N2 (1) !9 (phys) !38 (1) TD (1) 1965DEL/EHR

(2) 10.3 43 (2) LEED (2) 1990LIN/SHA
W(110, surf.)–N2 79 331 Kinetics 1971TAM/SCH
W(111, surf.)–N2 9–16 (phys) 38–67 TD 1965DEL/EHR
W(111, surf.)–N2 w75 w314 TD 1965DEL/EHR
W(W)x–N2
xZ4 16 67 FTR 1996MIT/RAY
5 16 67
6 17 71
7 17 71
8 16 67
9 17 71
10 15 63
11 18 75
12 18 75
13 18 75
14 25 105
15 16 67
16 25 105
17 25 105
18 24 100
19 24 100
20 24 100
21 26 109
22 26 109
23 25 105
24 25 105
25 26 109
(h5-C5Me5)(CO)3W–SH 63 264 Derived 1999BAU/CAP
(continued)
BDEs (boldfaceZ
recommended data;
W(CO)x–CO
xZ3 (1) 25G15 105G63 (1) Mol. beam (1) 1990VEN/HOU
(2) O33 O138 (2) LP (2) 1991RAY/ISH
4 (2) 36–39 151–163
(3) 40.4G15 169G63 (3) PAC (3) 1983BER/SIM
5 (3) 38G5 159G21
(4) 46.0G2 192.5G8.4 (4) LP (4) 1984LEW/GOL
W(polycr. surf.)–CO (1) 20 (phys) 84 (1) FEM (1) 1962ROO/REI

(2) 16 67 (2) FEM (2) 1963SWA/GOM
(3) 23 96 (3) TD (3) 1964RIG
(4) 13 54 (4) TD (4) 1965UST/AGE
(5) 18.7 78 (5) TD (5) 1967DEG
W(polycr. surf.)–CO (1) 76 318 (1) FEM (1) 1963SWA/GOM

(2) 77 322 (2) TD (2) 1964RIG
(3) 89 372 (3) TD (3) 1965UST/AGE
(4) 77.1 323 (4) TD (4) 1967DEG
(5) 74.5 318 (5) TD (5) 1972WIN
W(100, surf.)–CO (1) 21G2 (phys) 88G8 TDS (1) 1972CLA/SCH

(2) 27G4 113G17 (2) 1973VIS/SCH
W(100, surf.)–CO 57G4 238G17 TDS 1973VIS/SCH

64G4 268G17
82G4 343G17
W(110, surf.)–CO (1) 23.1 (phys) 97 (1) TDS (1) 1968AGE/PTU

(2) 21G2 88G8 (2) FDMS (2) 1972CLA/SCH
(3) 10–25 42–105 (3) TDS (3) 1973KOH/GOM
(4) 22.3 93 (4) FEM (4) 1979CHE/GOM
(5) 20.6 86 (5) XPS (5) 1983UMB/MEN
W(110, surf.)–CO (1) 80.7 338 (1) TDS (1) 1968AGE/PTU

(2) 69.5G3 291G13 (2) TDS (2) 1971KOH/GOM
(3) 93G5 389G17 (3) FDMS (3) 1972CLA/SCH

(4) 78 326 (4) Review (4) 1995SEE/ALL
W(111, surf.)–CO 27 (phys) 113 Review 1974ERT
W(311, surf.)–CO 27.7 (phys) 116 TDS 1968AGE/PTU
W(311, surf.)–CO 87.6 367 TDS 1968AGE/PTU
W(CO)5–CS 71.9G8 301G33 MS 1980MIC/FLE
W(110, surf.)–WSi 13.6G0.5 (phys) 56.9G1.9 FIM 1985WRI/EHR
W(110, surf.)–WSi 155 649 Review 1995SEE/ALL
W(polycr. surf.)–CO2 (1) 109 456 (1) Review (1) 1964HAY/TRA

W(CO)5–N2O (1) 22G2 92G8 (1) IR (1) 1991GOG/WEL

(2) 14.1G0.5 59.0G2.1 (2) FT-IR (2) 1993WEI/WEL
W(polycr. surf.)–NH3 (1) 62 259 (1) Calorimetry (1) 1953WAH/KEM

(2) 72 301 (2) Review (2) 1964HAY/TRA
W(CH3)5–CH3 38.2G1.5 159.8G6.3 Review 1994NOL
W(CH3)(h5-C5H5)2–CH3 (1) 47.1G0.4 197G3 (1) Calorimetry (1) 1987CAL/DIA

(2) 52.8G0.9 220.9G4 (2) Review (2) 1994NOL
W(polycr. surf.)–C2H4 100.8 422 Calorimetry 1950BEE/COL
(continued)
BDEs (boldfaceZ
recommended data;
W(CO)5–CF2Cl2 19.6G0.6 82.0G2.5 IR 1991BOG/WEL
W(Pr3)(CO)3(H)–SC6H5 40.4G3 169G13 Derived 1997LAN/JU
W(CO)5–C(OCH3)(C6H5) (1) 85.1G3.8 356G16 (1) Calorimetry (1) 1984ALT/CON

(2) 85.8G4.3 359G18 (2) Review (2) 1990SIM/BEA
W(CO)5–P(C6H5)3 (1) 75.3G3.1 315G13 (1) Calorimetry (1) 1984ALT/CON

(2) 76.2G3.8 319G16 (2) Review (2) 1994DIA/PIE
(h5-C5H5)(CO)3
Mn–GeMe3 64.6G2.3 270.3G9.6 MS 1971LAP/CAR
(h5-C5H5)(CO)3
Mn–SnMe3 75.6G3.5 316.3G14.6
W(CO)5 –CH4 !5 !21 TR-IR 1990BRO/ISH

–C2H6 7.4G2 31.0G8.4
–C3H8 8.1G2 33.9G8.4
–n-C4H10 9.1G3 38.1G12.6
–i-C4H10 8.6G2 36.0G8.4
–n-C5H12 10.6G3 44.4G12.6
–n-C6H14 10.8G3 45.2G12.6
–c-C3H6 8.8G2 36.8G8.4
–c-C5H10 10.2G3 42.7G12.6
–c-C6H12 11.6G3 48.5G12.6
W(CO)5–CH3F 11.2G3 46.9G12.6 TR-IR 1990BRO/ISH

–CH3F2 O5 O21
–CHF3 !5 !21
–CF4 !5 O21
–C2H5F 12.2G3 51.0G12.6
W(CO)5–pyridine (1) 39 163 (1) Calorimetry (1) 1984ALT/CON

(2) 39.5 165.3 (2) Derived (2) 1984LEW/GOL
–pyrazine (2) 35.5 148.5
–pyrazole (2) 33.0 138.1
–piperidine (1) 43.5 182
(2) 44.7 187.0
–NCCH3 (2) 42.7 178.7
W(CO)5–nC7H16 (1) 13.4G2.8 56.1G11.7 PAC (1) 1989MOR/PAR

(2) 14.7 61.5 (2) 1992BUR
–HSiEt3 (2) 29.4 123.0
(P(C6H11)3)2(CO)3W–L
LZpyridine 18.9G0.4 79.1G1.7 Calorimetry 1991ZHA/GON
P(OMe3)3 26.5G1.5 110.9G6.3
(h5-C5H5)(CO)3 29 121 Thermolysis 1992MAN/HAL

W–CH(CH3)C6H5
fac-(h2-phen)(CO)3 25.1 105 Kinetics 2004RIV/CRE

W–C60 phenZ1,
10-phenanthroline
16.3.2 WC–X bonds

Table 16.3.2 BDEs of WD–X Bonds
BDEs (boldfaceZ
recommended data;
C
W –H (1) 38.2 160 GIB MS (1) 2001ARM/ZHA
(2) 53.2G1.2 222.5G5 (2) 2002ZHA/RUE
CHWC–H (1) 57.7G2.3 241.4G9.6 (1) PD (1) 2001SIM/LEM

(2) 71.0G6.7 297G28 (2) CID (2) 2006ARM/SHI
(CO)6WC–H (1) 64G3 267.8G12.6 (1) Thermochem. (1) 1981STE/BEA

(2) 61.4G2.2 257G9 (2) Review (2) 1990SIM/BEA
H–WCH(CO)2(PMe3) O75.5 O316 Electrochem. 1992TIL(b)

(h5-C5H5)
(L)(CO)2WC–H
LZ(CO)(PMePh2)3 59.5 248.9 Electrochem. 1996WAN/ANG
(CO)(PEtPh2)3 60.6 253.6
(CO)(PEt2Ph)3 61.0 255.2
(CO)(PMe3)3 62.0 259.4
(CO)(PEt3)3 64.7 270.7
(dppm)2 68.0 284.5
dppm: Ph2P(CH2)PPh2
(CO)(tripod) 60.4 252.7
tripod: MeC(CH2PPh2)3
(CO)(triphos) 64.5 269.9
triphos:
PhP(CH2CH2PPh2)2
(CO)3(L)-WC–H
LZhydridotris 57.8 242 Electrochem. 1993SKA/TIL
(pyrazol)borate
hydridotris(3,5-dimethyl- 55.2 231
pyrazolyl)borate
WC–F 106G23 444G96 Der. from IP 1996NIST

in ref.
WC–C (1) 90.6G11.5 379G48 (1) UV PI (1) 1997QI/YAN(c)

(2) 115.3G5.1 483G21 (2) GIB MS (2) 2006ARM/SHI
WC(CO)–C 89.2G13.8 373G58 UV PI 1997QI/YAN(c)
WC–CH (1) 142.2G7.2 595G30 (1) CID (1) 2003ARM

(1) 138.6G6.5 580G27 (2) CID (2) 2006ARM/SHI
–CH2 (1) 109.5G1.4 458G6
(2) 109.1G1.4 456.4G5.8
(3) O111 O464 (3) FT-ICR (3) 1991IRI/BEA
–CH3 (1) 39.7G6.5 166G27
(2) w53.3G2.3 w222.9G9.6
(4) 37.3 156 (4) CID (4) 2001ARM/ZHA
WC–C2H2 76.1G9.2 318G39 FT-ICR 1998GEE/BOI
WC–C2H4 25 104.6 Review 1998SCH/SCH
WC(O)x–O
(2) 166G10 695G42 (2) ICP-SIFT (2) 2004BLA/KOY
1 (1) 132 552
(3) O119 O498 (3) Derived (3) 2004LAV/BLA
WC(CO)x–CO
xZ0 (1) 61.1 255.7 (1) MS (1) 1980MIC/FLE
(2) 79.8G3.5 333.9G14.5 (2) PI (2) 1997QI/YAN(c)
(3) !10.4 !43.4 (3) PIE (3) 1997CHE/LIA
1 (1) 47.7 199.7
(2) 92.9G2.3 388.7G9.6
(3) %55.6G3.7 %232.5G15.4
2 (1) 51.4 215.2
(2) 23.8G2.3 99.4G9.6
(3) 54.4G3.0 227.7G12.5
3 (1) 42.4 177.5G9.6
(2) 30.2G2.3 126.4G9.6
(3) 42.7G3.0 178.5G12.5
4 (1) 44.3 185.2
(2) 49.1G1.2 205.5G4.8
(3) 38.7G3.2 162.1G13.5
(continued)
Table 16.3.2 (continued) BDEs of WC–X Bonds
BDEs (boldfaceZ
recommended data;
5 (1) 39.2 164.0

(2) 41.5G0.7 173.7G2.9
(3) 36.0G2.1 150.5G8.7
W2C(CO)x–CO
xZ1 101.0G23 423G96 UV PI 1997QI/YAN(c)
2 79.8G18 334G77
3 51.2G15 214G63
4 38.0G13 159G53
5 54.0G10.4 226G43
WC–pyrrole O50 O209 Kinetics 2000GAP/YAN
16.3.3 WK–X bonds

Table 16.3.3 BDEs of WL–X Bonds
BDEs (boldfaceZ
recommended data;
WK(O)5–O2 40.8G3.5 171G15 CID 1992HOP/MCM
(L)WK–CO
LZ(CO)3(O) 1.66G0.1 7.0G0.4 CID 1992HOP/MCM
(CO)5 38.0G2.3 159G10
(CO3)(O)2 %2.3 %9.6
WK(CO)5–CHO (1) %46.4 %194 Review (1) 1990SIM/BEA

(2) %43 %180 (2) 2004DAM
chapter seventeen
BDEs of Mn(Mn G )–, Tc(Tc C ), and

Re(ReG)–X bonds
17.1 Mn–, MnC–, and MnK–X bonds

17.1.1 Mn–X bonds
Table 17.1.1 BDEs of Mn–X Bonds
BDEs (boldfaceZ
recommended data;
Mn–Mn (1) 7.5–12.9 31–54 (1) MS (1) 1968KAN/LIN

(2) 11.0 46 (2) Review (2) 1979MIE/GIN
(3) 11.0 46.2 (3) Raman (3) 1984MOS/DIL
(4) %19.3 %80.8 (4) Review (4) 1986MOR
(5) 14.7G2.3 61.6G9.6 (5) PD (5) 2002TER/MIN
F3Mn–MnF3 50.4G0.6 210.9G2.5 MS 2002CIC/RAU
(CO)5Mn–Mn(CO)5 (1) 22.5 94 (1) Calorimetry (1) 1982CON/ZAF

(2) 41 171 (2) PES (2) 1985SIM/SCH
(3) 38G5 159G21 (3) PAC (3) 1986GOO/PET
(4) O42 O176 (4) Photolysis (4) 1988SMI
(5) 44.2G2 185G8 (5) Review (5) 1990SIM/BEA
(CO)5Mn–Re(CO)5 35.6G2.6 149G11 Derived 1992CON
Mn–Co 12.0G1.9 50G8 CID 1991HOP/MCM(b)
(continued)
781
Table 17.1.1 (continued) BDEs of Mn–X Bonds
BDEs (boldfaceZ
recommended data;
(CO)5Mn–Co(CO)4 22.9G2.9 96G12 Derived 1992CON
Mn–Ag 23.7G5 99.2G21 Review 1986MOR
Mn–Au (1) 43.4G3.0 181.6G12.6 (1) MS (1) 1968MO/DRO

(2) 47.3G5 197.7G21 (2) Review (2) 1986MOR
Mn–H (1) 39.9G1.5 167G6 (1) Review (1) 1996ARM/KIC

(2) 60.9G1.2 255G5 (2) Spectroscopy (2) 1997NAG/RAJ
Mn–D 75.5G1.4 316G6 Spectroscopy 1997NAG/RAJ
(CO)5Mn–H (1) 50.9 213G10 (1) Calorimetry (1) 1982CON/ZAF

(2) 63 264 (2) Kinetics (2) 1986BIL/GRI
(3) O70 O293 (3) LP (3) 1988SMI
(4) 58.6G2.4 245G10 (4) Review (4) 1990SIM/BEA
(5) 68.0 284.5 (5) Electrochemical (5) 1991PAR/HAN
(R)Mn(CO)4–H
RZPPh3 (1) 68.4 286.2 Electrochemical (1) 1991PAR/HAN
PEtPh2 (2) 71 297.1 (2) 1991EIS/LAW
p-InP(solid)Mn–H 31.1G2.3 130.3G9.6 Kinetics 1992PEA/HOB
Mn(polycs. surf.)–H w12 w50 TD 1971ROB/BIC
Mn–F (1) 101.2G3.5 423.4G14.6 (1) MS (1) 1964KEN/EHL

(2) 104.5G2.3 437.2G9.6 (2) CL (2) 1996DEV/GOL
(3) 106.4G1.8 445.2G7.5 (3) HT MS (3) 2002BAL/CAM
BDEs of Mn(MnG)–, Tc(TcC), and Re(ReG)–X Bonds 783
Mn–Cl 80.9G1.6 338.5G6.7 MS 1995HIL
Mn–Br 75.1G2.3 314.2G9.6 Spectroscopy 1968GAY

–I 67.6G2.3 282.8G9.6
(CO)5Mn–Cl (1) 70.3G2.4 294G10 (1) Calorimetry (1) 1982CON/ZAF

(2) O90 O377 (2) LP (2) 1988SMI
–Br (1) 57.8G1.4 242G6
(2) O77 O322
(CO)5Mn–I (1) 46.6G1.4 195G6 (1) Calorimetry (1) 1982CON/ZAF

(2) O66 O276 (2) LP (2) 1988SMI
(3) 54.0 225.9 (3) Review (3) 1992DRA/WON
Mn–O (1) 89.0G1.8 372.4G7.7 (1) MS (1) 1984SMO/DRO(b)

(2) 83.7G6 350G25 (2) GIB MS (2) 1986ELK/ARM
(3) 88.3G1.8 369.5G7.7 (3) Spectrometry (3) 1989MER
(4) 86.5G6 362G25 (4) GIB MS (4) 1990SUM/ARM
(5) 96.3G10 403G42 (5) Review (5) 1990SIM/BEA
Mn(O)–O 115 481 Derived 1994HIL/LAU(b)
Mn–S 72G4 301G17 MS 1965WIE/GIL
Mn–Se 57.2G2.2 239.3G9.2 MS 1978SMO/PAT
Mn(polycr. surf.)–H2 0.9 (phys) 3.8 Review 1964HAY/TRA
Mn(polycr. surf.)–H2 17 71 Review 1964HAY/TRA
Mn(polycr. surf.)–O2 (1) 151.8 635 (1) Calorimetry (1) 1960BRE/HAY

(2) 150 628 (2) Review (2) 1965BRE/HAY
(continued)
BDEs (boldfaceZ
recommended data;
(3) 184 770 (3) Review (3) 1982RAO/KAM
MnO(polycr. surf.)–O2 24 100 Review 1964HAY/TRA
Mn(OH)x–OH
xZ0 77 322 Derived 1994HIL/LAU(b)
1 105 439
(MnO)–H 83.5G10 349.4G42 Derived This volume
(MnO)–OH 89 372 Derived 1994HIL/LAU(b)
MnO(polycs. surf.)–CO 64.4 269 Review 1964HAY/TRA
MnBr(CO)4–CO 44 184 LP 1988SMI

Mn2(CO)9–CO 38 159
(h5-C5H5)(CO)2 (1) 55 230 Review (1) 1990BUR

Mn–CO (2) 46.7G1.7 195.4G7.1 (2) 1990KLA/SEL
(3) 46.8G2.1 195.8G9.2 (3) 1992HES/SUN
Mn(polycr. surf.)–CO 78 326 Calorimetry 1965BRE/HAY
Mn(polycr. surf.)–CO2 (1) 53 222 (1) Review (1) 1964HAY/TRA

Mn(CO)5–CH2F 33.2G2.6 139G11 PIMS 1990SIM/BEA

–CHF2 34.4G2.6 144G11
Mn(CO)5–CF3 (1) 41.1G1.7 172G7 (1) Calorimetry (1) 1982CON/ZAF

(2) O61 O255 (2) LP (2) 1988SMI
(3) 48.5G1.4 203G6 (3) Review (3) 1990SIM/BEA
Mn–CH3 (1) 12.7G3.9 53G16 (1) GIB MS (1) 1990SUN/ARM

(2) O8.3G2.8 O35G12 (2) Review (2) 1996ARM/KIC
(3) 27.9G2.1 116.7G8.7 (3) Derived (3) 1996PAR/NIE
Mn(CO)5–CH3 (1) 36.6G1.2 153G5 (1) Calorimetry (1) 1982CON/ZAF

(2) O56 O234 (2) LP (2) 1988SMI
(3) 44 184 (3) Review (3) 1988STO/BER
(4) 45.9G2.6 192G11 (4) Review (4) 1990SIM/BEA
(5) 44.7G0.9 187.0G3.8 (5) Review (5) 1994NOL
Mn(CO)5–C(O)CH3 (1) 30.8G2.9 129G12 (1) Calorimetry (1) 1982CON/ZAF

(2) O50 O209 (2) LP (2) 1988SMI
(3) 39 163.2 (3) Review (3) 1988STO/BER
(4) 38.2G2.4 160G10 (4) Review (4) 1990SIM/BEA
(5) 39 163.2 (5) Review (5) 1994NOL
Mn(CO)5–C(O)CF3 (1) 35.1G2.6 147G11 (1) Calorimetry (1) 1982CON/ZAF

(2) O55 O230 (2) LP (2) 1988SMI
(3) 42.1G3.3 176G14 (3) Review (3) 1990SIM/BEA
Mn(CO)5–C(O)C2H5 43.3 181 Review 1990SIM/BEA

–C(O)C3H7 41.8 175
Mn(CO)5–(h1-C3H5) 31.1G2.6 130G11 Derived 1992CON

–(h3-C3H5) 48.5G2.4 203G10
Mn(h5-C5H5)x–
(h5-C5H5)
xZ0 69.2 289.4 EI 2001OPI
1 48.9 204.5
Mn(CO)5–C6H5 (1) 40.6G2.6 170G11 (1) Calorimetry (1) 1982CON/ZAF

(2) O60 O251 (2) LP (2) 1988SMI
(3) 49 205 (3) Review (3) 1988STO/BER
(4) 49.5G2.6 207G11 (4) Review (4) 1990SIM/BEA
Mn(CO)5–C(O)C6H5 (1) 21.3G2.4 89G10 (1) Calorimetry (1) 1982CON/ZAF

(2) O41 O172 (2) LP (2) 1988SMI
(continued)
BDEs (boldfaceZ
recommended data;
(3) 30.4G2.6 127G12 (3) Review (3) 1990SIM/BEA
Mn(CO)5–CH2C6H5 (1) 20.8G2.9 87G12 (1) Calorimetry (1) 1982CON/ZAF

(2) 32G5 134G21 (2) PES (2) 1985SIM/SCH
(3) O40 O167 (3) LP (3) 1988SMI
(4) 29 121 (4) Review (4) 1988STO/BER
(5) 30.8G2.4 129G10 (5) Review (5) 1990SIM/BEA
Mn(CO)4(PL3)–L %25 %105 Kinetics 1982NAP/SAN

LZCH2-p-MeO–C6H4
(h5-C5H5)-Mn(CO)2–L
LZCH2Cl2 17 71 Derived 1992YAN/YAN
CH2Br2 20 84
n-BuCl 19.5 82
n-BuBr 21 88
n-C5H11Br 21 88
(h5-C5H5)-Mn(CO)2–L
LZCH3C(O)CH3 17.4G1.0 72.8G4.2 Derived 1990KLA/SEL
cis-cyclooctene 24.5G2.3 102.5G9.6
S(C4H9)2 28.7G2.2 120.1G9.2
(h5-C5H5)-Mn(CO)2 (1) 10 42 Derived (1) 1992BUR

–nC7H16 (2) 8G1 34G4 (2) 1992HES/SUN
–HSiEt3 (1) 24 100
(h5-C5H5)-Mn(CO)2 (1) 16.1G1.4 67.4G5.9 Derived (1) 1990KLA/SEL

–THF (2) 24G2 100.4G8.4 (2) 1992YAN/YAN
THFZtetrahydrofuran (3) 23.3G2.0 97.5G8.4 (3) 1999COL/DUL
(3) 24.7G2.0 103.3G8.4
(h5-C5H5)-Mn(CO)2– 14.2G0.8 59.4G3.3 Low Tem IR 2000BEN

PhMe
(CO)5Mn–SiMe3 60.9 254.7 MS 1973BUR/STO

–GeMe3 55.3 231.6
(CO)5Mn–SnMe3 (1) 57.9 242.2 MS (1) 1973BUR/STO

(2) 47.0 196.8 (2) 1978SPA
–SnPh3 (2) 48.2 201.6
(3) 61G8 255G33 (3) 1974CLA/RAK
–SnMe2Cl (2) 51.7 216.1
(CO)5Mn–Sn(CH3)3 47.0 196.8 MS 1978SPA

–Sn(CH3)2Cl 51.7 216.1
–Sn(C6H5)3 48.2 201.6
17.1.2 MnC–X bonds

Table 17.1.2 BDEs of MnD–X Bonds
BDEs (boldfaceZ
recommended data;
MnC–Mn (1) 32.9 137.6 (1) PD (1) 1985JAR/ILL

(2) 48.4G6.9 202.6G29 (2) ICR (2) 1989HOU/VUL
(3) 30.9 129 (3) Review (3) 1996SMI/YAT
MnCMnx–Mn
xZ1 (1) 19.1G1.2 80.1G4.8 PD (1) 2002TER/MIN
2 (1) 24.0G1.6 100.3G6.8 (2) 2005TON/TER
3 (2) 39.2G1.8 164.0G7.7
4 (2) 24.0G2.3 100.3G9.6
5 (2) 33.7G2.5 140.9G10.6
MnCMn–Mn2 13.8 57.9 PD 2002TER/MIN
(CO)5MnC–Mn(CO)5 (1) 39.7 166 (1) Review (1) 1990SIM/BEA

(2) R48.4 R202.6 (2) CID (2) 1991YU/LIA
(continued)
Table 17.1.2 (continued) BDEs of MnC–X Bonds
BDEs (boldfaceZ
recommended data;
(CO)4MnC–Mn(CO)5 R48.4 R202.5 CID 1991YU/LIA
MnC–H (1) 48.5G3.4 203G14 (1) GIB MS (1) 1986ELK/ARM(b)

(2) 48.4G1.4 202.5G5.9 (2) Review (2) 1987SCH/GOD
(CO)5MnC(H)x–H
xZ0 (1) 53G5 222G21 (1) Thermochemical (1) 1981STE/BEA(b)
(2) 41.1G2.4 172G10 (2) Review (2) 1990SIM/BEA
1 (1) 87G3 364.0G12.6
(2) 83.4G2.6 349G11
(L)(CO)3MnC–H
LZ(CH3)(CO)2 (1) 67G3 280.3G12.6 (1) Thermochemical (1) 1981STE/BEA(b)
(2) 63.8G2.6 267G11 (2) Review (2) 1990SIM/BEA
(CH3C5H4) (1) 71G3 297.1G12.6
(2) 67.6G3.1 283G13
MnC
2 ðCOÞ10 –H 48.8G3.1 204G13 Review 1990SIM/BEA
MnC–F 76.6G5.7 321G24 Derived from IP in ref. 1996NIST
MnC–Cl O50.5 O211 Ion reactions 1989STR/RID

–I O50.5 O211
MnC(H2)–H2
xZ0 1.9G0.4, at 0 K 7.9G1.7 Equilibrium 1997WEI/KEM
1 1.7G0.4 7.1G1.7
2 w1.4 w5.9
3 w1.2 w5
HMnC(H2)x–H2
xZ0 7.2G0.5, 0K 30.1G2.1 Equilibrium 1997WEI/KEM
1 4.8G0.5 20.1G2.1
MnC–CH2 70.6G3 295G13 GIB MS 1990SUN/ARM

–CH3 51.4G2.3 215G10
MnC(CO)5–CH3 32.7G1.4 137G6 Review 1990SIM/BEA

31.5G3.6 132G15
MnC(CO)5–CH2F 19.6G1.4 82G6 Review 1990SIM/BEA

–CHF2 13.9G1.4 58G6
–CF3 17.2G1.4 72G6
22.2G3.6 93G15
MnC(CO)5–CH4 O7.2 O30 ICR 1991HOP/MCM
MnC(C2H4)x–C2H4
xZ0 (1) 21.7G2.9 91G12 (1) Ion reactions (1) 1998SIE/JAR
(2) 20 84 (2) Review (2) 1998SCH/SCH
1 (1) 21.0G3.5 88G14
MnC(h5-C5H5)x–(h5-
C5H5)
xZ0 (1) 74.0 309.7 (1) EI (1) 2001OPI
(2) 77.9G2.3 326.1G9.6 (2) PES (2) 2002LI/SZT
1 (1) 49.3 206.5
(2) 79.1G2.3 330.9G9.6
MnC(C6H6)x–C6H6
xZ0 (1) 31.8G2.2 133G9 (1) GIB MS (1) 1995MEY/KHA
(2) 34.6G2.3 145G10 (2) FT ICR (2) 1997LIN/CHE(b)
1 (1) 48.5G3.8 203G16
MnC(CO)5–C6H6 32G5 134G21 Thermochemical 1985SIM/SCH
MnC(CO)5–C6H5CH3 36.6G4.1 153G17 Review 1990SIM/BEA
MnC–O (1) 58.3G13.8 244G58 (1) Thermochemical (1) 1982ARM/HAL

(1) 57.2G2.3 239G10 (1) CID
(2) 68.1G3 285G13 (2) GIB MS (2) 1990FIS/ELK
(continued)
BDEs (boldfaceZ
recommended data;
MnC–OH (1) 82.0 343 (1) TQ MS (1) 1989MAG/DAV(b)

(2) 81G4 339G17 (2) GIB MS (2) 1995RYA/FIE
(3) 79.3G6 332G24 (3) Review (3) 1996ARM/KIC
MnC(CO)x–CO
xZ0 (1) O7 O29 (1) KERD (1) 1989DEA/HAY
(2) 6.0G2.4 25G10 (2) CID (2) 2000ROD/ARM(b)
1 (1) !25 !105
(2) 15.1G2.4 63G10
2 (1) 31.6G6 132G25
(2) 17.7G2.4 74G10
3 (1) 20G3 84G13
(2) 15.5G2.4 65G10
4 (1) 16G3 67G13
(2) 28.9G2.4 121G10
5 (1) 32G5 134G21
(2) 33.9G2.4 142G10
(CO)4Mn(CH3)HC–CO 7G2 29G8 Review 1991ELL/SCH
(h5-C5H5)MnC(CO)x–CO
xZ0 24.9G1.4 104.2G5.8 PES 2001LI/SZT
1 14.5G0.9 60.7G3.9
2 25.6G0.9 107.1G3.9
(L)(C6H6)MnC–CO
LZnone 30 126 Thermochemical 1985SIM/SCH
CO 25 105
(CO)2 12 50
(CO)3 21 88
(CO)4 10 42
MnC
2 ðCOÞ10 ðHÞ–CO 19.1G1.7 80G7 CID 1991HOP/MCM
MnC
2 ðh SiH2 ÞðCOÞx –CO
xZ0 41.5 173.7 EI 1989STA/DOW
1 16.1 67.5
2 39.2 164.0
3 25.4 106.1
4 23.1 96.5
5 36.9 154.4
6 4.6 19.3
7 32.3 135.1
8 23.1 96.5
9 11.5 48.2
MnC–OTi 54.88G0.02 229.63G0.10 Derived 2001FU/RUS

(MnO)C–Ti 145.0G4.2 606.9G17.4
MnC(H2O)x–H2O
xZ0 (1) 26.5 110.9 CID (1) 1989MAG/DAV(b)
(2) 28.5 119.2 (2) 1989MAR/SQU
(3) 29.1G1.4 121.8G5.9 (3) 1994DAL/HON
(4) 32.5 136 (4) 2000VUK/STO
1 (2) 17.8 74.5
(3) 21.5G1.2 90.0G5.0
2 (3) 25.9G1.4 108.4G5.9
3 (3) 11.8G1.2 49.4G5.0
MnC–CH3OH 32G7 134G29 Ion reactions 1984LAR/FRE

–C2H5OH 34G7 142G29
–(CH3)2CO 39G7 163G29
–n-C3H7OH 35G7 146G29
–(CH3)3CO 39G7 163G29
–(CH3)3COH 38G7 159G29
MnC–OC(CH3)2 38.0G3.5 159G14 FT-ICR 1997LIN/CHE

–C(CD3)2 34.4G3.5 144G14
MnC–S 59G5.5 247G23 CID 2001RUE/ARM(b)

–CS 19G5.1 80.0G21
MnC–Se 39.5G12 165G50 Derived from IP in ref. 1996NIST
(continued)
BDEs (boldfaceZ
recommended data;
MnC–NH2 60.7G5 254G20 Ion reactions 1996ARM/KIC
MnC(NH3)x–NH3
xZ0 (1) 36.9 154.4 CID (1) 1989MAR/SQU
(2) 35.1G1.9 147G8 (2) 1998WAL/ARM
1 (1) 34.2 143
(2) 36.3G2.9 152G12
2 (1) 11.8 49.4
(2) 15.3G2.4 64G10
3 (2) 8.6G1.4 36G6
MnC–pyridine 43.6G2.1 182.6G8.6 CID 2000ROD/STA

MnC(pyrrole)x–pyrrole
1 27.0 113
MnC–adenine 52.5G1.9 219.8G8.1 CID 2002ROD/ARM
MnC–imidazole 51.2G1.1 214.2G4.4 CID 2004RAN/AMU
MnC–Si O19G6.2 O79G26 Ion reactions 1995KIC/ARM
(CO)5MnC–SiMe3 24.0 100.3 Derived 1973BUR/STO

–GeMe3 16.1 67.5
–SnMe3 15.9 66.6
MnC–bipy, bipyZ2, 74.0 309.7 Derived 2005TSI/DIE

2 0 -bipyridine
MnC–phen, phenZ1, 81.6 341.5

10-phenanthroline
Mn2C(H2O)x–H2O
xZ8 15G3 62.8G12.6 HP MS 1990BLA/JAY(b)
9 15G3 62.8G12.6
10 15G3 62.8G12.6
11 14G3 58.6G12.6
Mn2C–bipy, bipyZ2, 208.9 874.1 Derived 2005TSI/DIE

2 0 -bipyridine
Mn2C–phen, phenZ1, 219.1 916.6
10-phenanthroline
phenMn2C–bipy 114.1 477.6 Derived 2005TSI/DIE

phenZ1,10-
phenanthroline,
bipyZ2,2 0 -bipyridine
bipyMn2C–phen 125.4 524.9 Derived 2005TSI/DIE

bipyZ2,2 0 -bipyridine
phenZ1,10-
phenanthroline
17.1.3 MnK–X bonds

Table 17.1.3 BDEs of MnL–X Bonds
BDEs (boldfaceZ
recommended data;
MnK–H O50.2G4.3 O210G18 Derived 1991ARM/SUN
(CO)4MnK(Cl)–Cl 70.3 294.1 Kinetics 1989JON/MCD

(CO)4MnK(Br)–Cl 70.3 294.1
(continued)
Table 17.1.3 (continued) BDEs of MnK–X Bonds
BDEs (boldfaceZ
recommended data;
(CO)3MnK(h3-C3H5)–Cl 70.3 294.1 Kinetics 1989JON/MCD
(CO)4MnK(Cl)–Br 70.6 295.4 Kinetics 1989JON/MCD

(CO)4MnK(Br)–Br 70.6 295.4
(CO)4MnK(Cl)–I 55.0 230.1 Kinetics 1989JON/MCD

(CO)4MnK(Br)–I 55.0 230.1
(CO)3MnK(h3-C3H5)–I 57.2 239.3 Kinetics 1989JON/MCD
MnOK
3 –O 90.9G5.3 380G22 Derived from DfH0 1996NIST
in ref.
MnK(CO)x–CO
xZ2 (1) 28G6 117G25 CID (1) 1992SUN/SQU
(2) 28.4G3.0 119G13 (2) 1993SUN/WAN
3 (1) 36G6 151G25
(2) 41.1G3.0 172G13
4 (1) 45G6 188G25
(2) 40.6G3.9 170G16
(h5-C5H5)MnK(CO)x–
CO
xZ0 42.8G3.3 179G14 CID 1999SUN/SQU
1 27.7G2.6 116G11
17.2 Tc–X and TcC–X bonds

17.2.1 Tc–X bonds
Table 17.2.1 BDEs of Tc–X Bonds
BDEs (boldfaceZ
recommended data;
Tc–Tc (1) 78.9 330 Correlation 1986MOR

(2) 67.6 283
(CO)5Tc–Tc(CO)5 42.4G0.5 177.5G1.9 MS 1970JUN/SVE
Tc–O 131 548 Review 1990SIM/BEA

–C 134.8G6.9 564G29
17.2.2 TcC–X bonds

Table 17.2.2 BDEs of TcD–X Bonds
BDEs (boldfaceZ
recommended data;
(CO)5TcC–Tc(CO)5 42.2G1.2 176.6G4.8 MS 1970JUN/SVE
TcC–H 47.2 197.5 Review 1990OHA/GOD
TcC–CH2 (1) !111 !464 (1) ICR (1) 2004GON

–C2H2 (1) !76.4 !320
–C2H4 (1) 32.7–67 137–280
(2) 26 108.8 (2) Review (2) 1998SCH/SCH
–C3H4 (1) 32.7–69.2 137–290
–C3H6 (1) !70.5 !295
–C4H6 (1) O58.5 O245
–C5H6 (1) O67 O280
–C6H6 (1) O59.7 O250
(continued)
Table 17.2.2 (continued) BDEs of TcC–X Bonds
BDEs (boldfaceZ
recommended data;
TcC–O O40 O167 ICR 2004GON
Tc2C–CH2 !111 !464 ICR 2004GON

–C6H6 O59.7 O250
17.3 Re–, ReC–, and ReK–X bonds

17.3.1 Re–X bonds
Table 17.3.1 BDEs of Re–X Bonds
BDEs (boldfaceZ
recommended data;
Re–Re (1) 92G23 386G96 (1) Correlation (1) 1986MOR

(2) 103.2G7.1 432G30 (2) Spectroscopy (2) 1994HU/DON
(CO)5Re–Re(CO)5 (1) 51 214 (1) MS (1) 1970JUN/SVE

(2) 44.7 187 (2) Calorimetry (2) 1983ALT/CON
Re(111, surf.)–ReSi 17.3 72.4 FIM 1985WRI/HER
(CO)5Re–Mn(CO)5 (1) 50.3G2.3(2) 210G9.6 (1) MS (1) 1970JUN/SVE

(2) 35.6G2.6 149G11 (2) Derived (2) 1992CON
Re(100, surf.)–K 68.4G0.1 286.2G0.4 TPD 1997VER/ZHA
Re(1000, surf.)–La 138.1G4.6 578.9G19.3 TD 1975ION/MED(b)

–Ce 140.7G4.6 588.5G19.3
–Pr 119.9G6.9 501.7G28.9
–Nd 103.8G4.6 434.2G19.3
–Sm 99.2G6.9 414.9G28.9

–Eu 87.6G4.6 366.6G19.3
–Gd 119.9G6.9 501.7G28.9
–Tb 108.4G4.6 453.5G19.3
–Ho 113.0G6.9 472.8G28.9
–Er 115.3G4.6 482.4G19.3
–Tm 80.7G6.9 337.7G28.9
–Lu 106.1G6.9 443.8G28.9
(CO)5Re –Co(CO)5 27.0G3.6 113G15 Derived 1992CON
Re(1000, surf.)–Cu w47.8 w200 TDS 1999WAG/SCH
(CO)5Re–H (1) 74.7 312.5 (1) Electrochemical (1) 1991PAR/HAN

(2) 69 289 (2) Derived (2) 1992MIL/MIL
(3) 74.8 313 (3) Review (3) 2001TIL
(CO)5Re–Cl 75.0G4.5 314G19 Calorimetry 1983ALT/CON

–Br 67.6G2.6 283G11
Re–O 150G20 627G84 Review 1990SIM/BEA
Re(111, surf.)–O 125.0 523.0 Review 2003ZEI

Re(100, surf.)–O 131.3 549.4
Re(110, surf.)–O 135.0 564.8
(h5-C5Me5)ReO2–O 116.8G1.2 488.7G5 Calorimetry 1996GAB/JUL
Re(1000, surf.)–S 18.2 (phys) 76.2 STM 1993DUN/SAU
Re(1000, surf.)–S (1) 104 435 (1) AES/TDS (1) 1988KEL/GEL

(2) 95 397 (2) Review (2) 1995SEE/ALL
Re(111, surf.)–N 142.0 594.1 Review 2003ZEI

Re(100, surf.)–N 149.1 623.8
Re(110, surf.)–N 153.4 641.8
(continued)
Table 17.3.1 (continued) BDEs of Re–X Bonds
BDEs (boldfaceZ
recommended data;
Re(1000, surf.)–N 144 602 Review 1991BEN
Re(polycs. surf.)–H2 27.5 (phys) 115 TDS 1976DUC/EHR
Re(polycs. surf.)–H2 (1) 66 276 TDS (1) 1968POU/PRY

(2) 67 280 (2) 1976DUC/EHR
Re(polycs. surf.)–D2 27.5 (phys) 115 TDS 1976DUC/EHR
Re(polycs. surf.)–D2 67 280 TDS 1976DUC/EHR
Re(polysc. surf.)–O2 (1) 175 732 (1) Calorimetry (1) 1960BRE/HAY(b)

(2) 126.8G3.5 531G14 (2) TDS (2) 1968GRE/STI
(3) 127 531 (3) TDS (3) 1976WEB/ALN
(4) 85 356 (4) Review (4) 1982RAO/KAM
Re(polycs. surf.)–N2 67–74 280–309 TD 1969YAT/MAD
Re(1000, surf.)–N2 8 (phys) 33.5 Review 1991BEN
Re(polycs. surf.)–CO 24 (phys) 100 TD 1969YAT/MAD

29 122
Re(polycs. surf.)–CO (1) 54 226 TDS (1) 1967GAS/THW

(2) 47 197 (2) 1969YAT/MAD
(2) 57 239
(2) 63 264
Re(polycr. surf.)–CO 28 (phys) 117 TDS 1974ALN/EHR

Re(polycr. surf.)–CO 64.5 270 TDS 1974ALN/EHR
Re(0001, surf.)–CO 27 113 TPD 1977HOU/DUC
Re(10–10, surf.)–CO 23–28 (a-states) 95–118 LEED 2004PAU/PRZ

44–50 (b-states) 185–210
(CO)5Re–CH3 52.6G1.9 220G8 Calorimetry 1983ALT/CON
(L)Re(CO)2–THF
LZTp 23.9G0.9 100.0G3.8 Kinetics 2003BEN/MEZ
Tp* 24.0G0.9 100.4G3.8
TpZhydridotris(pyrazolyl)-
borate
Tp*Zhydridotris(3,5 dimethyl-
pyrazolyl)borate
THFZtetrahydrofuran
Re(100, surf.)–NH3 3.4G0.6 (phys.) 14.2G2.5 TPD 1993ROS/FAR
Re(1000, surf.)–NH3 21 87.9 TPD 1990ROS/ASS
(CO)5Re–SiMe3 71.5G2.3 299.1G9.6 Derived 1975BUR/STO

–GeMe3 73.8G2.3 308.7G9.6
–SnMe3 85.3G2.3 357.0G9.6
17.3.2 ReC–X bonds

Table 17.3.2 BDEs of ReD–X Bonds
BDEs (boldfaceZ
recommended data;
(CO)5ReC–Re(CO)5 45.7G1.2 191G5 MS 1970JUN/SVE

–Mn(CO)5 54.4G1.2 228G5
ReC–H 53.7G1.6 224.7G6.7 GIB 2004ARM/LI
(continued)
Table 17.3.2 (continued) BDEs of ReC–X Bonds
BDEs (boldfaceZ
recommended data;
ReC(CH3)(CO)5–H (1) 73G3 305.4G12.6 (1) Thermochemical (1) 1981STE/BEA

(2) 70.3G3.1 294G13 (2) Review (2) 1990SIM/BEA
ReC
2 ðCOÞ10 –H 58.8G1.7 246G7 Review 1990SIM/BEA
MnReC(CO)10–H !63.8G1.7 !267G7 Review 1990SIM/BEA
(L)(CO)2ReC–H
LZPMe2Ph 71.0 297.1 Electrochemical 1996WAN/ANG
PMe3 71.8 300.4
ReC–C 119.0G0.9 497.7G3.9 GIB MS 2004ARM/LI(b)

–CH 134.7G1.4 563.5G5.8
ReC–CH2 (1) 102G9 427G38 (1) ICR (1) 1991IRI/BEA

(2) 88.4–111 370–464 (2) ICR (2) 2003GON
(3) 95.5G1.4 399.4G5.8 (3) GIB MS (3) 2004ARM/LI(b)
ReC–CH3 51.2G3.0 214.2G12.5 GIB MS 2004ARM/LI(b)

–CH4 12.2G3.5 51.1G14.5
ReC–C2H4 30 125.5 Review 1998SCH/SCH
ReC–C3H4 O70.5 O295 ICR 2003GON

–C3H6 O69 O289
ReC(O)x–CH2
xZ1 O110 O460 ICR 2003GON
2 O118 O494
ReC(O)x–O
xZ0 (1) 102G17 427G71 ICR (1) 1991IRI/BEA
(2) 104G14 435G59 (2) 1996FIA/KIH
1 (2) !118 !494
2 (2) 122G4 510G17
O O w20 w84 Kinetics 2001ARI/NEW

+
N O
Re
O
N
O
O
(CO)5ReC–SiMe3 16.1 67.5 Derived 1977BUR/STO

–GeMe3 39.2 164
–SnMe3 39.2 164
Re2C–C3H6 O69 O289 ICR 2003GON
17.3.3 ReK–X bonds

Table 17.3.3 BDEs of ReL–X Bonds
BDEs (boldfaceZ
recommended data;
(CO)4(Cl)ReK–Cl 79.2 331.4 Kinetics 1989JON/MCD

–Br 70.6 295.4
–I 57.2 239.3
(CO)3(h3-C3H5)ReK–Cl 82.8 346.4 Kinetics 1989JON/MCD

–Br 70.6 295.4
–I 57.2 239.3
chapter eighteen
BDEs of Fe(FeG)–, Ru(RuC)–,

and Os(OsC)–X bonds
18.1 Fe–, FeC–, and FeK–X bonds

18.1.1 Fe–X bonds
Table 18.1.1 BDEs of Fe–X Bonds
BDEs (boldfaceZ
recommended data;
Fe–Fe (1) 25G5 105G21 (1) MS (1) 1969LIN/KAN

(2) 30.3 127 (2) PD (2) 1986BRU/ZHE
(3) 27.4G2.1 114.7G8.7 (3) CID (3) 1988LOH/LIA
(4) 21.6 90.6 (4) Review (4) 1996SMI/YAT
(5) 28.2 118 (5) Review (5) 2001ARM
Fe(Fe)x–Fe
xZ1 (1) 44.0 184 (1) Review (1) 2001ARM
2 (1) 50.4 211
3 (1) 51.9 217
4 (1) 73.1 306
5 (1) 71.9 301
6 (1) 53.8 225
7 (1) 67.4 282
8 (1) 66.0 276
9 (1) 74.3 311
10 (1) 81.3 340
(continued)
803
Table 18.1.1 (continued) BDEs of Fe–X Bonds
BDEs (boldfaceZ
recommended data;
11 (1) 99.7 417

12 (1) 69.3 290
13 (1) 86.8 363
14 (1) 77.9 326
15 (1) 74.1 310
16 (1) 72.2 302
17 (1) 84.1 352
N (2) 98.7 413 (2) Review (2) 1994ARM/HAL
Cl2Fe–FeCl2 35G3 146G13 Review 1970DAR

Br2Fe–FeBr2 40G4 167G17
F3Fe–FeF3 48.0 201 MS 1986SID/BOR
(CO)4Fe–Fe(CO)5 41.0 171.5 LP 1988SMI
R(CO)2Fe–Fe(CO)2R 25 104.6 Review 1994NOL

RZ(h5-C5H5)
R(CO)3Fe–Fe(CO)3R 13.5 56.5
RZ(C3H5)
Fe(100, surf.)–Fe (1) 10.4G1.8 43.4G7.7 STM (1) 1993STR/PIE

(2) w12 w48 (2) 1994STR/PIE
Fe(polycr. surf.)–K 54.0 225.9 TDS 1986ALB
Fe(110, surf.)–K (1) 57G2 238.5G8 TDS (1) 1981LEE/WEI

(2) 61.0 255.2 (2) 1986ALB
Fe(100, surf.)–K (1) 54G2 225.9G8
(2) 52.0 217.6
Fe(111, surf.)–K (1) 52G2 217.6G8
BDEs of Fe(FeG)–, Ru(RuC)–, and Os(OsC)–X Bonds 805
Fe–Cr w18 w75 Spectroscopy 2003LU/ZHA
Fe–Au 44.7G4.6 187.0G19.3 Review 1986MOR
Fe(H)x–H
xZ0 (1) 29.6G3 124G13 (1) Ion reactions (1) 1985SAL/LAN
(2) 43G6 180G25 (2) Ion reactions (2) 1986TOL/BEA
(3) 45.7G3.0 191.2G12.6 (3) GIB MS (3) 1988SCH/ELK
(4) 37.5G1.9 156.9G7.9 (4) GIB MS (4) 1990SCH/ARM
(5) 35.4G0.8 148G3 (5) Review (5) 1996ARM/KIC
2 (6) O74.8 O313 (6) Derived (6) 1991ARM/SUN
(CO)4Fe(H)x–H
xZ0 (1) R60G12 R251G150 (1) Review (1) 1991MIL/BEA
(2) 62G2 259.4G8.4 (2) TR-IR (2) 1996WAN/NAR
1 (1) %70G14 %293G59
(3) 67.6 282.8 (3) Electrochem. (3) 1991PAR/HAN
(4) 65.0 272 (4) Review (4) 1994NOL
(5) 67.6 283 (5) Review (5) 2001TIL
(h5-C5H5)(CO)2Fe–H (1) 57.1 238.9 (1) Electrochem. (1) 1991PAR/HAN

(2) 58.0 242.7 (2) Review (2) 1994NOL
(3) 57.1 239 (3) Review (3) 2001TIL
Fe(100, surf.)–H (1) 63.6 266 (1) TPD (1) 1977BOZ/ERT

(2) 59.5G2 248.9G8.4 (2) Thermochem. (2) 1992BUR/MAD
Fe(110, surf.)–H 64.6 270.5 TPD 1977BOZ/ERT

Fe(111, surf.)–H 62.1 260
Fe(211, surf.)–H 63.0 263.5 TPD 1995SCH/PEC
(continued)
BDEs (boldfaceZ
recommended data;
(FeO)–H (1) 80.9G4 338G17 (1) Derived from (1) 2003SCH/SCH

DfH0 in ref.
(2) 83.4G4.7 348.9G19.7 (2) Derived (2) This volume
(GaAs, crystal)Fe–H 19.1 80.1 DLTS 1996RAD/CON
Fe(F)x–F
1 123.5 517 DfH0 in ref.
2 122.1 511
Fe(Cl)x–Cl
xZ0 (1) 59G23 247G96 (1) Spectroscopy (1) 1968GAY
(2) 78.8G1.6 329.7G6.7 (2) MS (2) 1995HIL
DfH0 in ref.
1 (3) 122.7 513
2 (3) 55.8 233
Fe–Br 58G20 243G84 Review 1974GUR/KAR
Fe(I)2–I (1) 23 96 (1) Review (1) 1970DAR

DfH0 in ref.
Fe(Fe)x–O
xZ0 (1) 96.8G1.8 405.0G7.7 (1) MS (1) 1984SMO/DRO(b)
(2) 96.2G1.8 402.3G7.7 (2) Spectrometry (2) 1989MER
(3) 102.3G3.7 428G15 (3) Review (3) 1996ARM/KIC
(4) 96.1G1.4 402.2G5.8 (4) Derived (4) 2005MET/NIC
(5) 97.3G0.2 407.0G1.0 (5) PD (5) 2005CHE/PAR
1 (6) O111.6G3.7 O467G15 (6) GIB MS (6) 1989LOH/LIA
PFe(II)
PFe(IV) O 65–85 272–356 Derived 2005ROS/PIS
PZporphyrin
Fe(polysc. surf.)–O w118 w494 Calorimetry 1987PRI/BAU
Fe–S (1) 77.2G3.5 323.0G14.6 (1) MS (1) 1967DRO/PAT

(2) 78.6G3.5 328.9G14.6 (2) CID (2) 2002KOS/SCH(b)
Fe(100, surf.)–N 21.2G0.9 (phys) 88.8G3.9 STM 2000BAR
Fe(100, surf.)–N 142 594 Review 1991BEN

Fe(110, surf.)–N 141 590
Fe(111, surf.)–N 138 577
Fe–C (1) 81.7G4.6 341.8G19.3 Derived (1) 1997ANG/BER

(2) 89.9G6.9 376.3G28.9 (2) 1997BRU/MOR
Fe–Si 71G6 297G25 MS 1969MAH/MCL
Fe–Ge 50.4G7 210.9G29 MS 1968KAN/STR
Fe–H2 O22 O92 Est. by exp. 1984HAL/KLE

–HD O22 O92
–D2 O22 O92
Fe(polycr. surf.)–H2 (1) 34 142 (1) Calorimetry (1) 1953WAH/KEM

(2) 36 150 (2) Calorimetry (2) 1955BAG/TOM
(3) 20.3 84.9 (3) FDMS (3) 1972CHO/COU
(4) 23.4 98 (4) Calorimetry (4) 1978WED/GEU
(5) 23.2 97 (5) Calorimetry (5) 1991ZOM/RAN
–D2 (4) 24.9 104
(continued)
BDEs (boldfaceZ
recommended data;
Fe(100, surf.)–H2 20.7 86.6 TPD 1980BEN/MAD
Fe(110, surf.)–H2 26 109 Review 1978MAD/BED
Fe(110, surf.)–D2 14.0 58.8 Mol. beam 1985KUR/HUD
Fe–O2 O47.3 O198 TR LIF 1999PLA/ROL
Fe(polycr. surf.)–O2 (1) 135.8 568 (1) Calorimetry (1) 1960BRE/HAY

(2) 120 502 (2) Calorimetry (2) 1961WED
(4) 128 534 (4) Review (4) 1982RAO/KAM
(5) 117 490 (5) Calorimetry (5) 1992GAN/BOR
Fe(111, surf.)–O2 w119.5 w500 TDS 1992GAN/KIE
Fe(OH)x–OH
xZ0 (1) 76.9G4 321.7G16.7 (1) MS (1) 1980MUR
(2) 82.6G4.1 345.8G17 (2) MS (2) 1990GOR/MIL
(3) 82 343 (3) Derived (3) 1994HIL/LAU(b)
(4) 80.1G3 335G13 (4) Derived from (4) 2003SCH/SCH
DfH0 in ref.
1 (4) 111.9G4 468G17
Fe(CO)x–CO
xZ0 (1) 23.1G6.9 97G29 (1) PES (1) 1979ENG/LIN
(2) 8.1G3.5 33.9G14.6 (2) CID (2) 1992SUN/WAN
(3) 10.5G1.8 43.9G7.5 (3) PES (3) 1993VIL/LEO
1 (1) 23.1G6.9 97G29
(2) 36.7G3.5 153.6G14.6
2 (1) 32.3G6.9 135G29
(2) 29.1G5.8 121.8G24.3
3 (1) 4.6G9.2 19G39
(2) 27.9G8.8 116.7G36.8
4 (1) 55.3G11.5 231G48

(3B2 Fe(CO)4)
(4) 48G4 200.8G16.7 (4) LP (4) 1981SMI/LAL
(5) 41.5G2 173.6G8.4 (5) LP (5) 1984LEW/GOL
(1A1 Fe(CO)4)
(6) w42 w176 (6) Review (6) 2004DAM
Fe(C2H2)(CO)4–CO 21.0G0.5 88G2.3 Kinetics 1998PEA/COO
Fe(CO)3(PR3)–CO
RZMe O40.9 O171 PAC 1993NAY/BUR
Et O39.2 O164
Fe(CO)2(PMe3)–CO O29.8 O125 PAC 1993NAY/BUR
Fe(CO)3(PPh3)–CO !42.5G1.2 !177.8G5 Kinetics 1967SIE/ANG
Fe(CO)2(dmpe)–CO, O36.1 O151 PAC 1993NAY/BUR

dmpeZ1,2-bis
(dimethyl-
phosphino)ethane
Fe(polycr. surf.)–CO (1) 32 134 Calorimetry (1) 1955BAG/TOM

(2) 46 192 (2) 1965BRE/HAY
(3) 37 155 (3) 1987WED
(4) 50 210 (4) 1992GAN/KIE
Fe(100, surf.)–CO 12.8 (phys) 54 TPD 1987MOO/BER
Fe(100, surf.)–CO (1) 25.1 105 (1) TDS (1) 1980BEN/MAD

(2) 26.2 110 (2) TPD (2) 1987MOO/BER
(3) 26.3 110.0 (3) TPD (3) 1988CAM/DWY
Fe(110, surf.)–CO (1) 35.9 150 (1) LITD (1) 1982WED/RUH

(2) 37 155 (2) Review (2) 1990CAM(b)
(continued)
BDEs (boldfaceZ
recommended data;
Fe(111, surf.)–CO (1) 20G5 84G21 (1) TPD (1) 1989WHI/RIC

(2) 24 100 (2) Calorimetry (2) 1993WED/GAN(b)
Fe(111, surf.)O–CO 50.2 210 TDS 1992GAN/KIE
FePPIX–CO 2.6G0.5 11G2 FT IR 2005YE/YU

FePPIXZprotoheme
Myoglobin–CO (1) 4.3G0.5 18G2 (1) Pulsed LP (1) 1992TIA/SAG

(2) 4G3 16.7G12.6 (2) Review (2) 2006MIK/YOM
Fe–CO in myoglobin 34G4 142.3G16.7 PD 2005WAL/RAI
Fe(polycr. surf.)–CO2 (1) 68 285 Calorimetry (1) 1965BRE/HAY

(2) 67 280 (2) 1987WED
(3) 71.7 300 (3) 1993WED/GAN
Fe(CO)3(N2)–N2 9.0G4.6 37.7G19.2 RT-IR 2001WAN/LON

Fe(CO)4–N2 17.6G1.8 73.6G7.5
Fe(polycr. surf.)–N2 (1) 10 (phys) 42 Calorimetry (1) 1950BEE/COL

(2) 5! 21! (2) 1975WED/BOR
Fe(polycr. surf.)–N2 (1) 40 167 Calorimetry (1) 1950BEE

(2) 70 293 (2) 1955BAG/TOM
Fe(100, surf.)–N2 !7.5 (phys) !31 TDS 1982ERT/LEE(b)

Fe(100, surf.)–N2 58 243 TDS 1977BOZ/ERT(b)

Fe(110, surf.)–N2 50 209
Fe(111, surf.)–N2 (1) 7.5 (phys) 31.4 (1) TDS (1) 1982ERT/LEE
(2) w7.4 w31 (2) UPS (2) 1984GRU/GOL
Fe(111, surf.)–N2 51 213 TDS 1977BOZ/ERT(b)
FeO(111, surf.)–H2O 12.4G0.5 52G2 TDS 2002WEI/RAN

Fe3O4(111, surf.)–H2O 12 50
Fe–NH3 (1) 7.5G1 31.4G4.2 (1) MPI (1) 1990MIT/HAC

(2) 20.3G0.5 84.9G1.9 (2) FTR (2) 1993PAR/RIL
Fe(polycr. surf.)–NH3 44.9 188 Calorimetry 1953WAH/KEM
Fe–CH2 (1) 87G7 364G29 (1) PA (1) 1989JAC/GOR

–CH3 (2) 32.3G7 135G29 (2) Review (2) 1996ARM/KIC
(L)(OEP)Fe–CH3 Thermolysis 1996RIO/HAL

OEPZoctaethyl
porphyrinato
LZnone 21 88
Pyridine 20 84
PEt3 18 75
Fe(CO)4–C2H4 (1) 37.2 155.6 (1) LP (1) 1988SMI

(2) 36.3G4.3 152G18 (2) Review (2) 1990SIM/BEA
(continued)
BDEs (boldfaceZ
recommended data;
Fe(C2H4)(CO)3–C2H4 (1) R27G6 R113G25 Equilibrium (1) 1987MIL/GRA

(2) 21.3G2 89.1G8 (2) 1997HOU/WEI
Fe(polycr. surf.)–C2H4 68 284 Calorimetry 1950BEE/COL
Fe(100, surf. H2)–C2H4 8.5G2.0 36.0G8.4 TPD 1991BUR/MAD
Fe(C2F4)(CO)3–C2F4 R22 R92 Est. by exp. 1997HOU/WEI
Fe(C2Cl4)(CO)3–C2Cl4 R22 R92 IR 2000CED/WEI
Fe(110, surf.)–C2Cl4 12.7G2.6 53.1G10.9 TPD 1989SME/CHE
Fe(100, surf.)–C2H5 38G4 159G16.7 Thermochemical 1992BUR/MAD
(OEP)Fe–C2H5 17 71 Thermolysis 1996RIO/HAL

OEPZoctaethyl
porphyrinato
Fe–C3H5 52 218 Review 2003CED/WEI

–C3H6 19 79
Fe(CO)5–Ni(CO)4 9.0 37.7 Equilibrium 1983BAE/FED
Fe(CO)5–(h3-C3H5) 42.1 176 Review 1992CON

Fe(C3H6)(CO)3–C3H6 w19 w79.5 Est. by exp. 1995LON/WAN
(OEP)Fe 15 63 Thermolysis 1996RIO/HAL

–CH2C(CH3)3
OEPZoctaethyl
porphyrinato
Fe(h5-C5H5)x
–(h5-C5H5)
xZ0 (1) 67G5 280G21 (1) Review (1) 1990PUT/SMI
1 (2) 91.4G3.0 382.4G12.6 (2) VLPP (2) 1984LEW/SMI
Fe(1-C5H10)(CO)3 20.2G0.7 84.5G3 TR-IR 2000LON/WEI

–(1-C5H10)
Fe(DMB)(CO)3–DMB 15.2G3.8 63.6G15.9 TR-IR 2001WAN/WEI

DMBZ3,3-dimethyl
-1-butene
(OEP)Fe–C6H5 31 130 Thermolysis 1996RIO/HAL

OEPZoctaethyl
porphyrinato
Fe–C6H6 O16.1 O67.5 Derived 2001PAN/RAO

Fe–CH2C6H5
FeO(111, surf.) 13.1 (phys) 55 TDS 2002WEI/RAN

–C2H3C6H5
FeO(111, surf.) 10.5–12.4 44–52 TDS/UPS 1998ZSC/RAN

–C2H5C6H5 (a-state)
13.1–13.7 55–58
(b-state)
(continued)
BDEs (boldfaceZ
recommended data;
20.3–21.7 85–91
(g-state)
(h5-C5H5)(CO)2 45.4 190.1 MS 1978SPA

Fe–Si(CH3)3
(h5-C5H5)(CO) 51.4 215.2
(PMe3)2Fe–SiMe3
(h-C5H5)(CO)2Fe
–SnMe3 (1) 53.0 221.9 MS (1) 1978SPA
–SnPh3 (1) 59.5 248.9
(2) 54G9 226G38 (2) 1974CLA/RAK
–SnCl3 (1) 70.6 295.2
(h5-C5H5)(CO)2Fe 30.9G3 129.3G13 Review 1994NOL

–U(h5-C5H5)3
AcMP8–(CH3)2SO 18.7 78.2 Spectrometry 2003LUS/COW

–HO(CH2)2SCH3 16.0 66.9
AcMP8Zferric
N-acetyl-micropero-
xidase-8
18.1.2 FeC–X bonds

Table 18.1.2 BDEs of FeD–X Bonds
BDEs (boldfaceZ
recommended data;
FeC–Fe (1) 63.6G1.6 266.2G6.8 (1) CID (1) 1988LOH/LIA

(2) 62G5 259G21 (2) PD (2) 1987HET/FRE
(3) 63.2 264 (3) Derived (3) 1996SMI/YAT
(4) 62.2G3.0 260.4G12.5 (4) CID (4) 2000MAR/SUG
(5) 65.0 272 (5) Review (5) 2001ARM
FeC(Fe)x–Fe
xZ1 (1) 29.3 123 (1) PD (1) 1987HET/FRE
(2) 40.4 169 (2) CID (2) 2000MAR/SUG
2 (2) 51.6 216
3 (2) 62.1 260
4 (1) 27.0 113
(2) 75.3 315
5 (2) 76.5 320
6 (2) 60.2 252
7 (2) 67.2 281
8 (2) 67.9 284
9 (2) 73.6 308
10 (2) 79.8 334
11 (2) 97.5 408
12 (2) 67.2 281
13 (2) 90.1 377
14 (2) 76.2 319
15 (2) 77.2 323
16 (2) 74.3 311
17 (2) 89.1 373
N (3) 98.7 413 (3) Review (3) 1994ARM/HAL
(S)FeC(Fe)x–Fe
xZ0 90.4G2.8 378.2G11.6 CID 2002KOS/SCH(b)
1 57.0G4.2 238.3G17.4
2 59.5G6.7 249G28
3 65G11 272G47
(continued)
Table 18.1.2 (continued) BDEs of FeC–X Bonds
BDEs (boldfaceZ
recommended data;
(S2)FeC(Fe)x–Fe
xZ0 106.8G7.6 447G32 CID 2002KOS/SCH(b)
1 81G11 338G44
FeC(Cl)x–Fe
xZ1 95 397 Derived 2001SCH/LOO
2 79 331
3 56 234
4 57 238
5 63 264
6 15 63
FeC(O)–Fe O117G8 O490G34 FT-MS 1986JAC/FRE(b)
FeC(O)–Co O117G8 O490G34 FT-MS 1986JAC/FRE(b)
FeC–Mg O32G2 134G8 Est. by exp. 1991ROT/FRE
FeC–La 101G5 423G21 Ion reactions 1988HUA/FRE
FeC–Sc 79G5 331G21 Derived 1987HET/FRE

–Ti 84G6 351G25
–V 101G5 423G21
–Nb 91G5 381G21
–Ta 72G5 301G21
–Cr 75G7 314G29
–Co 62G5 259G21
–Ni 69G5 289G21
FeC–Cu 56G7 230G29 (1) Derived (1) 1987HET/FRE

–Ag 53G7 222G29 (2) FT-ICR (2) 1991NG/GOR
FeC–Ar (1) 12.3 51 (1) GDMS (1) 1995BAR/SMI

(2) 3.4G1.8 14.2G7.7 (2) CID (2) 2001TJE/WAL
FeC–Kr 8.0G1.6 33.5G6.7 CID 2001TJE/WAL
FeC–Xe (1) 10.0G1.4 41.8G6 (1) CID (1) 1995KHA/STE

(2) 11.7G1.8 49.0G8 (2) CID (2) 1997TJE/ARM
(3) 11.7G1.5 49.0G6.3 (3) Equilibrium (3) 1997DIE/HAR
(4) 11.0G1.4 46.0G5.8 (4) CID (4) 2001TJE/WAL
FeC–H (1) 59G5 247G21 Ion reactions (1) 1984HAL/KLE

(2) 58G2 242.7G8 (2) 1985CAS/FRE
(3) 48.9G1.4 204.6G6 (3) 1986ELK/ARM
(4) 47.6 199 (4) 1993EKE/HAG
(5) 50.5G2.3 211.2G9.6 (5) 2005LIY/ARM
FeC(O)–H (1) 106G4 444G17 (1) Thermochem. (1) 1986KAN/BEA

(2) 107 448 (2) Est. by exp. (2) 1986CAS/FRE
FeC(CO)x–H
xZ1 (1) 70.6 295 (1) MS (1) 1993EKE/HAG
(2) 28.6G5.5 120G23 (2) GIB MS (2) 1996TJE/ARM
2 (1) 63.6 266
3 (1) 74.8 313
4 (1) 74.8 313
5 (1) 71.0 297
FeC(H2O)–H 51.4G3.5 215G14 GIB MS 1996TJE/ARM
FeC(C)–H 88G10 368G42 Ion reactions 1986HET/FRE

FeC(CH)–H 82G5 343G21
FeC(h5-C5H5)–H 46G5 193G21 Ion reactions 1996BAK/JAC
(continued)
BDEs (boldfaceZ
recommended data;
(L)(CO2)2FeC–H
LZ(CO)3 (1) 74G5 310G21 (1) Thermochem. (1) 1981STE/BEA
(2) 71.5G3.6 299G15 (2) Review (2) 1990SIM/BEA
(h5-C5H5)(CH3) (1) 53G3 221.8G12.6
(2) 50.2G3.3 210G14
(L)FeC–H
LZ(h5-C5H5)2 (1) 54G5 226G21 (1) Thermochem. (1) 1981STE/BEA
(2) 51.4G5 215G21 (2) Review (2) 1990SIM/BEA
(3) 50.4G2.6 211G11 (3) Re-evaluated (3) 1992RIC
(h5-C5H8) (4) 46G5 192G21 (4) Photo- (4) 1990HUA/FRE
dissociation
(L)(CO)3FeC–H
LZ(PPh3)2 60.1 251.5 Electrochemical 1996WAN/ANG
(PMePh2)2 62.2 260.2
(PMe2Ph)2 64.9 271.5
(PMe3)2 66.1 276.6
Ph2P(CH2)3PPh2 61.5 257.3
Ph2P(CH2)PPh2 66.5 278.2
FeC(Fe)x–D
xZ0 (1) 49.7 208 (1) Review (1) 2001ARM
(2) 54.2 227 (2) Re-evaluated (2) 2003LIY/GRI
1 (1) 33.5 140
(2) 36.9 154
2 (1) 40.9 171
(2) 48.7 204
3 (1) 49.7 208
(2) 48.9 205
4 (1) 43.7 183
(2) 52.6 220
5 (1) 63.1 264
(2) 58.3 244
6 (1) 48.8 204
(2) 48.2 202
7 (1) 45.4 190

(2) 52.3 219
8 (1) 55.0 230
(2) 57.7 241
9 (1) 61.9 259
10 (1) 58.1 243
11 (1) 58.6 245
12 (1) 58.1 243
(2) 62.0 260
13 (1) 58.1 243
14 (1) 66.2 277
FeC(CO)–D 31.1G1.8 130G8 GIB MS 1995TJE/ARM

FeC(H2O)–D 52.1G2.8 218G12
FeC–F (1) 97G8 406G33 (1) Knudsen cell (1) 1985GOR/RYZ

(2) 86–101 360–423 (2) FT-ICR (2) 1992SCH/HRU
–Cl (3) O82 O343 (3) GIB MS (3) 1989FIS/SCH
–Br (3) O70 O293
(4) O69 O289 (4) Ion reactions (4) 1979ALL/RID
–I (3) O57 O239
(4) O71 O297
(5) 60G7 251G29 (5) High tem. MS (5) 1984GRA/ROS
FeC(H2)x–H2
xZ0 (1) 16.5 (lowest 69.0 Equilibrium (1) 1995BUS/KEM
configur.)
(2) 10.8G0.6 45.2G2.5 (2) 1999BOW/KEM
1 (1) 15.7G0.7 65.7G2.9
(2) 17.0 71.1
2 (1) 7.5G0.4 31.4G1.7
(2) 9.6 40.2
3 (1) 8.6G0.4 36.0G1.3
(2) 9.6 40.2
4 (1) 2.2G0.3 9.2G1.3
(2) 4.3 18.0
5 (1) 2.3G0.3 9.6G1.3
(2) 4.0 16.7
6 (2) 0.8 3.3
FeC–C (1) 94G7 393G21 PD (1) 1986HET/FRE

(2) 85.1G4.1 356.1G17.2 (2) 1997ANG/BER
(continued)
BDEs (boldfaceZ
recommended data;
FeC(Fe)x–C
xZ1 95.2G6.9 398.5G28.9 GIB MS 2001LIY/ZHA
2 122.4G3.2 512.3G13.5
3 134.7G0.9 563.5G3.9
4 135.6G1.2 567.3G4.8
5 133.5G2.3 558.6G9.6
6 124.5G3.5 521.0G14.5
7 129.8G3.5 543.1G14.5
8 135.1G3.7 565.4G15.4
9 138.1G4.2 577.9G17.4
10 139.5G4.6 583.7G19.3
11 136.5G4.2 571.2G17.4
12 141.8G5.1 593.4G21.2
13 143.9G4.8 602.1G20.3
14 138.4G6 578.9G25
FeC–CH (1) 101G7 423G29 (1) PD (1) 1986HET/FRE

–CH2 (1) 82G7 343G29
(2) 82.6G1.5 346G6 (2) GIB MS (2) 1992SCH/ARM(b)
(3) 81.5G1 341G4 (3) Review (3) 1996ARM/KIC
(4) %81.7G0.5 %342G2 (4) Photofrag. (4) 2000HUS/AGU
–CH3 (1) 65G5 272G21
(3) 54.7G1.2 229G5
(5) !69 !289 (5) Ion reactions (5) 1979ALL/RID
(6) 69G5 289G21 (6) Ion reactions (6) 1984JAC/FRE(b)
(7) 57.1G2.3 239G10 (7) GIB MS (7) 1989FIS/SCH
–CF2 (8) 48G4 201G17 (8) FT-ICR (8) 1998CHE/AUB
FeC(Fe)x–CD
2 117.8G2.3 493.0G9.6
3 117.6G6.9 492.1G28.9
4 121.3G5.1 507.5G21.2
5 123.1G3.9 515.2G16.4
6 112.5G5.5 470.8G23.2
7 117.1G5.8 490.1G24.1
8 116.0G8.1 485.3G33.8
9 114.1G9.2 477.6G38.6
10 131.4G7.1 550G30
11 129.1G8.5 540.3G35.7
12 137.2G8.1 574.1G33.8
13 146.4G9 612.7G37.6
14 132.6G9.2 554.8G38.6
FeC(Fe)x–CD2
2 68.5G2.1 286.6G8.7
3 80.7G2.1 337.6G8.7
4 78.4G2.1 328.0G8.7
5 w74 w310
6 70.8G2.1 296.2G8.7
7 74.7G2.1 312.6G8.7
8 80.5G2.1 336.7G8.7
9 83.2G2.1 348.3G8.7
10 83.9G2.1 351.2G8.7
11 82.8G2.1 346.4G8.7
12 82.1G2.1 343.5G8.7
13 82.6G2.1 345.4G8.7
14 82.3G2.1 344.4G8.7
RhFeC–CH2 78–93 326–389 PD 1987HUA/BUC
FFeC–CF2 17.9–34 75–142 Ion reactions 1998CHE/FRE(b)
FeC(CH3)–CH3 O38.2 O160 Review 1990SIM/BEA
(L)FeC(CO)–CH3
LZCO (1) 31.6G2.3 132G10 GIB MS (1) 1996TJE/ARM
H2O (1) 45.4G2.3 190G10
CH3 (2) 43.1G2.6 180G11 (2) 1992SCH/ARM
FeC(Fe)x–CD3
1 43.6G3.7 182.4G15.4
(continued)
BDEs (boldfaceZ
recommended data;
FeC(CH4)x–CH4
xZ0 (1) 13.7G0.8 57.3G3.3 (1) CID (1) 19\93SCH/ARM
(2) 17.5 73.2 (2) Equilibrium (2) 2001ZHA/KEM(b)
1 (1) 23.3G1 97.5G4.2
(2) 26.0 108.8
2 (1) 23.6G1.4 98.7G5.9
(2) 5.2 21.8
3 (1) 17.6G1.4 73.6G5.9
(2) w4.9 w21
N (3) w2 w8 (3) Extrapolate (3) This volume
FeC–C2H2 (1) 32G6 134G25 (1) PD (1) 1989MAC/JAC

(2) 38.0G0.5 159.0G2.1 (2) Ion reactions (2) 1995SCH/SCH
(3) 36G2 151G8 (3) IRMPD (3) 1997SUR/RAN
–C2H3 (4) 60.2G2.3 252G10 (4) Ion reactions (4) 1992SCH/ARM(b)
(5) 56.8G2.5 238G11 (5) Review (5) 1996ARM/KIC
–C2H5 (5) 55.7G2.1 233G9
–C2H6 (6) 15.3G1.4 64G6 (6) Ion reactions (6) 1992SCH/ARM
(7) 18G5 75G21 (7) KERD (7) 1988HAN/BEA
(8) 17.9G3 74.9G12.5 (8) KERD (8) 1995CAR/KOP
–(CH3)2 (5) 97.8G2.9 409G12
FeC(C2H4)x–C2H4
xZ0 (1) 34G2 142.3G8.4 (1) Ion reactions (1) 1983JAC/FRE
(2) 35G5 146.4G21 (2) KERD (2) 1989KOP/JAC
(3) 34.5 144.3 (3) Ion reactions (3) 1995SCH/SCH
(4) 39.9G1.4 166.9G5.9 (4) Ion reactions (4) 1996BAK/JAC
(5) 34.6G2.5 145G11 (5) GIB MS (5) 1998SIE/JAR
1 (5) 36.2G3.7 151G15
FeRhC–C2H2 O24 O100 PD 1987HUA/BUC

FeLaC–C2H2 O24 O100

FeLaC–C2H6 O33 O138 PD 1987HUA/BUC
FeC–C3H3 (1) 92G15 385G63 (1) Ion reactions (1) 1989BUC/FRE

–C3H6 (2) 39.6G1.5 166G6 (2) GIB MS (2) 1992SCH/ARM(b)
(3) 37.0G0.3 154.8G1.3 (3) FT-MS (3) 1995SCH/SCH
(4) 34.7G1.7 145G7 (4) Review (4) 1996ARM/KIC
–C3H6(cyclo) (4) 31.8G1.0 133.1G4
(5) 37G2 154.8G8 (5) Ion reactions (5) 1983JAC/FRE
(6) 37G5 155G21 (6) KERD (6) 1989KOP/JAC
–C3H6 (7) 85G5 356G21 (7) KERD (7) 1996FRE
(metallocyclic)
–C3H8 (3) 17.9G1 75G4

FeRhC–C3H4 O33 O138

–C4H8 O30 O126
FeC–1,3-C4H6 (1) 48G5 201G21 (1) PD (1) 1986HET/JAC

(2) !56 !234 (2) FT-MS (2) 1987TEW/FRE
–i-C4H8 (3) 39.1G0.5 163.6G2.1

FeLaC–C4H6 O56 O234
FeC(h5-C5H5)x–C5H5
xZ0 (1) O66 O276 (1) FT-MS (1) 1984JAC/FRE(c)
(2) O87G5 O364G21 (2) FT-MS (2) 1985JAC/FRE(d)
(continued)
BDEs (boldfaceZ
recommended data;
(3) 88G7 368G29 (3) PD (3) 1990HUN/FRE

(4) 93.2 390 (4) Multiphoto (4) 1992OPI/HAR
ionization
(5) 99.2G6.9 415G29 (5) TRPD (5) 1995LIN/DUN
1 (4) 106.3 444.8
(5) 85.3G6.9 357G29
FeC–C5H6 (1) 55G5 230G21 (1) PD (1) 1986HET/JAC

(2) 51 213G21 (2) FT-MS (2) 1988BUC/FRE
(3) 50G5 209G21 (3) KERD (3) 1990DEA/BEA
FeLaC–cyclo-C5H6 O50 O209 PD 1987HUA/BUC

FeRhC–cyclo-C5H6 O50 O209
FeC–(CH3)2 !56 !234 FT-MS 1987TEW/FRE

CHCHCH3
FeC–C6H4 (1) O66 O276 (1) Ion reactions (1) 1978DIE/CHA

(2) 76G10 318G42 (2) PD (2) 1989HUA/FRE
–C6H5 (1) O64 O268
(3) 71G5 297G21 (3) PD (3) 1996FRE
–C6H8 (4) 70G5 293G21 (4) KERD (4) 1990DEA/BEA
FeC(C6H6)x–C6H6
xZ0 (1) 58G5 243G21 (1) Ion reactions (1) 1984JAC/FRE(b)
(2) 55G5 230G21 (2) PD (2) 1986HET/JAC

(3) 48.6G2.0 203. 3G8.4 (3) Ion reactions (3) 1995SCH/SCH
(4) 49.6G2.3 207.5G9.6 (4) CID (4) 1995MEY/KHA
(5) 47 197 (5) FT-ICR (5) 2002GAP/DUN
1 (4) 44.7G3.8 187G16
(5) 58 243
(Cl)FeC(C6H6)x–C6H6
1 !30 !126
(Br)FeC(C6H6)x–C6H6
1 !30 !126
(I)FeC(C6H6)x–C6H6
1 !30 !126
FeRhC–C6H6 49–60 205–251 PD 1987HUA/BUC
FeLaC–C6H6 R49.3 R207 Derived 1988HUA/FRE

–CH3C6H5 R48.9 R204
FeC–phenyl (1) 71G5 297G21 (1) PD 1996XU/GAR

–s-benzyl (1) 63G5 264G21
(2) R55G5 230G21 (2) Ion reactions
–tolyl (1) 83G10 347G42
(2) R60G5 R251G21
–cycloheptatrienyl (1) %129G5 %540G21
(2) O73 O305
Fe+ ( )
Y
YZp-CH3 51.8G2.4 217G10 Kinetics 1998SCH/WES
(continued)
BDEs (boldfaceZ
recommended data;
p-C2H5 52.9G2.4 221G10

1,2-dimethyl 53.9G2.5 226G10
1,3-dimethyl 53.6G2.5 224G10
1,4-dimethyl 53.8G2.5 225G10
1,3,5-trimethyl 55.2G2.6 231G11
1,2,4-trimethyl 55.2G2.6 231G11
1,2,4,5-tetramethyl 56.6G2.7 237G11
Pentamethyl 57.8G2.7 242G11
Hexamethyl 58.9G2.8 246G12
Fe+ ( )
Y
YZOH (1) 50.0G2.5 209G10 (1) Kinetics (1) 1998SCH/WES

(2) 60G6 251G25 (2) Combined (2) 1999RYZ/DUN
(3) O57 O239 (3) Derived (3) 2002DUN
F (1) 45.1G2.7 189G11
CN (1) 47.8G2.5 200G10
NH2 (1) 54.0G2.9 226G12
1-F-2-methyl (1) 47.8G2.5 200G10
1-F-3-methyl (1) 47.4G2.5 198G10
1-F-4-methyl (1) 47.8G2.5 200G10
FeC–(cyclohepta O56 O234 FT-MS 1987TEW/FRE

-1,3,5-trine)
FeC–C10H8 (tetrlin) 53.1 222.2 FT-ICR 1995SEE/HER

–C10H10 (1,2- 52.2 218.4
dihydro-naphth.)
–C10H12 51.2 214.2
(naphthalene)
FeC–indole O48 O201 Combined 1999RYZ/DUN
FeC–C60 44G7 184G29 Ion reactions 1995KAN/BYU

FeC–O (1) 82.3G1.4 344.3G5.8 (1) GIB MS (1) 1989LOH/FIS

(2) %82.8 %346.4 (2) PD (2) 1999HUS/AGU
(3) 82.4 344.8 (3) Review (3) 2001ARM
(4) 81.0G1.4 339G6 (4) Review (4) 2003ARM
(5) 82.1G0.5 343.3G1.9 (5) UV PI (5) 2005MET/NIC
FeC(Fe)–O (1) O119 O498 (1) FT-MS (1) 1986JAC/FRE(b)

(2) 117.6 492 (2) Review (2) 2001ARM
FeC(Fe)x–O
xZ2 129.1 540 Review 2001ARM
3 136.0 569
4 131.5 550
5 126.9 531
6 120.0 502
7 129.1 540
8 131.5 550
9 133.8 560
10 138.4 579
11 142.9 598
12 136.0 569
13 149.9 627
14 140.8 589
15 140.8 589
16 133.8 560
FeC(O)–O (1) 90G14 377G59 Ion beam (1) 1982ARM/HAL

(2) 66 276 (2) 1994SCH/FIE
FeCoC
2 ðOÞx –O
xZ1 O85 O356 FT-MS 1986JAC/FRE(b)
2 O85 O356
3 !25 !105
RhFeC–O O85 O356 PD 1987HUA/BUC
FeC–2O O185G7 O774G29 FT-MS 1986JAC/FRE(b)
(continued)
BDEs (boldfaceZ
recommended data;
FeC(Fe)–2O (1) 221G17 925G71 (1) FT-MS (1) 1986JAC/FRE(b)

(2) 216.8 907 (2) Review (2) 2001ARM
FeC
x –2O
xZ3 258.4 1081 Review 2001ARM
4 274.4 1148
5 274.4 1148
6 276.8 1158
7 258.4 1081
8 262.9 1100
9 267.4 1119
10 265.3 1110
11 256.0 1071
12 251.4 1052
13 253.6 1061
14 260.5 1090
15 246.7 1032
16 230.6 965
FeC(Co)–2O 221G17 925G71 FT-MS 1986JAC/FRE(b)
FeC–OH (1) 73G3 305G13 (1) PD (1) 1984CAS/FRE

(1) 77G6 322G25 (1) PT
(2) 85.3G3 357G13 (2) CID (2) 1989MAG/DAV(b)
(3) 87.5G7 366G29 (3) Knudsen cell (3) 1990GOR/MIL
(4) 87.5G2.9 366G12 (4) Review (4) 1996ARM/KIC
(5) 86.0G2.3 360G10 (5) Evaluation (5) 2003SCH/SCH
FeC(CO)x–CO
xZ0 (1) 36.6G1.8 153G8 (1) CID (1) 1991SCH/CRE
(2) 31.8G3 133G12.6 (2) KERD (2) 1995CAR/KOP
(4) 30.9G0.9 129.3G3.9 (4) Re-evaluated (4) 1997TJE/ARM
(5) 32.6 137 (5) FT-ICR (5) 2003CAE/HEN
1 (1) 37.1G3.4 155G14
(4) 35.3G1.2 147.8G4.8

(6) 41.5G1.6 173.6G6.7 (6) PEPICO (6) 1990NOR/ALI
2 (1) 15.9G1.2 67G5
(4) 16.4G1.4 68.5G5.7
(6) 25.7G1.4 107.5G5.9
3 (1) 24.7G1.4 103G6
(4) 23.3G1.4 97.4G5.7
(6) 25.2G1.1 105.4G4.6
4 (1) 26.8G0.9 112.1G4
(4) 23.2G0.9 97.1G3.9
(6) 17.8G0.9 74.5G3.8
FeC(H)(CO)4–CO 30.1 126 MS 1993EKE/HAG
FeCD–CO 12.7G3.0 53G13 GIB MS 1995TJE/ARM
FeC(H2O)–CO 36.6 153.3 FT-ICR 2003CAE/HEN
FeC(CH3)–CO 8.3G3.2 35G14 GIB MS 1996TJE/ARM
FeC(CO2)x–CO2
xZ0 (1) 8G2 33.4G8 (1) Ion reactions (1) 1994STO/SCH
(2) 9.5G2 39.7G8 (2) Ion reactions (2) 1995SCH/HEI
(3) 13.0G1.3 54.4G5.4 (3) Equilibrium (4) 1997DIE/HAR
(4) 14.3G0.9 59.8G3.9 (4) CID (4) 2001TJE/WAL
(5) 17.8G1.8 74.3G7.7 (5) CID (5) 2005ARM/KOI
1 (5) 29.1G2.1 121.6G8.7
2 (5) 8.8G1.8 36.7G7.7
3 (5) 21.4G3.0 89.7G12.5
4 (5) 16.4G1.4 68.5G5.8
(CH3O)FeC–CO2 w14.3 w60 Est. by exp. 2004KOS/SCH(b)
FeC(H2O)x–H2O
xZ0 (1) 32.8 137.2 (1) CID (1) 1989MAR/SQU
(2) 31.5G1.2 131.8G5.0 (2) CID (2) 1994DAL/HON
(3) 30.8G0.2 128.9G0.8 (3) FT-ICR (3) 1995SCH/SCH
(4) 30.6G1.2 128.0G5.0 (4) CID (4) 1996ARM/KIC
(5) 32.3G4.6 135.1G19.3 (5) CID (5) 2001POI/PRA
(continued)
BDEs (boldfaceZ
recommended data;
1 (1) 40.8 170.7

(2) 39.3G1.0 164.4G4.2
(4) 39.3G1.0 164.4G4.2
(6) 38.0 159.0 (6) CID (6) 1989MAG/DAV(b)
2 (2) 18.3G0.9 76.6G3.8
(4) 18.2G0.9 76.1G3.8
3 (2) 11.8G1.6 49.4G6.7
(4) 19.6G1.2 82.0G5.0
FeC(D)–H2O 32.7G3.2 137G14 GIB MS 1995TJE/ARM
FeC(CH3)–H2O 21.4G3.0 90G13 GIB MS 1996TJE/ARM
HeminC(H2O)x–H2O
heminZFe(III)
protoporphyrin
xZ0 (1) 5.9G1.0 24.9G4.1 (1) ESI (1) 2005NON/IWA
1 (1) 7.8G1.4 32.6G5.9
2 (1) 9.2G1.7 38.4G7.1
3 (1) 10.1G2.0 42.1G8.4
4 (1) 10.6G1.8 44.5G7.5
5 (1) 11.0G1.9 45.9G8.0
6 (1) 11.3G1.5 47.3G6.1
7 (1) 11.8G1.2 49.3G4.8
8 (1) 12.0G1.1 50.6G4.7
9 (1) 12.2G1.1 51.1G4.4
10 (1) 12.1G0.9 50.8G3.7
11 (1) 11.9G0.8 49.9G3.5
12 (1) 11.6G0.7 48.4G3.1
13 (1) 11.5G0.6 48.1G2.4
14 (1) 11.0G0.2 46.0G1.0
HeminCHis(H2O)x–
H2O,
heminCHisZ
heminC-histidine
xZ0 (1) 5.9G1.1 24.8G4.5 (1) ESI (1) 2005NON/IWA
1 (1) 7.1G1.5 29.9G6.5

2 (1) 8.4G1.9 35.1G7.8
3 (1) 9.3G2.2 39.0G9.3
4 (1) 9.6G2.0 40.2G8.2
5 (1) 10.3G2.1 43.2G8.8
6 (1) 10.5G1.6 43.9G6.7
7 (1) 10.6G1.3 44.4G5.3
8 (1) 10.8G1.2 45.2G5.2
9 (1) 11.2G1.2 46.9G4.9
10 (1) 11.4G1.0 47.9G4.1
11 (1) 11.4G0.9 47.7G3.8
12 (1) 11.4G0.8 47.9G3.4
13 (1) 11.0G0.6 46.2G2.6
14 (1) 10.9G0.3 45.5G1.1
[(EDTA)Fe(OH)] 1.6G0.1 6.8G0.4 Review 2005KRY/AKI

–H2O2
FeC–furan 48 201 FI-ICR 2004GRI/MAN
FeC(Fe)x–N
xZ1 (1) 116.0G10.4 485G43 Ion reactions (1) 2003LIY/GRI
2 (1) 108.8G3.5 455G14
3 (1) 122.0G3.9 510G16
(2) 125.9G6 527G25 (2) 2006TAN/LIU
4 (1) 107.7G5.3 451G22
(2) 133.3G6 558G25
5 (1) 101.5G6.2 425G26
(2) 118.1G6 494G25
6 (1) 91.5G7.6 383G32
(2) 112.5G6.5 471G27
7 (1) 99.6G7.1 417G30
(2) 113.0G6.9 473G29
8 (1) 95.7G6.7 400G28
(2) 116.5G7.4 487G31
9 (2) 119.7G7.8 501G33
10 (2) 126.4G10.4 529G43
11 (2) 128.0G11.5 535G48
12 (2) 110.5G11.0 462G46
13 (2) 129.4G10.1 541G42
14 (2) 109.1G11.3 456G47
15 (2) 119.5G11.8 500G49
16 (2) 107.7G10.1 451G42
(continued)
BDEs (boldfaceZ
recommended data;
17 (2) 117.4G5.5 491G23

18 (2) 106.1G3.2 444G14
FeC(N2)x–N2 (1) 10.5G2 44G8 (1) Ion reactions (1) 1995SCH/HEI

xZ0 (2) 12.9G1.4 54G6 (2) CID (2) 1997TJE/ARM
(3) 13.4G1.1 56G5 (3) Equilibrium (3) 1997DIE/HAR
(4) 12.7G0.9 53G4 (4) CID, revised (4) 2001TJE/WAL
1 (4) 19.8G2.1 83G9
2 (4) 10.8G1.4 45G6
3 (4) 12.9G0.9 54G4
4 (4) 14.8G0.9 62G4
FeC(Fe)x–ND
xZ1 78.9 330 Ion reactions 2003LIY/GRI
2 108.8 455
3 126.8 531
4 107.9 452
5 97.3 407
6 95.0 398
7 99.2 415
8 101.0 423
9 104 434
10 111.1 465
11 98.0 410
FeC–NO 34–58 142–243 Ion reactions 1985CAS/FRE
FeC–NCH (1) 39G2 163G8 (1) Ion reactions (1) 1994STO/SCH

–NH (2) 54G14 226G59 (2) Ion reactions (2) 1988BUC/GOR
(2) 61G5 255G21 (2) PD
(3) 69G2 289G8 (3) Ion reactions (3) 1998BRO/KRE
(4) 63.6G2.1 266.3G8.7 (4) GIB MS (4) 2005LIY/ARM
–NH2 (4) 66.4G2.8 277.9G11.6
(5) 67G12 280G50 (5) Ion reactions (5) 1988BUC/FRE
(6) 73.9G2.3 309G10 (6) Re-evaluated (6) 1996ARM/KIC
FeC(Fe)x–ND2
xZ0 66.9–69.6 280–291 Ion reactions 2003LIY/GRI
1 52.8 221
2 62.3 261
3 66.0–67.8 276–284
4 61.3 257
5 76.3 319
6 74.3 311
7 74 310
FeC(NH3)x–NH3
xZ0 (1) 38.5 161 CID (1) 1989MAR/SQU
(2) 44.0G2.9 184G12 (2) 1998WAL/ARM
1 (1) 48.7 204
(2) 54.3G2.9 227G11
2 (2) 16.5G3.6 69G15
3 (2) 10.5G1.7 44G7
FeC(Fe)x–ND3
xZ0 49.8 208 Ion reactions 2003LIY/GRI
1 31.8–43.3 133–181
2 46.1–48.8 193–204
3 22.9–38.7 96–162
4 54.9 230
5 34.8 146
7 39.9 167
8 42.2 177
FeC–pyridine (1) 49G3 205.0G12.6 (1) Kinetics (1) 1996MA/WON

(2) 53.8G2.1 225.0G8.9 (2) CID (2) 2000ROD/STA
(3) 49.4G2.4 206.7G10 (3) Kinetics (3) 2001SCH/SCH(b)
(4) 50 209.2 (4) Derived (4) 2003DIE/TRA
FeC–pyrimidine 47.8G1.9 199.8G7.8 CID 2001AMU/ROD
HeminC(pyridine)x
–pyridine
heminZFe(III)
protopor
phyrin
xZ0 (1) 24.6G0.1 102.9G0.5 (1) ESI (1) 2005NON/IWA
(continued)
BDEs (boldfaceZ
recommended data;
1 (1) 13.3G0.8 55.6G3.2

2 (1) 9.0G0.5 37.8G2.0
3 (1) 8.8G0.1 36.9G0.5
FeC(pyrrole)x–pyrrole
xZ0 (1) 48G5 201G21 (1) CID (1) 1996BAK/JAC
(2) 54.1 226 (2) Kinetics (2) 2000GAP/YAN
1 (2) 41.5 173.6
FeC–quinoxaline 47G5 197G21 FT-ICR 1999CHE/JAC

FeC–2,3 87G10 364G42
-didehydropyrazine
FeC–OSiH3 72G4 301G17 FT-ICR 1999BRO/SCH
FeC(CH2O)x–CH2O
xZ0 (1) 33.4G0.2 139.7G0.8 (1) Ion reactions (1) 1995SCH/SCH
(2) 33.0G1.6 138.0G6.8 (2) CID (2) 1997TJE/ARM
(3) 34G2 142G8 (3) CID (3) 1997CHE/CHE
1 (2) 41.3G1.8 172.7G7.7
2 (2) 24.4G1.2 102.3G4.8
3 (2) 19.1G1.4 80.1G5.8
FeC–CH3CHO 35.7G0.3 149.4G1.3 Ion reactions 1995SCH/SCH

–C3H6O 41.4G0.7 173.2G2.9
FeC(S)x–S
xZ0 (1) 65G6 272G25 (1) PD (1) 1989MAC/JAC
(2) 71.0G0.9 297G4 (2) CID (2) 1996HAR/HEI
(3) 70.6G1.4 295.2G5.8 (3) CID (3) 1999SCH/KRE
1 (3) 82.8G2.8 346G12
2 (4) 61.8G9 258.6G37.6 (4) Derived (4) 2003KRE/SCH
FeC
n ðSÞx –S, nZ3–6; R74 R308 Derived 2004KOS/SCH(c)
xZ0–4
FeC(Fe)x–S
xZ1 97.3G1.2 407.2G4.8 CID 2002KOS/SCH(b)
2 113.9G2.8 476.6G11.6
3 122.0G3.9 510.4G16.4
4 124.8G9 522G38
SFeC(Fe)x–S
xZ1 103.8G5.5 434.2G23 CID 2002KOS/SCH(b)
2 127.5G8.1 533.6G34
FeC–SH 66.0G2.6 276G11 CID 1999BAR/KRE

–SD 66.0G2.6 276G11
FeC(S)x–S2
xZ0 (1) 48G5 201G21 (1) PD (1) 1989MAC/JAC
(2) 53.3G2.8 223G12 (2) CID (2) 1999SCH/KRE
1 (1) 49G5 205G21
2 (1) 49G5 205G21
3 (1) 43G5 180G21
4 (1) 38G5 159G21
FeC–CS (1) 55.3G2.8 231.6G11.6 CID (1) 1999SCH/KRE

(2) 49.5G3.1 207G13 (2) 2000ROD/ARM(b)
FeC(CS2)x–CS2
xZ0 39.7G1.1 166.1G4.6 Ion reactions 1996CAP/FEN
1 45.0G1.4 188.3G5.9
FeC–CH2S 37w50 155w209 CID 1997CHE/CHE
FeC–C4H4S 48G5 201G21 Ion reactions 1996BAK/JAC

–C4H5N 48G5 201G21
(continued)
BDEs (boldfaceZ
recommended data;
–C4H6 48G5 201G21
FeC(c-C5H5)–C4H4O O46G5 O193G21 Ion reactions 1996BAK/JAC

–C4H4S O46G5 O193G21
FeC–CH3CN 41.3G0.7 172.8G2.9 Ion reactions 1995SCH/SCH
(h5-C5H5)2FeC
–CH3CN 11.4 47.7 HP MS 1989MEO
–2CH3CN 9.1 38.1
–(CH3)2O O9 O38
(h5-C5H5)2FeHC 12.9 54.0 HP MS 1989MEO

–CH3CN
(CO)5HFeC–CH3CN 16.8 70.3 HP MS 1991ALL/CRA
HeminC(Me2SO)x
–Me2SO
xZ0 (1) 27.7G5.8 115.8G24.1 (1) ESI (1) 2002NON/TAN
1 (1) 18.4G3.5 77.2G14.5
2 (1) 14.8G2.3 61.7G9.6
3 (1) 13.8G2.3 57.9G9.6
4 (1) 12.9G2.3 54.0G9.6
(h5-C5H5)2FeC–L
LZC6H6 O8 O34 HP MS 1989MEO
N,N-dimethyl-4- 12.2 51.0
toluidine
(h5-C5H5)2Fe 12 50
FeC–adenine 62.9G2.2 263G9 GIB MS 2002ROD/ARM
FeC–imidazole 58.8G3.3 246.1G13.8 CID 2004RAN/AMU
FeC–Si (1) 66.2G2.1 277G9 (1) GIB MS (1) 1995KIC/ARM(b)

–SiH (1) 60.6G3 254G13
–SiH2 (1) 43.3G2.1 181G9
(2) 55–79 230–331 (2) FT-MS (2) 1993JAC/BAK
–SiH3 (1) 43.8G2.1 183G9
FeC–Si(CH3)H 56–78 234–326 FT-MS 1993JAC/BAK

–CH2SiH2 55–70 230–293
–Si(CH3)2 60–77 251–322
–CH2Si(CH3)H 55–71 230–297
–CH2Si(CH3)2 55–73 230–305
FeC
2 –H 52G16 218G67 CID 1987FOR/LEC
FeC
2 ðClÞx –Cl
xZ0 111 464 Derived 2001SCH/LOO
1 93 389
2 56 234
3 55 230
4 62 259
5 15 63
FeC
2 ðCOÞx –CO
xZ0 24.2G2.1 101.3G8.7 CID 2000MAR/SUG
1 28.4G2.4 118.7G9.6
2 29.7G2.1 124.5G8.7
3 28.8G2.1 120.6G8.7
4 18.7G1.8 78.2G7.7
5 25.4G1.8 106.1G7.7
6 18.9G2.5 79.1G10.6
7 7.6G1.8 31.8G7.7
8 24.9G2.5 104.2G10.6
Fe2C(C6H6)x–C6H6
xZ0 116.2G7.4 486.3G30.9 CS MS 2001SCH/SCH(b)
(continued)
BDEs (boldfaceZ
recommended data;
1 63.2G7.8 264.4G32.8
Fe2C–O 118.8G1.2 497G5 GIB MS 1989LOH/LIA
Fe2C–OH 58G12 243G50 FAB 1993MCC/LEB
Fe2C–O2 118.8G3.5 497G14 GIB MS 1989LOH/LIA
Fe2C(bpy)(CH3OH)x
–(CH3OH)
bpyZtris(2,2 0 -
bipyridyl)
xZ1 (1) 11.9 49.8 (1) PD (1) 1997SPE/BUR
2 (1) 11.8 49.5
3 (1) 10.7 44.6
4 (1) 10.1 42.3
5 (1) 9.3 39.1
Fe3C–O O119.2G0.2 O498.8G GIB MS 1989LOH/LIA

0.8
18.1.3 FeK–X bonds

Table 18.1.3 BDEs of Fe––X Bonds
BDEs
FeK–Fe (1) 44.7G2.1 187.0G8.7 (1) CID (1) 1988LOH/LIA

(2) 37.8 158.1 (2) Derived (2) 1996SMI/YAT
(3) 42.1G0.2 176.1G1.0 (3) Derived from EA (3) 1996NIST
in ref.
FeK(H)x–H
xZ0 (1) 47.3G3 197.9G12.6 Derived (1) 1985SAL/LAN
(2) 56.2G4.1 235G17 (2) 1991ARM/SUN
1 (2) O75 O314
FeK(CO)4–H 70G14 293G59 Review 1991MIL/BEA
(CO)4FeK–Cl (1) O72.9 O305 (1) PES (1) 1984MCD/SCH

(2) 70.3 294 (2) Kinetics (2) 1989JON/MCD
–Br (1) O69.2 O290
(2) 70.6 295.4
–I (1) O53.6 O224
(2) 55.0 230.1
FeK–O 132 552 MS 1996HAR/HEI
FeK(CO)x–CO
xZ0 (1) 33.7G3.5 141.0G14.6 (1) CID (1) 1992SUN/SQU
(2) 33.3G8.1 139G34 (2) PES (2) 1993VIL/LEO
1 (1) 35.7G3.5 149.4G14.6
2 (1) 42.4G3.5 177.4G14.6
3 (1) 41.7G2.5 174.5G10.5
(h5-C5H5)FeK(CO)–CO 44.9G3.8 188G16 CID 1999SUN/SQU
FeK(CO)4–CHO (1) 44.7G8.6 187G36 Review (1) 1990SIM/BEA

(2) w41 w172 (2) 2004DAM
FeK–S O103 O431 Derived 1989SAL/LAN

FeK–SH 83G9 347G38
18.2 Ru– and RuC–X bonds

18.2.1 Ru–X bonds
Table 18.2.1 BDEs of Ru–X Bonds
BDEs (boldfaceZ
recommended data;
Ru–Ru (1) 74.5 312 (1) Correlation (1) 1986MOR

(2) 46.1G4.6 193.0G19.3 (2) Raman (2) 1997WAN/LIU
Ru(100, surf.)–Li 10.6 (phys) 44.4 NMR 1996EBI/JAN
Ru(100, surf.)–Li 73.7 308.3 NMR 1998EBI/ARN
Ru(100, surf.)–K (1) 19.8G1.2 83G5 (1) LEED (1) 1985WEI/UMB

(phys)
(2) 9.0G0.4 37.7G1.7 (2) LITD (2) 1993WES/BRO
Ru(100, surf.)–K 42 176 Review 1995SEE/ALL
Ru(1000, surf.)–Cs 71.5 299.1 TPD 1996PAY/MCK
Ru–Ce 118.0G2.9 494G12 MS 1989CHA/GIN
Ru–Th 141.4G10 592G42 MS 1974GIN
Ru–V 98.9G6.9 414G29 Review 1986MOR
Ru(1000, surf.)O–Cu 20.8 86.8 STM 1999WOL/MEI
Ru(100, surf.)–Ag 57.4G1.2 240G5 TDS 1987NIE/DOL

Ru(100, surf.)–Au 93.2G1.2 390G5 TDS 1987NIE/DOL
Ru(1000, surf.)–Kr 3.5 14.7 TDS 1992SCH/MEN
Ru(1000, surf.)–Xe (1) 5.3 22.2 (1) TDS (1) 1992SCH/MEN

(2) 14.8G0.7 61.7G2.9 (2) Photoemmis. (2) 2000BER/HOF
Ru–H (1) 56G5 234G21 Ion reactions (1) 1986TOL/BEA

(2) 53.3G3.5 223G15 (2) 1999ARM/CHE
Ru(100, surf.)–H (1) 4.0G0.5 16.7G2.1 LITD (1) 1986MAK/BRA

(phys)
(2) 3.6G0.5 15.1G2.1 (2) 1987MAK/BRA
Ru(100, surf.)–D 4.1G0.5 (phys) 17.2G2.1 LITD 1987MAK/BRA
Ru(100, surf.)–H (1) 67 280 TDS (1) 1985FEU/MEN

(2) 29.5 123.4 (2) 1995JAC/MEN
Ru(1000, surf.)–H 66.0 276 Review 1998CHR
Ru(1010, surf.)–H 61.2 256 Adsorption 1989LAU/SCH
(CO)2(h5-C5H5)Ru–H 64.9 271.5 Electrochemical 1991PAR/HAN
(PMe3)2(h5 40.0 167.4 Review 1992DRA/WON

-C5Me5)Ru–H
Ru(F)x–F
xZ0 96.1 402 MS 1988HIL/LAU
1 110.9 464
2 81.0 339
3 86.3 361
(continued)
Table 18.2.1 (continued) BDEs of Ru–X Bonds
BDEs (boldfaceZ
recommended data;
(CO)2(h5-C5Me5)
Ru–Cl 80.7 337.6 Derived 1995LUO/LI
–Br 61.1 255.6
–I 55.6 232.6
(h5-C5Me5)
(PMe3)2Ru–Cl !33 !138 Kinetics 1989BRY/DOM
–Br !36 !151
–I !36 !151
Ru–O 126G10 528G42 Review 1990SIM/BEA
Ru(100, surf.)–O 99.5 416 Review 1991BEN

Ru(101, surf.)–O 95.4 399
Ru(1000, surf.)–O 104 435 TPS 1988KEL/GEL
Ru(1000, surf.)–N 21.7 (phys) 90.7 STM 1996ZAM/TRO
Ru–C 155G3 648G13 Review 1990SIM/BEA

–C2 124 519
Ru–Si 94.9G5 397G21 MS 1970MAH/PEE
Ru–B 106.8G5 447G21 MS 1970MAH/PEE

Ru(dmpe)2–H2 63.5G2.0 265.7G8.4 PAC 1993BEL/SCA

dmpeZ1,2-
bis(dimethyl)
phos-phinoethane
Ru(100, surf.)–H2 3.6G0.5 (phys) 15.0G2.1 LITD 1987MAK/BRA

–D2 4.1G0.5 17.2G2.1
Ru(100, surf.)–H2 30 126 TPD 1985FEU/MEN
Ru(1120, surf.)–H2 (1) 17.5 73 (1) Review (1) 1978MAD/BEN

Ru(1010, surf.)–H2 (2) 19.1 80 (2) LEED (2) 1989LAU/SCH
Ru–O2 74.1G1 310G4 Torsion-effusion 2004BRU/SCA
Ru(surf.)–O2 52.6 220 Review 1982RAO/KAM
(h5-C5Me5)
(PMe3)2Ru–OH (1) !29 !121 (1) Kinetics (1) 1989BRY/DOM
(2) 48.9 204.6 (2) Review (2) 1992DRA/WON
–SH (1) !33 !138
(2) 21.5 90.0
–CN (2) 63.0 263.6
(CO)4Ru–CO 27.5G0.4 115G1.7 Kinetics 1980HUQ/POE
Ru(C2H2)(CO)4–CO 24.9G0.6 104G2.4 Kinetics 1998PEA/COO
Ru(PPh3)(CO)3–CO 30.1 125.9 Kinetics 1980HUQ/POE
Ru(dmpe)2–CO 43.0G2.0 179.9G8.4 PAC 1993BEL/SCA

dmpeZ1,2-
bis(dimethyl)
phosphinoethane
(continued)
BDEs (boldfaceZ
recommended data;
Ru(100, surf.)–CO 11 (phys) 46 LITD 1989DEC/BRA
Ru(100, surf.)–CO (1) 38.2G1.4 160G4 (1) TPD (1) 1983PFN/FEU

(2) 35.9 150 (2) TPD (2) 1989LAU/SOL
(3) 34 142.3 (3) TPD (3) 1990BRA/ARE(b)
(4) 38 159 (4) FT-IRAS (4) 1991HOF/WEI
(5) 30 125.5 (5) FT-IRAS (5) 1991PED/GOO
Ru(1010, surf.)–CO (1) 31.2 130.5 Review (1) 1978MAD/BEN

(2) 28 117 (2) 1991BEN
Ru(1120, surf.)–CO 29 121 Review 1978MAD/BEN
Ru(1011, surf.)–CO 28 117 Review 1978MAD/BEN
Ru(1120, surf.)–CO 21.3–24.6 89–103 TDS 2001WAN/WAN
Ru(001, surf.)K–CO 18.4 77.2 TDS 1985PAO/HRB
Ru(1000, surf.)Cu–CO 17.1 71.4 Mol. beam 1999KNE/GEM
Ru(dmpe)2–N2 18.8G2.0 78.7G8.4 PAC 1993BEL/SCA

dmpeZ1,2
-bis(dimethyl)
phos-phinoethane
Ru(100, surf.)–N2 8 (phys) 33 LEED 1983ANT/AVE

Ru(1000, surf.)–N2 (1) 44.0G0.5 184.1G2.1 (1) Kinetics (1) 1987TSA/WEI

(2) 45.4 190 (2) TDS (2) 1995SHI/JAC
Ru(1000, surf.)–N2 (3) 34.7 (step 145 (3) TPD (3) 2000DAH/TOR
site)
Ru(1010, surf.)–N2 (1) 28.6G2.4 120G10 TDS (1) 1997DIE/JAC

Ru(1121, surf.)–N2 (2) 27.5 115 (2) 2001JAC/WAN
Ru(1120, surf.)–N2 (3) 28.6G4.8 120G20 (3) 2004WAN/JAC
Ru(100, surf.)–NH3 21.4 89.5 TDS 1983BEN/MAD
(h5-C5Me5)
(PMe3)2Ru–CH3 (1) !40 !167 (1) Kinetics (1) 1989BRY/DOM
(2) 34.0 142.3 (2) Review (2) 1992DRA/WON
–C2H5 (2) 29.0 121.3
RuO2(110, surf.) 24 100.4 Re-anal. 2001MAD/IDR

–H2CO
RuO2(100, surf.)–C2H4 11.6G1 48.5G4 HR-EELS 1986HIL/PAR
Ru(oep)(C2H5)–C2H5 21.7G1.5 90.8G6.3 Kinetics 1986COL/WHI

oepZ2,3,7,8,12,13,17,
18-octaethylpor
phyrinato anion
(h5-C5Me5)(PMe3)2 33.9 141.8 Review 1992DRA/WON

Ru–OCH3
Ru(100, 2!2, w16 w67 TDS 1986ANT/PAR

surf.)–HCOH
(h5-C5Me5) (1) !36 !151 (1) Kinetics (1) 1989BRY/DOM

(PMe3)2Ru–L (2) 28.7 120 (2) Review (2) 1992DRA/WON
LZCH2COCH3
(continued)
BDEs (boldfaceZ
recommended data;
Ru(100, surf.) 16 67 Review 1988SHU

–(CH3)2CO
Ru(100, surf.) 8.8–9.3 37–39 TDS 1990LEA/THI

–(C2F5)2O
Ru(100, surf.)–C3H8 3 (phys) 13 LITD 1990BRA/ARE
Ru(100, surf.)–C3H8 11.0G0.5 46.0G2.1 LITD 1990BRA/ARE
Ru(100, surf.)–nC4H10 3.5 (phys) 15 LITD 1990BRA/ARE
Ru(100, surf.)–nC4H10 11.9G0.5 49.8G2.1 LITD 1990BRA/ARE
Ru(100, surf.)–nC5H12 4.5 (phys) 19 LITD 1990ARE/DEC
Ru(100, surf.)–nC5H12 13.8G0.9 57.7G3.8 LITD 1990ARE/DEC
Ru(100, surf.) 4.1 (phys) 17 LITD 1990ARE/DEC

–iso-C5H12
Ru(100, surf.) 13.5G0.4 56.5G1.7 LITD 1990ARE/DEC

–iso-C5H12
Ru(100, surf.) 3.3 (phys) 14 LITD 1990ARE/DEC

–cyclo-C5H12

–cyclo-C5H12
Ru(100, surf.) 3 (phys) 13 LITD 1990ARE/DEC

–neo-C5H12

–neo-C5H12
Ru(100, surf.)–nC6H14 4.8 (phys) 20 LITD 1990BRA/ARE
Ru(100, surf.)–nC6H14 15.0G0.5 62.8G2.1 LITD 1990BRA/ARE
Ru(100, surf.)–C4F10 13.8G0.6 57.7G2.5 LITD 1991ARE/WES
Ru(100, surf.) 12.3G0.5 51.5G2.1 LITD 1990WES/ARE

–((CH3)2SiH)2
(h5-C5Me5)(PMe3)2 (1) !34 !142 (1) Kinetics (1) 1989BRY/DOM

Ru–L (2) 31.0 129.7 (2) Review (2) 1992DRA/WON
LZCH2Si(CH3)3

Ru–CH2C6H5
(h5-C5Me5)(PMe3)2 (1) !37 !155 (1) Kinetics (1) 1989BRY/DOM

Ru–C6H5 (2) 40.0 167.4 (2) Review (2) 1992DRA/WON
–CH2C6H5 (1) !38 !159
–CCC6H5 (1) !42 !176
(2) 63.3 264.8
(continued)
BDEs (boldfaceZ
recommended data;
(h5-C5Me5)(PMe3)2
Ru–OC6H5 !33 !138 Kinetics 1989BRY/DOM
–SC6H5 !32 !134
(h5-C5Me5)(PMe3)2
Ru–L
LZNH(C6H5) !28 !117 Kinetics 1989BRY/DOM
N(C6H5)2 !23 !96
R N N R
LZmesityl 16.8 70.3 Combined 2003HIL/SOM

2,6-Diiso 12.1 50.6
propylphenyl
(h5-C5Me5)Rn(Cl)–L
R N N R
LZ4-Me-phenyl 18.8 78.7 Combined 2003HIL/SOM

Mesityl 15.6 65.3
2,6-Diiso 11.1 46.4
propylphenyl
(h5-C5Me5)Rn(Cl) 10.5 43.9 Combined 2003HIL/SOM

–PCy3
PCy3ZP(cyclohexyl)3
(h5-C5H5)(CO)2 40.4G4 169G17 Review 1994NOL

Ru–U(h5-C5H5)3
18.2.2 RuC–X bonds

Table 18.2.2 BDEs of RuD–X Bonds
BDEs
RuC–H (1) 41G3 172G13 Ion reactions (1) 1984MAN/HAL

(2) 38.3G1.2 160.2G5.0 (2) 1995CHE/ELK
(h5-C5H5)2RuC–H (1) 79G5 331G21 (1) Thermochem. (1) 1981STE/BEA

(2) 64.8G3.6 271G15 (2) Review (2) 1990SIM/BEA
(3) 69.8G3.8 292G16 (3) Re-evaluated (3) 1992RIC
(L)RuC–H
LZ(h5-C5Me5)2 (1) 67.9 284.1 Electrochemical (1) 1995PED/SKA
(2) 68.0 284.5 (2) 1996WAN/ANG
(h5-C5H5)(PMe3)I (2) 66.8 279.5
(h5-C5H5)(dppm)H (2) 70.7 295.8
dppm: Ph2PCH2PPh2
(h5-C5H5)(dppe)H (2) 69.4 290.4
dppe: Ph2P(CH2)2PPh2
(h5-C5H5)(PPh3)2H (2) 68.3 285.8
RuC–C 108.4G2.5 453.5G10.6 Ion reactions 1999ARM/CHE

–CH 119.9G2.8 501.7G11.6
–CH2 82.3G1.2 344.4G4.8
RuC(CH3)x–CH3
xZ0 (1) 54G5 226G21 (1) Ion reactions (1) 1984MAN/HAL
(2) 38.3G1.4 160.2G5.8 (2) Ion reactions (2) 1999ARM/CHE
1 (3) O42.1 O176 (3) Review (3) 1990SIM/BEA
RuC–C2H2 (1) 45.7G4.2 191.0G17.3 (1) Ion reactions (1) 1999ARM/CHE

–CCH2 (1) 78.2G4.4 327.1G18.3
–C2H3 (1) 69.9G1.6 292.3G6.8
–C2H4 (1) O30.9G0.2 O129.3G1.0
(2) 30 125.5 (2) Review (2) 1998SCH/SCH
–CHCH3 (1) 73.6G3.5 307.8G14.5
(continued)
Table 18.2.2 (continued) BDEs of RuC–X Bonds
BDEs
–C2H5 (1) 28w44 117w183
RuC–C3H4 51.7G2.8 216.1G11.6 Ion reactions 1999ARM/CHE

–C3H6 O28.1G0.2 O117.7G1
–C4H6 O54.9G0.2 O229.6G1
–C4H8 O23.1G0.2 O96.7G1
RuC(O)x–O
xZ0 (1) 88.9G1.2 372G5 (1) Ion reactions (1) 1995CHE/ARM(c)
1 (2) 79 331 (2) Derived (2) 2000SCH/SCH
RuC–S 68.8G1.4 288G6 Ion reactions 2003ARM
RuC–CS 60.5G4.8 253G20 CID 2000ROD/ARM(b)
Cp' H Cp'
Ru Ru
CO
OC
OC L
Cp 0 Zh5-C5Me5 LZCO 65.0 272.0 Electrochemical 2002ROU/NAT

h5-C5H5 CO 72.6 303.8
C5H4CH2 CO 70.8 296.2
Tp CO 67.8 283.7
Fv CO 74.5 311.7
C5H4CH2C5H CO 74.8 313.0
Ind CO 69.1 289.1
h5-C5H5 PMe3 73.1 305.9
Tp: hydrotris
(pyrazolyl)borate
Fv: C10H8
Ind:h5-C9H7
(h5-indenyl)RuC(L)2–L 16.6G2.3 69.5G10 FT-ICR 2002WES/ROS

(h5-indenyl)RuC(L)–2L 34.6G2.3 145G10
LZPHPh2
Ru2C(bipy)3–CH3COCH3 15.2G0.9 63.6G3.8 ESI-FT-ICR 2002STE/DUN

–CH3CN 17.3G0.8 72.4G3.3
Ru2C(bipy)3Lx–L
LZCH3C(O)C2H5
xZ0 17.6G0.8 73.6G3.3 ESI-FT-ICR 2002STE/DUN
1 15.4G0.7 64.4G2.9
2 16.8G0.8 70.3G3.3
3 16.2G1.0 67.8G4.2
Ru2C(NH3)2(bipy)2Lx–L
LZCH3C(O)CH3
xZ0 19G1 79.5G4 BIRD 2004STE/DUN
1 19G1 79.5G4
5 19G1 79.5G4
18.3 Os– and OsC–X bonds

18.3.1 Os–X bonds
Table 18.3.1 BDEs of Os–X Bonds
BDEs
Os–Os 99G18 415G77 Correlation 1986MOR
Os–Ce 125.2G4.8 524G20 MS 1989CHA/GIN
Os(H)(CO)4–H 78 326.4 Electrochemical 1991EIS/LAW
(h5-C5H5)(CO)2Os–H 82 343.1 AOP 2005ZHA/GRI
(continued)
Table 18.3.1 (continued) BDEs of Os–X Bonds
BDEs
Os(C)x–C
xZ0 (1) 155G3 649G13 (1) Review (1) 1990SIM/BEA
(2) 145.3G6 608G25 (2) Derived from (2) 2001MEL/THO
DfH0 in ref.
1 (1) 136 569
(2) 132G5.5 553G23
Os(O)x–O
xZ0 (1) 137.4 575 (1) MS (1) 1992HIL/LAU(b)
1 (1) 129.5 542
2 (1) 136.2 570
3 (1) 104.0 435
(2) 78.3G14.4 328G60 (2) Derived (2) 1989IRI/BEA
Os(surf.)–O2 47 196 Review 1982RAO/KAM
Os(0001, surf.)–CO 35.7 150 TPD 1983VEN/SCH
(CO)4Os–CO (1) 30.6G0.3 128G1.3 Kinetics (1) 1989SHE/GAO

(2) 31.8G0.6 133G2.6 (2) 1998PEA/COO
Os(C2H2)(CO)4–CO 23.8G0.2 99.5G0.8 Kinetics 1998PEA/COO

Os(PPh3)(CO)3–CO 40.2G0.7 168G2.9
OsO4–HC 161G2 674G8 Derived 1989IRI/BEA

OsOC
4 –H 132G3 552G13
OsO3–OHC 101G16 423G67 Derived 1989IRI/BEA

18.3.2 OsC–X bonds

Table 18.3.2 BDEs of OsD–X Bonds
BDEs
OsC–H 57.1 238.9 Review 1990OHA/GOD
OsO4–HC 161G2 674G8 Derived 1989IRI/BEA

OsOC
4 –H 132G3 552G13
(L)OsC–H
LZ(C5Me5)2 (1) 71.2 298 Electrochemical (1) 1995PED/SKA
(2) 71.7 300 (2) 1996WAN/ANG
(C5H5)(PPh3)2Br (2) 63.2 264.4
(C5H5)(PPh3)2Cl (2) 66.4 277.8
(C5H5)(PPh2Me)2Br (2) 65.3 273.2
(C5H5)(PPh3)2Br (2) 70.5 295.0
(C5H5)(PPh3)2H (2) 73.6 307.9
OsC–CH2 O111 O464.4 ICR 1991IRI/BEA
OsC–C2H4 45 188.3 Review 1998SCH/SCH
OsC(O)x–O
xZ0 100G12 418G50 FT-ICR 1989IRI/BEA
1 105G12 441G50
2 105G12 441G50
3 71G12 299G50
chapter nineteen
BDEs of Co(CoG)–, Rh(RhC)–,

and Ir(IrC)–X bonds
19.1 Co–, CoC– and CoK–X bonds

19.1.1 Co–X bonds
Table 19.1.1 BDEs of Co–X Bonds
BDEs (boldfaceZ
recommended data;
Co–Co (1) 21.6 90.6 Review (1) 1996SMI/YAT

(2) %30.4 %127 (2) 2001ARM
Co(Co)x–Co
xZ1 (1) R33.4 R140 (1) Review (1) 2001ARM
2 (1) 55.6 233
3 (1) 65.5 274
4 (1) 76.3 319
5 (1) 61.1 256
6 (1) 67.6 283
7 (1) 66.6 279
8 (1) 70.3 294
9 (1) 71.9 301
10 (1) 78.6 329
11 (1) 84.9 355
12 (1) 71.9 301
13 (1) 88.6 371
14 (1) 88.1 369
15 (1) 79.3 332
16 (1) 88.6 371
(continued)
855
Table 19.1.1 (continued) BDEs of Co–X Bonds
BDEs (boldfaceZ
recommended data;
N (2) 101.7 425 (2) Review (2) 1994ARM/HAL

(CO)4Co–Co(CO)4 (1) 11.5G4.6 48.1G19.2 (1) MS (1) 1967BID/MCI

(2) 20.6 86.2 (2) Derived (2) 1975GAR/CAR
(3) 15.3 64.0 (3) Review (3) 1994NOL
(4) 19G2 79.5G8 (4) NMR (4) 1994KLI/RAT
(5) 19.8G6.9 83G29 (5) Derived (5) 1995GOE/AHY
(CO)4Co–Mn(CO)5 22.9G2.9 96G12 Derived 1992CON

–Re(CO)5 27.0G3.6 113G15
Co–Y 60.64G0.02 253.71G0.10 Spectrometry 1994ARR/BLU
Co–Nb 63.82G0.02 267.02G0.10 Spectrometry 1994ARR/BLU
Co–Ti 56.26G0.02 235.37G0.10 Spectrometry 1992SPA/MOR(b)
Co–Zr 73.23G0.02 306.39G0.10 Spectrometry 1994ARR/BLU
Co–Mn 12.0G1.9 50.0G8 CID 1991HOP/MCM(b)
Co–Cu (1) 38.0G5 159.0G20.9 (1) MS (1) 1970KAN/STR

(2) 38.5G3.9 161.1G16.4 (2) Review (2) 1986MOR
Co–Au 52.1G3.9 218.0G16.4 Review 1986MOR
Co–Al 43.4G0.1 181.6G0.2 Spectrometry 2001FU/RUS
Co–H (1) 45.1G1 188.7G4 (1) MS (1) 1981KAN/MOO

BDEs of Co(CoG)–, Rh(RhC)–, and Ir(IrC)–X Bonds 857
(3) 46.6G3.2 194.9G13.5 (3) CID (3) 1991FIS/ARM

(4) 44.0G1.2 184G5 (4) Review (4) 1996ARM/KIC
(5) 58.5G1.2 244.9G4.8 (5) Spectroscopy (5) 2002PRI/GOM
Co–D 64.6G1.4 270.2G5.8 Spectroscopy 2000PRI/GOM
Co(CO)4–H (1) 66.4 277.8 (1) Electrochemical (1) 1991PAR/HAN

(2) 56 234 (2) Derived (2) 1991KRI/NOR
(3) 58 242.7 (3) Review (3) 1994NOL
(4) 59G1 246.9G4 (4) NMR (4) 1994KLI/RAT
(5) 66.4 278 (5) Review (5) 2001TIL
(Co(CO)3)(L)–H
LZP(OPh)3 (1) 65.2 272.8 (1) Electrochemical (1) 1991PAR/HAN
(2) 65.2 273 (2) Review (2) 2001TIL
PPh3 (1) 65.0 272.0
(2) 65.0 272
Co(polycs. surf.)–H 64 268 Review 1979TOY/SOM
Co(0001, surf.)–H w16 (phys) w67 TPD 1979BRI/COM
Co(0001, surf.)–H 59.8 250 Review 1988CHR
Co(1010, surf.)–H (1) 60.0 251 (1) Review (1) 1988CHR

(2) 61.7 258 (2) TPD (2) 1994ERN/SCH
Co–F 103G15 431G63 Review 1974GUR/KAR

–Br 78G10 326G42
–I 67G5 280G21
Co(Cl)x–Cl
xZ0 (1) 80.7G1.6 337.6G6.7 (1) MS (1) 1995HIL
1 (2) 97.5 407.9 (2) Derived from (2) 1996NIST
DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
2 (2) 45.7 191.2

3 (2) 73.7 308.4
(pyridine)Co(DH)2–I 34.6G1.4 144.8G5.9 Kinetics 1989TOS/SEL

DH2Zdimethylglyoxime
Co–O (1) 87.3 365.2 (1) MS (1) 1966GRI/BUR

(2) 91.9G3.2 384.5G13.4 (2) Spectroscopy (2) 1989MER
(3) 57.7G2.3 241.2G9.6 (3) CID (3) 1990FIS/ARM
(4) 95.0G2.1 397.4G8.7 (4) CID (4) 2005LIU/LI
Co–S 79 331 Review 1972SMO/MAN
Co–Si 65.6G4.1 274.4G17 MS 1969MAH/MCL
Co–Ge (1) 56G6 234G25 (1) MS (1) 1968KAN/STR

(2) 55G5 230G21 (2) Review (2) 1974GUR/KAR
Co(polyc. surf.)–H2 24.1 100.8 Calorimetry 1975AND
Co(polyc. surf.)–O2 (1) 102 426 (1) Calorimetry (1) 1960BRE/HAY

(4) 114 478 (4) Review (4) 1982RAO/KAM
(5) 109.9G6 460G25 (5) Adsorption (5) 1988OST
CoO(polycr. surf.)–O2 65 272 Review 1964HAY/TRA
Co(polycr. surf.)–CO 18–20 (phys) 75–84 IR 1967KAV/SOK

Co(polycr. surf.)–CO 47 197 Calorimetry 1965BRE/HAY
Co(0001, surf.)–CO (1) 24.6G1 103G8 (1) TPD (1) 1977BRI/COM

(2) 28 117 (2) Review (2) 1991ZHD
(3) 30.6 128 (3) LEED (3) 1983PAP
(4) 27.4 114.5 (4) TDS (4) 1998LAH/KAU
Co2–CO 36.9 154.4 Combined 2002TRE/MAN
CoO(polycr. surf.)–CO 20 84 Review 1964HAY/TRA
(CO)3HCo–CO w13 w54 Kinetics 1969UNG/MAR
(h5-C5H5)Co(CO)–CO 44.0G1.2 184.3G4.8 UV PES 2003SZT/SZE
Cob(II)alamin–NO 18.2G0.2 76G1 UV/VIS spectra 2001WOL/ZAH
Co(II)–NO bonds
NO
N N
Co II Y
Y N N
YZH 23.4 97.9 Calorimetry 2002ZHU/LI

p-Cl 22.8 95.4
m-Cl 23.4 97.9
p-Br 23.3 97.5
m-Br 22.8 95.4
p-Me 24.1 100.8
m-Me 23.5 98.3
p-i-Pr 24.2 101.3
p-OMe 24.6 102.9
m-OMe 23.3 97.5
p-NO2 21.1 88.3
m-NO2 20.8 87.0
(continued)
BDEs (boldfaceZ
recommended data;
Co(III)–NO bonds
NO
N N
Co II Y
Y N N
YZH 16.8 70.3 Calorimetry 2002ZHU/LI

p-Cl 16.7 69.9
m-Cl 16.8 70.3
p-Br 16.7 69.9
m-Br 16.3 68.2
p-Me 17.2 72.0
m-Me 16.6 69.5
p-i-Pr 16.9 70.7
p-OMe 17.5 73.2
m-OMe 16.8 70.3
p-NO2 15.2 63.6
m-NO2 15.1 63.2
Co(polycr. surf.)–CO2 (1) 35 146 (1) Review (1) 1964HAY/TRA

CoO(polycr. surf.)–CO2 23 96 Review 1964HAY/TRA
CoO(polycr. surf.)–ON2 13 (phys) 54 Review 1964HAY/TRA
CoO(polycr. surf.)–ON2 50 209 Review 1964HAY/TRA
Co–CH2 79G9 331G38 Proton affinity 1989JAC/GOR
Co–CH3 (1) 46G3 192.5G13 (1) GIB MS (1) 1989GEO/FIS

(2) 42.5G2 178G8 (2) Review (2) 1996ARM/KIC
(pyridine)Co(DH)2–CH3 33.1G1.6 138.5G6.7 Kinetics 1989TOS/SEL

(DH)2Zdimethylglyoxime
Me–Cbl (i.e., CH3–cobalamin) (1) 37G3 154.8 (1) Thermolysis (1) 1992MAR/FIN
(2) 36 150.6 (2) PAC (2) 1999HUN/GRA
(3) 31G2 129.7G8.4 (3) Electrochemical (3) 2006BIR/HUA
Me–Cb1 (base-on) 39G5 163G21 TR PAC 1998LUO/LI

Me–Cb1 (base-off) R42G5.5 R176G23
CH3–cobinamide (i.e., Me–Cbi) 37 154.8 PAC 1999HUN/GRA
(L)(salen)Co–CH3
LZH2O 40.2G2 168G8 PAC 2002LI/ZHA
Imidazole 36.3G2 152G8
Benzimidazole 32.5G2 136G8
Pyridine 30.4G2 127G8
salenZ
bis(salicylidene)ethylene-
diamine
CH3–CoPc(py) 30G1 125.5G4.2 Kinetics 2005GAL/KUB

C2H5–CoPc(py) 29G1 121.3G4.2
PcZdianion of phthalocyanine
pyZpyridine
(TPP)Co–CH3 !19.7 !82 Kinetics 1998FUK/MIY

–C2H5 !19.8 !83
–C4H9 !19.3 !81
TPPZtetraphenylporphyrin
dianion
CoO(polycr. surf.)–C2H4 13 54 Review 1964HAY/TRA
(H2O)(salen)Co–C2H5 salen 29.9G2 125G8 PAC 2002LI/ZHA

Zbis(salicylidene)ethylene-
diamine
(continued)
BDEs (boldfaceZ
recommended data;
(py)(saloph)Co–CH2CH2CH3 25 104.6 Kinetics 1982TSO/LOO

pyZpyridine
cobinamide–CH(CH3)2 26.3 110 Kinetics 1990SIM/BEA
(py)Co(DH)2–CH(CH3)2 21.3G2.4 89.1G10.0 Kinetics 1989TOS/SEL

pyZpyridine,
(py)(saloph)Co–CH(CH3)2 20 83.7 Kinetics 1982TSO/LOO

pyZpyridine
(H2O)(salen)Co–CH(CH3)2 19.4G2 81G8 PAC 2002LI/ZHA

salenZ
diamine
(TPP)Co–C(CH3)2CN !19.5G0.9 !81.6G3.8 Kinetics 1998WOS/WAY

dianion
(TAP)Co–C(CH3)2CN (1) 18G1 75.3G4 Equilibrium (1) 1994WAY/GRI

TAPZtetraanisylporphy- (2) 17.8G0.6 74.5G2.5 (2) 1996WOS/XIE
rinato
(salen)(H2O)Co–nC4H9 (1) 27.7G2 116G8 PAC (1) 2000ZHA/LI

(2) 25.6G2 107G8 (2) 2002LI/ZHA
(salen)Co–nC4H9 24.4G0.5 102.1G2.2 Kinetics 1991WOL/BAL

salenZ 24.5G0.3 102.3G1.3
bis(salicylidene)ethylene- 27.8G0.6 116.2G2.4
diamine
L(salen)Co–nC4H9
LZpyridine 34.6G0.6 144.9G2.7 Kinetics 1991WOL/BAL
PCy3 28.7G0.4 120.0G1.6
salenZbis(salicylidene)-
ethylene-diamine
CyZtricyclohexylphosphine
(H2O)(salen)Co–iC4H9 21.5G2 90G8 PAC 2002LI/ZHA
Cobinamide–iC4H9 24.9 104 Kinetics 1990SIM/BEA
Co(h5-C5H5)x–(h5-C5H5)
xZ0 63.9 267.3 EI 2003OPI
1 81.6 341.5
(py)(saloph)Co–CH2C(CH3)3 18 75.3 Kinetics 1982TSO/LOO

pyZpyridine
Cobinamide–CH2C(CH3)3 (1) 23.7 99 Kinetics (1) 1990SIM/BEA

(2) 28G2 117G8 (2) 1993WAD/FIN
Co(tmhd)2–cyclo-C6H12 (1) 3.2 13.4 (1) Calorimetry 1996CHA/EMM

(2) 3.6 15.2 (2) Solubility
–C6H6 (1) 3.7 15.3
tmhdZ2,2,6,6-tetramethyl-3,5-
heptanedionate
Co(tmhd)2bpy–cycloC6H12 (1) 8.1 34 (1) Calorimetry 1996CHA/EMM

(2) 7.9 33.1 (2) Solubility
–C6H6 (1) 6.1 25.5
(2) 6.5 27
tmhdZ2,2,6,6-tetramethyl-3,5-
heptanedionate
bpyZbipyridine
Co(C6H6)x–C6H6
xZ0 7.8 32.8 Derived 2001PAN/RAO
1 39.4 165.0
(continued)
BDEs (boldfaceZ
recommended data;
Co(Cl)2(py)x–pyridine
xZ0 37.2 155.5 Derived 1997EMM/PIC
1 18.2 76.0
(L)Co(salen)–pyridine
LZMe 8.2 34.5 Thermal analysis 1988MOR/STE
Et 5.2 21.9
n-Pr 3.2 13.3
i-Pr 2.4 10.0
n-Bu 2.0 8.4
t-Bu 3.2 13.3
salenZ
diamine
Co(tmhd)2–bipy 23.2G1.2 97G5 Thermochemical 1996CHA/EMM
Co(L)(I)–CH2C(CH3)3 30.4 127 Kinetics 1990SIM/BEA

–CH2C6H5 36.3 152
LZC2(DO)(DOH)pnZ11-
hydroxy-2,10-diethyl-3,9-
dimethyl-1,4,8,11-tetra-
azaundeca-1,3,8,10-tetra-1-
olato
(TAP)Co–L
LZC(aCH2)(CH2)2CH3 30.9 129.3 Equilibrium 1996WOS/XIE
cyclo-C5H9 30.9 129.3
TAPZtetraanisylporphyrinato
Cobinamid–CH2–cyclo-C5H9 23.7 99 Kinetics 1990SIM/BEA

–CH2C6H5 22.7 95
(py)(saloph)Co–CH2C6H5 22 92.0 Kinetics 1982TSO/LOO

pyZpyridine
Co(dmgBF2)2(H2O)–CH2C6H5 24G3 100G13 Kinetics 1984BAK/ESP

dmgBF2Zdimethylglyoxime BF2
L(Hdmg)2Co–CH2C6H2
LZPMe3 31.8G0.7 133.2G2.8 Kinetics 1991WOL/BAL
PEt3 26.0G0.2 108.9G0.8
PBu3 30.2G1.3 126.4G6.5
PPh3 22.8G0.1 95.5G0.6
PCy3 27.1G0.3 113.4G1.3
pyridine 26.0G0.6 108.7G2.7
4-CN–pyridine 33.9G1.0 142.0G4.1
HdmgZdimethylglyoxime
PCy3Ztricyclohexylphosphine
Co2C([14]aneN4)(H2O)– 24G3 100G13 Kinetics 1987BAK/ESP

CH2C6H5, [14]aneN4Z
1,4,8,11-tetra-aza-cyclo-
tetradecane
Co(L)(OEP)–CH2C6H5
LZP(n-Bu)3 29.3 122.6 Kinetics 1987GEN/HAL
P(c-C6H11)3 29.6 123.8
PMe2Ph 27.1 113.4
PEtPh2 26.1 109.2
PPh3 23.7 99.2
OEPZoctaethyporphyrinate
dianion
Co(L)(dimethylglyoxime)2–
CH2Ph
LZP(n-Bu)3 (1) 21 87.9 (1) Kinetics (1) 1983NG/REM
(2) 28.9 120.9 (2) Kinetics (2) 1987GEN/HAL
(3) 20.8 87.0 (3) Review (3) 1994NOL
P(c-C6H11)3 (2) 22.8 95.4
PMe2Ph (1) 24 100.4
(2) 30.4 127.2
(3) 23.9 100.0
(continued)
BDEs (boldfaceZ
recommended data;
PEtPh2 (1) 19 79.5

(2) 26.8 112.1
PEtPh2 (1) 19 79.5
PPh3 (1) 17 71.1
(2) 25.8 107.9
(3) 17.4 72.8
pyridine (3) 27.0G2.0 113.0G8.4
(DH)2Zdimethylglyoxime (4) 31.2G2.2 130.5G9.2 (4) Kinetics (4) 1989TOS/SEL
(TAP)Co–CHMeC6H5 (1) 19.5G0.6 81.6G2.5 Equilibrium (1) 1996WOS/XIE

TAPZtetraanisylporphyrinato (2) !22.5G0.5 94.1G2 (2) 1998WOS/WAY
PhMeCH–Co(py)(DH)2 (1) 19.7 82.4 Kinetics (1) 1982NG/REM

–(4-NH2–py)Co(DH)2 (1) 21.2 88.7 (2) 1990NG/REM
–(2-NH2–py)Co(DH)2 (2) 16.6 69.5
–(4-CH3–py)Co(DH)2 (1) 20.1 84.1
–(4-CN–py)Co(DH)2 (1) 17.9 74.9
pyZpyridine (2) 16.9 70.7
PhMeCH–L
LZCo(imidazole)(DH)2 (1) 20.8 87.0 Kinetics (1) 1982NG/REM
Co(P(CH2CH2CN)3)(DH)2 (2) 20 83.7 (2) 1983NG/REM
Co(CH3COCH3)(DH)2 (3) 16.9 70.7 (3) 1990NG/REM
(TAP)Co–CC(CH3)2COOCH3 !18.2G0.5 !76.1G2.1 Kinetics 1998WOS/WAY

TAPZtetraanisylporphyrinato
CH(CH3)COOCH3–L
LZ(py)Co(DH)2 28.7 120 Kinetics 1990SIM/BEA
(4-CH3–py)Co(DH)2 29.4 123
(4-CN–py)Co(DH)2 28.2 118
pyZpyridine
(pyridine)Co(DH)2– 33.2 139 Kinetics 1990SIM/BEA

–CH(CH2COOCH3)COOCH3
Co–C bond in 3,4,-anAdoCb1 24G2 100.4G8.4 Thermolysis 2000MAG/FRE
Co–C bonds (1) 26G2 108.8G8.4 (1) Kinetics (1) 1984HAL/KIM

B12–Ado (2) 30G2 125.5G8.4 (2) Kinetics (2) 1986HAY/FIN
AdoZ5 0 -deoxyadenosyl (3) 29.6G1.5 123.8G6.3 (3) Kinetics (3) 1997CHE/YAN
B12Zcobinamide (4) 31.3G2.9 131G12 (4) PAC (4) 1998LI/LUO
Co–C bonds in AdoCbl 33.8G0.2 141.4G0.8 Kinetics 1999BRO/ZOU

AdoCblZ5 0 -
deoxyadenosylcobalamin
Co–C bonds in Ado(Im)Cbl 34.8G0.3 145.6G1.3 Kinetics 2005BRO/ZOU

Ado(Im)CblZCob-5 0 -
deoxyaeno-
sylimidazolylcobamide
Co–C bonds (1) 32.4G1.5 135.6G6.3 (1) Kinetics (1) 1997CHE/YAN

B12–2 0 -dAdo; 2 0 dAdo: 2 0 ,5 0 (2) 31.8G2.5 133.1G10.5 (2) PAC (2) 2003CHE/LI
-dide-oxyadenosyl
Co–C bonds 30.8G4.1 129G17 TR PAC 1998LUO/LI

5 0 -deoxy-5 0 -adenosylcobalamin
(CO)4Co–SiMe3 O55.3G2.3 O231.6G9.6 Derived 1977BUR/STO

–GeMe3 73.8G2.3 308.7G9.6
–SnMe3 64.6G2.3 270.2G9.6
(continued)
BDEs (boldfaceZ
recommended data;
Co–Sn bonds
CoIII(OEP)–SnR3
RZn-Bu O30 O126 Est. by exp. 1998CAO/PET
Ph O30 O126
dianion
Co–Nax bond in MeCbi–NMeIm 8 33 Kinetics 1997SIR/FIN

ImZimidazole
19.1.2 CoC–X bonds

Table 19.1.2 BDEs of CoD–X Bonds
BDEs (boldfaceZ
recommended data;
CoC–Co (1) 63.4G2.3 265.3G9.6 (1) CID (1) 1990HAL/ARM

(2) 63.8 266.9 (2) CID (2) 1994RUS/HEI
(3) 64.3 269.0 (3) Review (3) 1996SMI/YAT
(4) 64.3 269 (4) Review (4) 2001ARM
CoC(Co)x–Co
xZ1 (1) 48.1 201.3 (1) CID (1) 1994RUS/HEI
(2) 44.2 185 (2) Review (2) 2001ARM
2 (2) 48.9 205
3 (2) 65.6 274
4 (2) 76.3 319
5 (2) 67.6 283
6 (2) 72.4 303
7 (2) 67.6 283
8 (2) 68.0 285
9 (2) 74.9 314
10 (2) 78.6 329
11 (2) 83.9 351
12 (2) 72.4 303
13 (2) 90.9 380
14 (2) 84.9 355
15 (2) 82.8 346
16 (2) 88.8 371
17 (3) 88.8 371 (3) CID (3) 1994HAL/SU
N (4) 101.7 425 (4) Review (4) 1994ARM/HAL

CoC(O)–Co O120G8 O502G34 FT-MS 1986JAC/FRE(b)
CoC–Fe (1) 66G7 276G29 (1) FT-MS (1) 1984JAC/FRE

(2) 62G5 259G21 (2) PD (2) 1987HET/FRE
(3) 62G6 259G25 (3) Ion reactions (3) 1987HET/FRE
CoC(O)–Fe O117G8 O490G34 FT-MS 1986JAC/FRE(b)
(CO)4CoC–GeMe3 32.3 135.1 Derived 1977BUR/STO

–SnMe3 25.4 106.1
CoC(He)x–He
xZ0 3.9G0.1 16.4G0.4 Equilibrium 1991KEM/HSU
1 3.4G0.1 14.3G0.4
2 1.2G0.1 5.1G0.4
CoC(Ne)x–Ne
1 1.95G0.1 8.2G0.4
CoC–Ar (1) 12.6 52.8 (1) PD (1) 1989LES/BRU

(2) 12.64G0.01 52.89G0.06 (2) PD (2) 1994ASH/BEL
(3) 13.2 55.1 (3) GDMS (3) 1995BAR/SMI
CoC–Kr (1) 16.3 68.3 PD (1) 1989LES/BRU

(2) 16.34G0.04 68.37G0.18 (2) 1995BUT/BEL(b)
CoC–Xe (1) 22.9G0.4 95.8G1.8 (1) PD (1) 1995BUT/BEL(b)

(2) 20.5G1.6 85.7G6.8 (2) CID (2) 1995HAY/ARM
CoC–H (1) !71 !297 Ion reactions (1) 1979ALL/RID

(2) 52G5 218G21 (2) 1985CAS/FRE
(3) 46.6G1.4 195G6 (3) 1986ELK/ARM
CoC(Co)x–D
xZ0 (1) 47.3G1.4 197.9G5.8 GIB MS (1) 1986ELK/ARM
(2) 47.7G1.4 199.6G5.8 (2) 2005LIU/ARM
1 (2) 54.2G2.1 226.7G8.7
(continued)
Table 19.1.2 (continued) BDEs of CoC–X Bonds
BDEs (boldfaceZ
recommended data;
2 (2) 45.9G2.5 192.0G10.6

3 (2) 51.9G3.7 217.1G15.4
4 (2) 49.6G5.3 207.4G22.2
5 (2) 52.3G6.7 219.0G28.0
6 (2) 50.0G6.7 209.4G28.0
7 (2) 50.5G7.1 211.3G29.9
8 (2) 54.4G7.6 227.7G31.8
9 (2) 57.0G8.1 238.3G33.8
10 (2) 57.0G8.3 238.3G34.7
11 (2) 58.3G8.5 244.1G35.7
12 (2) 61.1G8.1 255.7G33.8
13 (2) 61.6G8.1 257.6G33.8
14 (2) 61.6G8.1 257.6G33.8
15 (2) 62.0G8.5 259.5G35.7
CoC(H)–H 50 209 Review 1990SIM/BEA
CoC(O)–H (1) 107G4 448G17 (1) Thermochemical (1) 1986KAN/BEA

(2) 109 456 (2) Est. by exp. (2) 1986CAS/FRE
CoC(C)–H 91G10 381G42 Ion reactions 1986HET/FRE

CoC(CH)–H 84G5 351G21
(L)CoC–H
LZ(h5-C5H5)(CO)2 (1) 73G5 305G21 (1) Thermochemical (1) 1981STE/BEA
(2) 58.6G2.9 245G12 (2) Review (2) 1990SIM/BEA
CH3OD (3) 35.3G1.8 147.6G7.7 (3) Ion reactions (3) 1994CHE/CLE
CoC(C2H4)–D 29.5G3.0 123.5G12.5 GIB MS 1996HAY/FIS(b)
CoC–Cl (1) 70.2G2.8 294G12 (1) Ion reactions (1) 1989FIS/SUN

(2) 68.1G2.8 285G12 (2) Ion reactions (2) 1996ARM/KIC
(3) 57.2G5 239G21 (3) Derived from IP (3) 1996NIST
in ref.
CoC–Br O69 O289 Ion reactions 1979ALL/RID
CoC–I (1) O71 O297 Ion reactions (1) 1979ALL/RID

(2) 50.6G2 211.7G8.4 (2) 1993KOP/KEM
CoC(H2)x–H2
xZ0 (1) 18.2G1.0 76.1G4.2 (1) Equilibrium (1) 1993KEM/BUS(b)
(2) 17.5G2.3 73G10 (2) CID (2) 1996HAY/ARM
1 (1) 17.0G0.7 71.1G2.9
2 (1) 9.6G0.5 40.1G2.1
3 (1) 9.6G0.6 40.1G2.5
4 (1) 4.3G0.7 18.0G2.9
5 (1) 4.0G0.7 16.7G2.9
CoC–D2 17.1G1.6 71.4G6.8 CID 1996HAY/ARM
(CH4)CoC–H2 17.4 72.8 Equilibrium 1999BOW/KEM
(H2O)CoC(H2)x–H2
1 7.9 33.1
2 8.2 34.3
(CO)CoC(H2)x–H2
1 8.5 35.6
2 8.8 36.8
(h5-C5H5)CoC(H2)x–H2
xZ0 (1) 15.6 65.3 Equilibrium (1) 1999BOW/KEM
(2) 16.2 67.8 (2) 2003CAR/KOP
1 (1) 17.1 71.5
(2) 16.8 70.3
2 (1) 1.1 4.6
(2) 0.9 3.8
CoC–C (1) 90G7 377G29 (1) PD (1) 1986HET/FRE

(2) 83.9G6.9 351G29 (2) GIB MS (2) 1995HAY/CHE
–CH (1) 100G7 418G29
(2) 100.3G8.8 420G37
–CH2 (3) 85.3G6.9 357G29 (3) Ion beam (3) 1981ARM/BEA
(4) 85G7 356G29 (4) FT-MS (4) 1987FOR/LEC
(5) 77.5G1.6 324.2G6.8 (5) GIB MS (5) 1990FIS/ARM
(6) 75.8G1.2 317G5 (6) Review (6) 1996ARM/KIC
(7) %79.1G0.5 %331G2 (7) PD (7) 2000HUS/AGU
–CF2 (8) 50G6 209G25 (8)FT-ICR (8) 1998CHE/AUB
RhCoC–CH2 78–93 326–389 PD 1987HUA/BUC
(continued)
BDEs (boldfaceZ
recommended data;
FCoC–CF2 !30.9G1.4 !129.3G5.9 Ion reactions 1998CHE/FRE(b)
CoC(CH3)x–CH3
xZ0 (1) 57G7 238G29 (1) Ion reactions (1) 1986HET/JAC
(2) 46G14 192G59 (2) FT-MS (2) 1987FOR/LEC
(3) 48.9G3 205G13 (3) GIB MS (3) 1989FIS/SUN
(4) 53.3G2 223G8.4 (4) Kinetics (4) 1993KOP/KEM
(5) 48.4G0.9 203G4 (5) Review (5) 1996ARM/KIC
1 (6) 60.9G4.8 255G20 (6) Review (6) 1990SIM/BEA
(H)CoC–CH3 43.5 182 Review 1990SIM/BEA
(O)CoC–CH3 R53.5G1.2 R224G5 Ion reactions 1994CHE/CLE
(TPP)CoC–CH3 !14.5 !61 Kinetics 1998FUK/MIY

–C2H5 !8.7 !36
–C4H9 !8.4 !35
–C6H5 !15.0 !63
dianion
CoC(CH4)x–CH4
xZ0 (1) 49G11 205G46 (1) Ion reaction (1) 1984JAC/FRE
(2) 22.9G0.7 96G3 (2) Equilibrium (2) 1993KEM/BUS
(3) 21.4G1.4 89.5G6 (3) Ion reactions (3) 1995HAY/ARM
(4) 23.1 96.7 (4) Equilibrium (4) 2001ZHA/KEM
1 (2) 24.8G0.8 104G3
(3) 23.1G1.2 96.7G5
(4) 25.3 105.9
2 (2) w11 w46
(3) 9.5G1.2 39.8G5
(4) 7.3 30.5
3 (3) 15.5G1.4 64.9G6
(4) 5.2 21.8
(CH3)CoC(CH4)x–CH4
xZ0 17.2 72.0 Equilibrium 2001ZHA/KEM
1 9.2 38.5
(L)CoC–CH4
LZH2 22.6G1.2 95G5 Equilibrium 1993KEM/BUS
H2O 25.9G0.8 108G3
C2H6 24.0G1.2 100G5
(h5-C5H5)CoC(CH4)x–CH4
xZ0 24.1 100.8 Equilibrium 2003CAR/KOP
1 12.1 50.6
2 2.2 9.2
CoC–C2H2 (1) O39.9G4.6 O166.9G19.3 (1) GIB MS (1) 1990FIS/ARM

(2) O8.3G3.5 O34.7G14.5 (2) Revised (2) 1994FIS/ARM
(3) R6.5G3 R27.0G12.6 (3) GIB MS (2) 1994HAY/ARM
(4) 43G2 180G8 (4) IRMPD (4) 1997SUR/RAN
CoC(C2H4)x–C2H4
xZ0 (1) 37G2 155G8 (1) Ion reactions (1) 1983JAC/FRE
(2) 42G5 176G21 (2) KERD (2) 1990KOP/BOW
(3) O40G4.6 O167G19 (3) GIB MS (3) 1990FIS/ARM
(4) 42.9G1.6 179.5G6.8 (4) GIB MS (4) 1996HAY/FIS(b)
(5) 44.5G2.2 186G9 (5) GIB MS (5) 1998SIE/JAR
1 (5) 36.3G3.3 152G14
CoC–C2H3 (1) 48.4G1.8 202.5G7.5 (1) GIB MS (1) 199HAY/ARM

–C2H5 (2) 46.1G2.6 193G11 (2) Review (2) 1996ARM/KIC
(3) O40.6G2.1 O170G9 (3) GIB MS (3) 1996HAY/FIS
–(CH3)2 (4) 110G3 460.2G12.6 (4) KERD (4) 1988HAN/BEA
(5) 84.1 351.9 (5) Ion reactions (5) 1992PER/GOD
CoC(D)–C2H4 26.1G3.7 109.0G15.4 GIB MS 1996HAY/FIS(b)
CoC(C2H6)x–C2H6
xZ0 (1) 28.0G1.6 117.2G6.7 (1) Equilibrium (1) 1993KEM/BUS
(2) 24.0G1.2 100.4G5.0 (2) GIB MS (2) 1996HAY/FIS(b)
1 (1) 26.8G1 112G4
2 (1) !12 !50
(L)CoC–C2H6
LZCH4 28.4G1.3 119G5 Equilibrium 1993KEM/BUS
(C2H6)2 !12 !50
RhCoC–C2H6 O33 O138 PD 1987HUA/BUC
CoC–C3H3 (1) 89G17 372G71 (1) Ion reactions (1) 1985JAC/FRE

(2) 83.0 347.3 (2) EI (2) 2003OPI
(continued)
BDEs (boldfaceZ
recommended data;
–C3H4 (3) O18.7G2.1 O78.2G8.7 (3) GIB MS (3) 1994HAY/ARM

(4) 32.5G6 136G25 (4) FT-ICR (4) 1997NAN/FRE
–C3H5 (3) 46.4G3.9 194G16
–C3H6 (3) 43.1G1.6 180G7
(5) 44G5 184G21 (5) KERD (5) 1992BEA/KOP
–C3H6(cyclo) (6) 29.9G1.7 125G7 (6) GIB MS (6) 1996ARM/KIC
–C3H6(metallocyclic) (7) 81G5 339G21 (7) Review (7) 1996FRE
–C3H8 (8) 30.9G1.4 129.3G5.8 (8) GIB MS (8) 1996HAY/FIS
CoC–C4H6 (1) O85.9 O359 Ion reactions (1) 1984TSA/ALL

(2) !52 !218 (2) 1988BUC/FRE
CoC(h5-C5H5)–C4H6 O57 O238 Ion reactions 1988BUC/FRE
CoRhC–C5H6 O67 O280 PD 1987HUA/BUC

CoC(h5-C5H5)x–(h5-C5H5)
xZ0 (1) O84 O351 (1) Ion reactions (1) 1984JAC/FRE(c)
(2) O76G7 O318G29 (2) Ion reactions (2) 1985JAC/FRE(d)
(3) 85G3 356G12 (3) Review (3) 1990SIM/BEA
(4) 91.8 384.0 (4) EI (4) 2003OPI
(5) 78.2G0.7 327.1G2.9 (5) Derived (5) 2003SZT/SZE
1 (3) 123G10 513G42
(4) 112.1 469
CoC(C5H8)x–C5H8
xZ0 85G5 356G21 Ion reactions 1985JAC/FRE
1 118G10 494G42
CoC(C6H6)x–C6H6
xZ0 (1) 68G5 285G21 (1) PD (1) 1986HET/JAC
(2) 61.1G2.6 256G11 (2) CID (2) 2000ROD/ARM(b)

1 (2) 39.9G3.3 167G14
Co+ ( )
Y
YZmethyl 63.4G2.6 265G11 Kinetics 1998SCH/WES
ethyl 64.2G2.6 269G11
1,2-dimethyl 65.2G2.7 273G11
1,3-dimethyl 65.2G2.7 273G11
1,4-dimethyl 65.3G2.7 273G11
1,3,5-trimethyl 66.8G2.8 279G12
1,2,4-trimethyl 66.9G2.8 280G12
1,2,4,5-tetramethyl 68.2G2.9 285G12
pentamethyl 69.7G2.9 292G12
hexamethyl 70.9G3.0 297G13
Co+ ( )
Y
YZF 56.2G2.9 235G11 Kinetics 1998SCH/WES
Cl 57.4G2.9 240G11
Br 58.4G3.1 244G13
I 60.1G3.3 251G14
OH 61.0G2.7 255G11
NH2 64.8G2.9 271G12
CN 57.8G2.7 242G11
1-F-2-methyl 58.8G2.7 246G11
1-F-3-methyl 58.6G2.7 245G11
1-F-4-methyl 58.6G2.7 245G11
1-Cl-2-methyl 59.7G2.7 250G11
1-Cl-3-methyl 59.6G2.7 249G11
1-Cl-4-methyl 59.6G2.7 249G11
CoC–cyclo-C7H8 O52G4 O218G17 Ion reactions 1986CAS/FRE
Co–C bond in AdoCbiC 34.5G1.8 144.3G7.5 Thermolysis 1990MAR/FIN
CoC–C60 58G16 243G67 Ion reactions 1994KAN/BYN
CoC–O (1) 63.6G2.3 266.1G10 (1) Ion beam (1) 1982ARM/HAL

(2) 76.1G1.6 318.4G6.8 (2) GIB MS (2) 1990FIS/ELK
(continued)
BDEs (boldfaceZ
recommended data;
(3) 76.0G1 318G4 (3) Re-evaluated (3) 1996ARM/KIC

in ref.
(5) 75.8G1.2 317.3G4.8 (5) Review (5) 2005LIU/LI
CoC(Co)x–O
xZ1 (1) O119 O498 (1) FT-MS (1) 1986JAC/FRE(b)
(2) 102.8G1.4 430.3G5.8 (2) GIB MS (2) 2005LIU/LI
2 (1) O85 O356
(2) 105.2G3.7 440.0G15.4
3 (2) 114.6G4.4 479.5G18.3
4 (2) 107.9G5.8 451.5G24.1
5 (2) 105.8G5.1 442.9G21.2
6 (2) 110.0G6.0 460.2G25.1
7 (2) 106.1G4.4 443.8G18.3
8 (2) 108.2G4.4 452.5G18.3
9 (2) 110.0G6.9 460.2G28.9
10 (2) 113.2G7.4 473.7G30.9
11 (2) 112.5G8.1 470.8G33.8
12 (2) 104.5G8.8 437.1G36.7
13 (2) 115.5G9.7 483.4G40.5
14 (2) 104.5G9.7 437.1G40.5
15 (2) 101.9G10.6 426.5G44.4
16 (2) 109.1G13.6 456.4G56.9
17 (2) 113.9G11.5 476.6G48.2
18 (2) 112.5G11.5 470.8G48.2
CoC
3 ðOÞx –O
2 O85 O356
3 !25 !105
FeCoC3 ðOÞx –O
2 O85 O356
CoC(Fe)–O O119 O498 FT-MS 1986JAC/FRE(b)
CoC
3 ðFeÞ–O O85 O356 FT-MS 1986JAC/FRE(b)
RhCoC–O O85 O356 Photodissociation 1987HUA/BUC
CoC–2O O185G7 O774G29 FT-MS 1986JAC/FRE(b)
CoC(Co)–2O (1) 221G17 925G71 (1) FT-MS (1) 1986JAC/FRE(b)

(2) 199.5G3.5 834.6G14.5 (2) GIB MS (2) 2005LIU/LI
CoC(Co)x–2O
xZ2 224.1G3.9 937.8G16.4 GIB MS 2005LIU/LI
3 237.3G4.4 992.8G18.3
4 238.2G4.6 996.7G19.3
5 233.1G4.6 975.4G19.3
6 235.4G4.8 985.1G20.3
7 233.4G4.2 976.4G17.4
8 229.4G4.8 960.0G20.3
9 237.5G5.8 993.8G24.1
10 242.4G6.9 1014.0G28.9
11 236.4G7.6 989.0G31.8
12 232.7G8.3 973.5G34.7
13 241.2G9.2 100.9.2G38.6
14 226.9G9.7 949.4G40.5
15 226.9G11.1 949.4G46.3
16 225.8G11.8 944.6G49.2
17 224.1G11.8 937.8G49.2
18 208.2G16.8 871.2G70.4
CoC(Fe)–2O 221G17 925G71 FT-MS 1986JAC/FRE(b)
Cob(II)esterC–O2 (1) 7.4G1.5 31.0G6.5 (1) ESR (1) 1972ZEL

(2) 6G1 25.1G4.2 (2) EPR (2) 1982JOR/SCH
(3) 8.2G0.6 34.4G2.5 (3) EPR/ENDOR (3) 2001DOO/SCH
CoC(CO)x–CO
xZ0 (1) 39G5 163G21 (1) KERD (1) 1988HAN/BEA
(2) 41.5G1.6 173.7G6.7 (2) CID (2) 1995GOE/HAY
(3) 39.1G3 163.6G12.6 (3) KERD (3) 1995CAR/KOP
1 (2) 36.4G2.1 152.4G8.7
2 (2) 19.6G2.8 82.0G11.6
3 (2) 18.0G1.4 75.3G5.8
4 (2) 18.0G1.2 75.3G4.8
(continued)
BDEs (boldfaceZ
recommended data;
CoC(NO)(CO)x–CO
xZ0 36.1G0.7 151.0G3 PES 2002SZT/BAE
1 26.6G0.7 111.1G3
2 21.9G1.2 91.7G5
(h5-C5H5)CoC(CO)x–CO
xZ0 (1) 35.3G0.5 147.6G2 (1) PES (1) 2000SZT/BAE
(2) 29.7 124.5 (2) EI (2) 2003OPI
1 (1) 34.6G0.5 144.7G2
(2) 32.3 135.1
(CoNOPCH3)C–CO 18.7G1.6 78.2G6.8 TPEOICO 2005GEN/SZT

(CoNOPC2H5)C–CO 18.0G1.7 75.3G6.8
(CoCONOPCH3)C–CO 21.7G1.4 90.7G6.2 TPEOICO 2005GEN/SZT

(CoCONOPC2H5)C–CO 20.8G1.4 86.8G6.2
CoC–OH (1) 71G3 297G13 (1) PD (1) 1984CAS/FRE(b)

(2) 72G2 301G8 (2) TQ MS (2) 1989MAG/DAV
(3) 72.2G0.9 302G3.9 (3) GIB MS (3) 1994CHE/CLE
(4) 71.7G0.9 300G4 (4) Re-evaluated (4) 1996ARM/KIC
(5) 71.2G0.9 298G4 (5) Review (5) 2001FAH/THO
CoC(CO)x–NO
xZ0 (1) 37–52 155–218 (1) Ion reactions (1) 1984CAS/FRE
(2) 43.1G1.7 180.4G7 (2) PES (2) 2002SZT/BAE
1 (2) 37.7G0.7 157.7G3
2 (2) 30.1G4.3 126.1G18
(CoPCH3)C–NO 39.0G1.6 163.1G6.8 TPEOICO 2005GEN/SZT

(CoPC2H5)C–NO 40.1G1.7 167.9G6.8
CoC–CO2 19.9 83.3 PD 1994ASH/BEL(e)

CoC(H2O)x–H2O
xZ0 (1) 37.1 155.2 CID (1) 1989MAG/DAV(b)
(2) 40.1 167.7 (2) 1989MAR/SQU
(3) 39.3G1.4 164.4G5.9 (3) 1994DAL/HON
(4) 37.0 155 (4) 2000VUK/STO
(5) 32.3G4.6 135.1G19.3 (5) 2001POI/PRA
1 (1) 45.0 188.3
(2) 41.9 175.3
(3) 38.8G1.6 162.3G6.7
(4) 39.2G6.9 164.0G28.9
2 (3) 15.5G1.1 64.9G4.6
3 (3) 13.7G1.4 57.3G5.9
CoC–OCH3 R69.2 R289 Ion reactions 1994CHE/CLE
CoC–S (1) 62G5 259G21 (1) PD (1) 1986JAC/FRE

(2) 68.9G2.1 288.3G8.7 (2) CID (2) 2001RUE/ARM
–CS (2) 61.9G7.8 259G33
CoC–N2 (1) 23.0G1.7 (1) 96.2G7.1 (1) FT-ICR (1) 1996HEI/SCH

–NH2 (2) 61.3G2.1 256.6G8.7 (2) GIB MS (2) 1991CLE/ARM
(3) 59.0G1.7 247G7 (3) Review (3) 1996ARM/KIC
–NHCH3 (4) O42.6 O178 (4) Ion reactions (4) 1984ALL/RAD
–N(C2H5)2 (4) O59 O247
CoC(NH3)x–NH3
xZ0 (1) 58.8 246 CID (1) 1989MAR/SQU
(2) 52.3G3.8 219G16 (2) 1998WAL/ARM
1 (1) 61.1 256
(2) 59.8G2.6 250G11
2 (2) 15.5G1.4 65G6
3 (2) 12.2G1.4 51G6
CoC–CH3CN O61G4 O255G17 PD 1988BUC/FRE
CoC–pyridine 59.3G2.9 248.3G12.3 CID 2000ROD/STA

CoC–PCH3 66.4G2.5 278G11 CID 2005GEN/SZT
CoNOC–PCH3 62.4G3.8 261G16 Derived 2005GEN/SZT
(continued)
BDEs (boldfaceZ
recommended data;
CoCONOC–PCH3 44.9G3.8 188G16 Derived 2005GEN/SZT
Co(CO)2NOC–PCH3 40G4 167G16 Derived 2005GEN/SZT
CoC–PC2H5 80.9G3.9 339G16 CID 2005GEN/SZT
CoNOC–PC2H5 78G4.8 326G20 Derived 2005GEN/SZT
CoCONOC–PC2H5 59.8G4.8 250G20 Derived 2005GEN/SZT
Co(CO)2NOC–PC2H5 54G4.8 226G20 Derived 2005GEN/SZT
CoC(L)x–L, LZfuran
xZ0 (1) 57G3 238G13 FT-ICR (1) 1997NAN/FRE
(2) 61 255 (2) 2004GRI/MAN
1 (1) %46G3 %192G13
CoC(L)x–L, LZpyrrole
xZ0 (1) 59G3 247G13 (1) FT-ICR (1) 1997NAN/FRE
(2) O66 O276 (2) Kinetics (2) 2000GAP/YAN
1 (1) %48G3 %201G13
(2) 46.4 194.1
CoC(L)x–L, LZthiophene
xZ0 61G3 255G13 FT-ICR 1997NAN/FRE
1 %49G3 %205G13
CoC(L)x–L, LZselenophene
xZ0 64G3 268G13 FT-ICR 1997NAN/FRE
1 %51G3 %213G13
CoC–adenine 71.0G2.6 297.0G11.0 CID 2002ROD/ARM
CoC–imidazole 64.2G2.6 268.8G10.7 CID 2004RAN/AMU
CoC–Si (1) 75.8G1.6 317.1G6.7 GIB MS (1) 1995KIC/ARM(b)

–SiH (1) 69.9G3.7 292.5G15.5
–SiH2 (2) 67G6 280G25 (2) 1986HAY/KRU
–SiH3 (1) 45.2G3 189.1G12.6
CoC–SiCH3 O60 O251 CID 1989HAY/KRU(b)

–Si(CH3)2 O69 O269
Co2C–OH 44G12 184G50 FAB 1993MCC/LEB
Co2C(H2O)x–H2O
xZ9 15G3 62.8G12.6 HP MS 1990BLA/JAY(b)
10 15G3 62.6G12.6
11 14G3 58.6G12.6
Co2C–a-amylase 4.4 18.5 UV 2002SAB
19.1.3 CoK–X bonds

Table 19.1.3 BDEs of CoL–X Bonds
BDEs (boldfaceZ
recommended data;
CoK–Co (1) 42.4G3 177.4G12.6 (1) Derived (1) 1985SAL/LAN

(2) 32.0 134.0 (2) Derived (2) 1996SMI/YAT
DfH0 in ref.
CoK–H (1) 46.6G3.1 195G13 (1) Derived (1) 1991ARM/SUN

(2) 57.8G2 242G8.4 (2) Derived from (2) 1996NIST
EA in ref.
(continued)
Table 19.1.3 (continued) BDEs of CoK–X Bonds
BDEs (boldfaceZ
recommended data;
CoK(CO)x–CO
xZ2 (1) 34G6 142G25 CID (1) 1992SUN/SQU
(2) 38.1G3.9 159.4G16.3 (2) 1993SUN/WAN
3 (1) 38.7G3.5 162G15
(2) 39.7G3.7 166.1G15.5
(h5-C5H5)CoK(CO)–CO 24.3G2.9 102G12 CID 1995SUN/SQU
CoK–S O103 O431 Derived 1989SAL/LAN

CoK–SH 83G9 347G38
19.2 Rh– and RhC–X bonds

19.2.1 Rh–X bonds
Table 19.2.1 BDEs of Rh–X Bonds
BDEs (boldfaceZ
recommended data;
Rh–Rh (1) 67.9G2 284G8 (1) MS (1) 1974COC/GIN

(2) 68.1 285 (2) Review (2) 1979MIE/GIN
(3) 35.5 148.4 (3) Review (3) 1996SMI/YAT
(4) 56.37G0.01 235.85G0.05 (4) Spectroscopy (4) 1998LAN/MOR
Cl(CO)2Rh–Rh(CO)2Cl 22.6 94.6 Calorimetry 1976PRI/DRA
(TXP)Rh–Rh(TXP) w12 w50 Derived 1991WAY/BA

TXPZtetraxylylporphyrinato
(OEP)Rh–Rh(OEP) (1) 16.5G0.8 69.0G3.3 (1) Derived (1) 1988WAY

OEPZoctaet- (2) 16.0 67 (2) Derived (2) 1992WAY
hyporphyrinate dianion (3) 16.5 69.0 (3) Review (3) 1994NOL
(ttbs)Rh–Rh(ttbs) w13.4 w56 Kinetics 2000BUN/NI

ttbsZN,N 0 -ethyl-enebis(3,5-
di-tert-
butylsalicylaldiminato
Rh(100, surf.)–Rh (1) 20.2G1.7 (phys) 84.5G7.1 FIM (1) 1974AYR/EHR

(2) 19.1 80.1 (2) 1994KEL
(3) 19.4 81.0 (3) 1994KEL(e)
Rh(100, surf.)–Rh 133 556 Review 1995SEE/ALL
Rh(100, surf.)–Rh2 22.4 (phys) 93.6 FIM 1994KEL(e)

–Rh3 23.5 98.4
–Rh4 24.2 101.3
–Rh5 23.3 97.4
–Rh6 26.3 110.0
–Rh7 24.0 100.3
–Rh8 26.3 110.0
–Rh9 28.1 117.7
–Rh10 24.7 103.2
–Rh11 28.4 118.7
Rh(110, surf.)–Rh 13.9G0.8 (phys) 58.2G3.3 FIM 1974AYR/EHR

Rh(111, surf.)–Rh 3.6G0.5 15.1G2.1
Rh(311, surf.)–Rh 12.4G1.2 51.9G5.0
Rh(331, surf.)–Rh 14.8G0.9 61.9G3.8
Rh(100, surf.)–Ir 19.1 (phys) 80.1 FIM 1994KEL(d)
Rh–Ba 62.0G6.0 259.4G25 MS 1978GIN/CHO
Rh–Sc 106.0G2.6 444G11 MS 1989CHA/GIN

–Y 106.6G2.6 446G11
–La 131.5G2.9 550G12
–Ce 130.3G1.7 545G7
–Eu 56.9G8 238G34
Rh–Th 122.6G5 513G21 MS 1978GIN/GUP

–U 124.0G4 519G17
Rh–Ti 93.4G3.5 390.8G14.6 Review 1986MOR

–V 86.9G6.9 363.6G29
(continued)
Table 19.2.1 (continued) BDEs of Rh–X Bonds
BDEs (boldfaceZ
recommended data;
Rh(100, surf.)–Pt 21.2G3 (phys) 88.8G12.5 FIM 1993KEL

Rh(100, surf.)–Pt2 21.2 88.8
Rh(100, surf.)–Pt3 23.8 99.4
Rh(100, surf.)–Pt4 23.8 99.4
Rh(100, surf.)–Pt5 23.8 99.4
Rh(100, surf.)–Pt6 26.7 111.9
Rh(100, surf.)–Pt 134 561 Review 1995SEE/ALL
Rh(110, surf.)–Pt 15.0 (phys) 62.7 FIM 1993KEL(b)

Rh(111, surf.)–Pt !5.1 !21.2
Rh(311, surf.)–Pt 10.1G1.2 42.5G4.8
Rh(331, surf.)–Pt 16.6G0.5 69.5G1.9
Rh–Au 55.6G7 232.6G29 Review 1986MOR
Rh(110, surf.)–He w0.19 w0.79 HAS 1989PAR/KIR
Rh–H (1) O47 O197 (1) Ion reactions (1) 1984JAC/BYR

(3) 56.7G1.4 237.2G5.9 (3) CID (3) 1995CHE/ARM(b)
Rh(polycs. surf.)–H 61 255 Review 1979TOY/SOM
Rh(100, surf.)–H 12.0 (phys) 50.2 TPD 1987RIC/HO
Rh(110, surf.)–H 4–5 (phys) 17–21 Review 1988SEE/KON
Rh(110, surf.)–D 4–5.5 (phys) 17–23 Review 1988SEE/KON
Rh(110, surf.)–T 5–6 (phys) 21–25 Review 1988SEE/KON

Rh(110, surf.)–H (1) 62.4 261 (1) TDS (1) 1988EHS/CHR

(2) 61 255 (2) Review (2) 1991BEN
Rh(111, surf.)–H (1) 63 264 Review (1) 1979ERT

(2) 61 255 (2) 1991BEN
Rh(1010, surf.)–H 13.4 (phys a-state) 56 TDS 1989LAU/SCH

19.1 (b-state) 80
Rh(OEP)–H 61.8 258.6 Kinetics 1988WAY

dianion
(TXP)Rh–H, TXPZ (1) 60 251 Derived (1) 1991WAY/BA

tetraxylylporphyrinato
(TMP)Rh–H, TMPZtetra- (1) 60 251
mesitylporphyrinate
dianion
(dbpb)Rh–H, dbpbZ4,5- (2) w60 w251 (2) 1996WEI/WAY
dimethyl-1,2-
bis(1-butylpentyl)-
pyridine-2-carbo-xamido)-
benzene dianion
(F28TPP)Rh–H, F28TPP is an 58G2 242.7G8.4 Derived 2000NEL/DIM

abbreviation, see the ref.
HRh(m-xylyl)Rh–H 61.1G0.4 255.6G1.7 Derived 2004CUI/WAY
Rh–O 97G10 405G42 Review 1990SIM/BEA
Rh(surf.)–O 87 364 TPD 1994MAD/ROB
Rh(100, surf.)–O (1) 102.1 427 (1) Calorimetry (1) 1998BRO/KOS

(2) 107.1 448.1 (2) Review (2) 2003ZEI
Rh(110, surf.)–O 110.2 461.1 Review 2003ZEI
(continued)
BDEs (boldfaceZ
recommended data;
Rh(111, surf.)–O 4.3G0.7 (phys) 18.0G2.9 TPD 1995PET/SIB
Rh(111, surf.)–O (1) 87.5 366 Review (1) 1991BEN

(2) 102.0 426.8 (2) 2003ZEI
Rh(100, surf.)–N 121.8 509.6 Review 2003ZEI
Rh(110, surf.)–N (1) 113–120 473–502 (1) TPD (1) 1992LIZ/COM

(2) 125.3 524.3 (2) Review (2) 2003ZEI
Rh(111, surf.)–N 116.0 485.3 Review 2003ZEI
Rh–P 84.4G4 353.1G16.7 MS 1971SMO/HUG
Rh–C 138.6G1 580G4 Review 1990SIM/BEA

–C2 103.5 433
Rh–Si 94.4G4.3 395.0G18.0 MS 1970MAH/PEE
Rh–B 113.7G5 475.8G21 MS 1970MAH/PEE
(PiPr3)2(Cl)Rh–H2 32.5 136.0 Calorimetry 1995WAN/ROS
Rh(polycr. surf.)–H2 (1) 27.5 115 (1) Calorimetry (1) 1950BEE//COL

(2) 18 75 (2) FDMS (2) 1966MIM/HAN
Rh(100, surf.)–D2 19.1G0.4 79.9G1.7 TDS 1982KIM/PEE
Rh(111, surf.)–H2 3.7–4.3 (phys) 15.4–18 LITD 1988SEE/KON

–D2 4.3 18
Rh(111, surf.)–H2 (1) 18.6 77.8 (1) TDS (1) 1979YAT/THI

(2) 19 79 (2) TRP (2) 1985ROO/SCH
(3) 17.2 72 (3) TPD (3) 1997HAR/SAN(b)
Rh(111, surf.)–D2 13.8G2 57.7G8.4 LITD 1992MAN/SET
Rh(polycr. surf.)–O2 (1) 116.2 486 (1) Calorimetry (1) 1960BRE/HAY

(3) 43.5 182 (3) Review (3) 1982RAO/KAM
Rh(100, surf.)–O2 (1) 86 360 (1) TPD (1) 1983FIS/SCH

(2) 92.3 386 (2) Calorimetry (2) 1998KOS/BRO
Rh(111, surf.)–O2 24 (phys) 100 TPD 1983ROO/SCH
Rh(111, surf.)–O2 (1) 56G2 234.3G8.4 TPD (1) 1979THI/YAT

(2) 85G5 356G21 (2) 1983ROO/SCH
(3) 56G2 234.3G8.4 (3) 1995PET/SIB
Rh(100, surf.)–N2 9 (phys) 38 Correlation 1981NIE
Rh(100, surf.)–N2 (1) 39.4 165 TPD (1) 1997JAN/CHO

(2) 53.8G1.2 225G5 (2) 2000HOP/NIE
Rh(110, surf.)–N2 (1) 21.5–31 90–130 TPD (1) 1992COM/LIZ

(2) 29.6 123.8 (2) 1995PED/BEL
Rh(110, 1!1, surf.)–N2 21.0 (a-state) 88 TPD 1993KIS/LIZ

27.5 (b1-state) 115
Rh(110, 1!2, surf.)–N2 28.2 (b2-state) 118 TPD 1993KIS/LIZ
(continued)
BDEs (boldfaceZ
recommended data;
Rh(111, surf.)–N2 (1) 31 130 TPD (1) 1986OH/FIS

(2) 29.0 121.3 (2) 1993BEL/DIM
(3) 28.2G2.4 118G10 (3) 1994BOR/REI
(4) 32.1 134.3 (4) 1995PED/BEL
(5) 28.2G2.4 118G10 (5) 2000HOP/NIE
Rh(431, surf.)–N2 23.9 100 TPD 1997JAN/CHO

Rh(533, surf.)–N2 16.7 70
(PiPr3)2(Cl)Rh–N2 16.5 69.0 Calorimetry 1995WAN/ROS
Rh(100, surf.)–NO (1) 25 104.6 (1) TPD (1) 1984HO/WHI

(2) 28G3 117.2G12.6 (2) TPD (2) 1987VIL/HO
(3) 10.5G0.7 43.9G2.9 (3) TPRS (3) 1988WHO/HO
(4) 8.8G1.2 37G5 (4) TPD (4) 2000HOP/NIE
Rh(110, surf.)–NO 31.1G1.4 130G6 TPD 1994SCH/JIR
Rh(111, surf.)–NO (1) 31 130 TPD (1) 1983ROO/SCH

(2) 26 109 (2) 1986OH/FIS
(3) 26.8–29.6 112–124 (3) 1987BUG/SOL
(4) 27.0G2.4 113G10 (4) 1994BOR/REI
(4) 15.5G1.4 (dis.) 65G6
(5) 15.5G1.4 65G6 (5) 2000HOP/NIE
Rh(101, surf.)–NO w24.6 w103 TPD 1978REE/COM
(PiPr3)2(Cl)Rh–CO 48.2 201.7 Calorimetry 1995WAN/ROS
Rh(polycr. surf.)–CO 7G1 (phys) 29G4 NMR 1989DUN/THA
Rh(polycr. surf.)–CO (1) 46 192 (1) Calorimetry (1) 1965BRE/HAY

(2) R44 R184 (2) IR (2) 1967KAV/SOK
Rh(100, surf.)–CO (1) 29 121.1 (1) TPD (1) 1978CAS/SEX

(2) 31.8G1.0 133.1G4 (2) TPD (2) 1982KIM/PEE
(3) 31.3G1 131G4 (3) TPD (3) 1994JON/NIE
(4) 32.3G1.8 135.1G7.5 (4) EELS (4) 1997WEI/SKE
(5) 28.4G1 118G4 (5) Calorimetry (5) 1999KOS/BRO(c)
Rh(110, surf.)–CO (1) w31.1 w130 (1) TPD (1) 1977MAR/LAM

(2) 31.5 132 (2) TPD (2) 1991BOW/GUO
(3) 31.1G1.4 130G6 (3) TPD (3) 1994SCH/JIR
(4) 39.2G1.4 164.0G5.9 (4) EELS (4) 1997WEI/SKE
Rh(111, surf.)–CO 7.1 (phys) 29.7 LITD 1988SEE/KON
Rh(111, surf.)–CO (1) 31.6 132.2 (1) TPD (1) 1979THI/WIL

(2) 31 130 (2) TPRS (2) 1985ROO/SCH
(3) 31.6 132.2 (3) TPD (3) 1986OH/FIS
(4) 32.3 135.1 (4) Scattering (4) 1991PET/CUR
(5) 39.4G0.6 164.8G2.5 (5) Mol. beam (5) 1997WEI/SKE
Rh(111, 2!2, surf.)–CO w34.6 w144.7 Photoemission 2001SME/BEU
Rh(1000, surf.)–CO 24–27 (a-state) 100–113 TDS 1977HOU/DUC

50 (b-state) 209
Rh(1010, surf.)–CO (1) 25 104 TPD (1) 1988KEL/GEL

(2) 23–28 95–118 (2) 2004PAU/PRZ
Rh(311, surf.)–CO 31.1 130 TDS 1993BAT/GAR
Rh(polycs. surf.)–CO2 5.4 (phys) 23 Review 1983WEI
Rh(polycs. surf.)–CO2 26.0 109 Review 1983WEI
Rh(110, surf.)–CO2 28.0 117.2 TPD 1995PED/BEL
Rh(111, surf.)–CO2 14.3 (phys) 59.8 TPD 1986OH/FIS
(continued)
BDEs (boldfaceZ
recommended data;
Rh(111, surf.)–CO2 34.2 143.1 TPD 1995PED/BEL
Rh(111, surf.)–ON2 35.7 149.4 TPD 1995PED/BEL
Rh(110, surf.)–ON2 25.3 105.9 TPD 1995PED/BEL
Rh(111, surf.)–H2O 10.8 45.2 TPD 1987WAG/MOY
Rh(111, surf.)–HCN 50.2G3.6 210G15 SIMS/TPD 1997HAR/SAN
Rh(111, surf.)–NH3 19.5G0.7 81.5G3 SIMS/TPD 1996HAR/SAN
(L)Rh–CH3, LZTMPZ 57.8 242 Derived 1992WAY

etramesi-tylporphyrinate
dianion
LZTXPZ 56.9 238
tetraxylylporphyrinato
CH3–Rh(ttp), ttpZ5,10,15,20- 54.3 227 PAC 2001LI/ZHA

tetratolylporphyrin
CH3–Rh(tmp) 52.3 219
tmpZ5,10,15,20-tetra-
messityl-porphyrin
HRh(m-xylyl)Rh–CH3 56.7G1.8 237.2G7.5 Derived 2004CUI/WAY
Rh(surf.)–CH4 11.1G1.3 46.4G5.4 Chemisorption 1987BRA/EHR
HRh(m-xylyl)Rh–CH2OH 46.7G1.8 195.4G7.5 Derived 2004CUI/WAY
Rh(111, surf.)–CH3OH 11.5 48 TDS 1984SOL/BER
Rh(111, surf.)–CH2I2 13.1 54.9 TPD/AES 1995KLI/SOL
Rh(100, surf.)–CaCH w64 w268 Calorimetry 1999KOS/BRO(b)

Rh(100, surf.)–C2H2 50.2G2.4 210G10
Rh(polycr. surf.)–C2H4 42.4 177 Calorimetry 1950BEE/COL
Rh(100, surf.)–C2H4 41.8G2.4 175G10 Calorimetry 1999KOS/BRO(b)
(h5-C5H5)Rh(C2H4)–C2H4 !31 !130 Kinetics 1971CRA
(PiPr3)2(Cl)Rh–C2H4 24.8 103.8 Calorimetry 1995WAN/GOL
(TMP)Rh–C2H5, TMPZtetra- 48.5 203 Derived 1992WAY

mesitylporphyrinate
dianion
HRh(m-xylyl)Rh–C2H5 50.0G1.8 209.2G7.5 Derived 2004CUI/WAY
Rh(OEP)–C(O)H, OEPZ (1) 58 242.7 (1) Kinetics (1) 1988WAY/COF

octaet-hyporphyrinate (2) 59.5 249 (2) Re-cal. (2) 1992WAY
dianion
Rh(OEP)–CH(OH)Bu 44.0 184 Derived 1992WAY

OEPZ
octaethyporphyrinate
dianion
(PiPr3)2(Cl)Rh–MeCCMe 20.6 86.2 Calorimetry 1995WAN/GOL

–tBuNC 42.4 177.4
Rh(111, surf.)–PhOH w14 w59 TPR 1989XU/FRI
(TMP)Rh–CH2C6H5, TMPZ 33 138 Derived 1992WAY

tetramesitylporphyrinate
dianion
HRh(m-xylyl)Rh–CH2C6H5 37.1G1.8 155.2G7.5 Derived 2004CUI/WAY
(continued)
BDEs (boldfaceZ
recommended data;
(PiPr3)2(Cl)Rh–PhCCPh 22.8 95.4 Calorimetry 1995WAN/GOL
(OEP)Rh–C(O)Rh(OEP) 49G3 205G13 Derived 1988COF/BRE

dianion
(OEP)Rh– w45 w188 Derived 1989WAY/FEN

CH2CH(CH3)Rh(OEP)
dianion
Rh(NC3H3C6H3C(O)(Cl)(py) 31 130 Kinetics 1986SUG/JUN

C(Ph)(OMe)H
19.2.2 RhC–X bonds

Table 19.2.2 BDEs of RhD–X Bonds
BDEs (boldfaceZ
recommended data;
RhC–H (1) 42G3 176G13 Ion reactions (1) 1984MAN/HAL

(2) 39.4G0.9 164.8G3.8 (2) 1995CHE/ELK
RhC(C)–H 20G24 84G100 Ion reactions 1986HET/FRE

RhC(CH)–H 89G5 372G21
(L)RhC–H
LZCH (1) 89G5 372G21 (1) PD (1) 1987HET/JAC
(h5-C5H5)(CO)2 (2) 80G5 335G21 (2) Thermochem. (2) 1981STE/BEA
(3) 68.6G2.9 287G12 (3) Review (3) 1990SIM/BEA
RhC–C (1) O120 O502 (1) PD (1) 1987HET/JAC

(2) 98.9G4.2 414G17 (2) GIB MS (2) 1995CHE/ARM(b)
–CH (1) 102G7 427G29
(2) 106.1G2.8 444G12

–CH2 (1) 89G5 372G21
(2) 85.1G1.8 356G8
(3) 91G5 381G21 (3) Ion reactions (3) 1985JAC/FRE(c)
RhCoC–CH2 78–93 326–389 PD 1987HUA/BUC

RhFeC–CH2 78–93 326–389
RhC(CH3)x–CH3
xZ0 (1) 47G5 197G21 (1) Ion reactions (1) 1984MAN/HAL
(2) 33.9G1.4 142G6 (2) GIB MS (2) 1995KIC/ARM(c)
1 (3) O49 O205 (3) Review (3) 1990SIM/BEA
RhC–C2H2 (1) 38.5G0.7 161G3 (1) CID (1) 1995CHE/ARM(b)

–C2H4 (1) O30.9G0.2 O129G1
(2) 31 129.7 (2) Review (2) 1998SCH/SCH
–C2H5 (1) 41.5G4.2 174G17

RhC–C3H4 53.0G4.6 222G19 CID 1995CHE/ARM(b)

–C3H6 28.1 118

CoRhC–C3H4 O33 O138

RhFeC–C3H8 O30 O126
RhC–C4H6 O56 O236 Review 1990SIM/BEA

CoRhC–C4H6 O56 O236
(continued)
Table 19.2.2 (continued) BDEs of RhC–X Bonds
BDEs (boldfaceZ
recommended data;
RhC–cyclo-C5H5 162–189 678–791 PD 1987HUA/BUC
CoRhC–C5H6 O67 O280 PD 1987HUA/BUC

CoRhC–cyclo-C5H6 O50 O209 PD 1987HUA/BUC

RhC–C6H6 66G7 276G29 Review 1990SIM/BEA
CoRhC–C6H6 49–60 205–251 PD 1987HUA/BUC

FeRhC–C6H6 49–60 205–251
RhC(O)x–O
xZ0 (1) !85 !356 (1) Ion reactions (1) 1987HET/FRE
(2) 70.5G1.4 295.0G5.8 (2) Ion reactions (2) 1995CHE/ARM(c)
1 (3) 78 326 (3) Derived (2) 2000SCH/SCH
FeRhC–O O85 O356 PD 1987HUA/BUC

CoRhC–O O85 O356
RhC–NO 40G5 167G21 Ion reactions 1985CAS/FRE
[(bipyridine)RhC]–PCH 46.5G3.5 194.6G14.6 CID 2001KIM/CHE
RhC–S 54.0G3.1 226G13 Ion reactions 2003ARM
RhC–CS 55.9G4.5 234G19 CID 2000ROD/ARM
(bipyridine)RhC–PCH 46.6G3.5 194.9G14.5 CID 2000KIM/CHE

19.3 Ir– and IrC–X bonds

19.3.1 Ir–X bonds
Table 19.3.1 BDEs of Ir–X Bonds
BDEs (boldfaceZ
recommended data;
Ir–Ir 86G16 361G68 Review 1986MOR
Ir(100, surf.)–Ir (1) 19.4G1.2 (phys) 81.0G4.8 FIM (1) 1990CHE/TSO

(2) 31.1G1.8 (edge) 130.3G7.7 (2) 1993CHO/TSO
(2) 32.3G1.6 (step) 135.1G6.8
Ir(100, surf.)–Ir 150 628 Review 1995SEE/ALL
Ir(110, surf.)–Ir (1) 17.0 71.1 FIM (1) 1991EHR

(2) 16.4G0.5 68.5G1.9 (2) 1991TSO/CHE
Ir(111, surf.)–Ir (1) 5.1G0.7 (phys) 21.2G2.9 FIM (1) 1990CHE/TSO(b)

(2) 6.2G0.1 25.7G0.4 (2) 1990WAN/EHR
Ir(111, surf.)–Ir2 9.8G0.3 (phys) 41.0G1.3 FIM 1990WAN/EHR

Ir(111, surf.)–Ir3 14.4G0.4 60.2G1.7
Ir(111, surf.)–Ir4 10.5G0.3 43.9G1.3
Ir(111, surf.)–Ir5 15.3G0.3 64.0G1.3
Ir(polycs. surf.)–Cs 54.9G2.3 229.6G9.6 Mol. beam 1991HAN/PET

–CsC 48.4G1.2 202.6G4.8
Ir(111, surf.)–Ba 133.7 559.6 FIM 1977ZAN/RUT
Ir–Y (1) 110.4G4.6 461.9G9.6 (1) Review (1) 1986MOR

(2) 109.2G3.6 457G15 (2) MS (2) 1989CHA/GIN
Ir–La 137.9G3 577G12 MS 1989CHA/GIN
Ir–Ce 137.4G2.2 575G9 MS 1989CHA/GIN
(continued)
Table 19.3.1 (continued) BDEs of Ir–X Bonds
BDEs (boldfaceZ
recommended data;
Ir(111, surf)–Yb 110.7G4.6 463.1G19.3 FIM 1975ION/MED
Ir–Th 137.3G10 574G42 MS 1974GIN
Ir–Ti 100.9G3.1 422G13 MS 1989PEL/GIN
Ir–Nb 111G6 465G25 Review 1986MOR
Ir(111, surf.)–W 7.3 (a-state) 30.5 FIM 1992WAN/EHR

11.7 (b-state) 49.0
Ir(100, surf.)–Re 22 92 FIM 1992TSO/CHE
Ir(100, surf.)–Re 180 753 Review 1995SEE/ALL
Ir(111, surf.)–Re 8.7 (phys a-state) 36.4 FIM 1992WAN/EHR

12.0 (b-state) 50.2
Ir(Cl)(CO)(PMe3)2–H 60 251 Review 1988STO/BER
Ir(Cl)2(CO)(PPh3)2–H 58.6 245 Review 1990SIM/BEA

Ir(Cl)(Br)(CO)(PPh3)2–H 56.6 237
Ir(Cl)2(CO)(PMePh2)2–H 63.6 266
Ir(H)(h5-C5Me5)(PMe3)–H 74.2G5 310.5G21 Kinetics, PAC, 1987NOL/HOF

Calorimetry
Ir(Cl)(H)(CO)(PR3)2–H
RZEt 58.1 243.1 Review 1994NOL
c-C6H11 58.8 246.0
Ir(Cl)(H)(CO)(PEt3)2–H 58.1 243.1 Review 1994NOL
Ir(X)(H)(CO)(PPh3)2–H
XZCl 59.0 246.9 Review 1994NOL
Br 60.5 253.1
I 61.7 258.2
Ir(polycs. surf.)–H 64 268 Review 1979TOY/SOM
Ir(100, surf.)–H 10.6 (phys) 44.4 TDS 2006LER/KLE
Ir(110, surf.)–H 63.1 264 Review 1998CHR
Ir(111, surf.)–H (1) 63 264 Review (1) 1974ERT

(2) 58 243 (2) 1998CHR
Ir(X)(h5-C5Me5)(PMe3)–X
XZCl 90.3G5 377.8G21 Kinetics, PAC, 1987NOL/HOF
Calorimetry
Br 76.0G5 318.0G21
I 63.8G5 266.9G21
Ir–O 99G10 414G42 Review 1990SIM/BEA
Ir(surf.)–O 89 372 TPD 1994MAD/ROB
Ir(100, surf.)–O 97.7 409 Review 2003ZEI

Ir(110, surf.)–O 100.4 420
Ir(111, surf.)–O 93.0 389
Ir(100, surf.)–N 133.4 558.1 Review 2003ZEI
Ir(110, surf.)–N (1) 91.5 383 Review (1) 1991BEN

(2) 137.2 574.0 (2) 2003ZEI
(continued)
BDEs (boldfaceZ
recommended data;
Ir(111, surf.)–N (1) 92.0 385

(2) 127.0 531.4
Ir–B 122.4G4.1 512.2G17 MS 1970MAH/PEE
Ir–C 150.8G1.2 631G5 Review 1990SIM/BEA

–C2 132.6 555
Ir–Si 110.6G5 462.8G21 MS 1970MAH/PEE
Ir(dmpe)2–H2 64.0G1 267.8G4.2 PAC 1993BEL/SCA

dmpeZ1,2-bis(dimethyl)-
phos-phinoethane
(Cl)(CO)(PPh3)2Ir–H2 15.0 62.8 Calorimetry 1992HOF
Ir(polycs. surf.)–H2 24 100.4 FDMS 1966MIM/HAN
Ir(110, surf.)–H2 17 71 TDS 1980IBB/WIT
Ir(111, surf.)–D2 18 75.3 TDS 1987ENG/TSA
Ir(100, 1!1, surf.)–D2 23.4G3.3 98G14 Mol. beam 1998ALI/WAL

Ir(100, 1!5, surf.)–D2 20.3 85
(Cl)(CO)(PPh3)2Ir–O2 17.1 71.5 Calorimetry 1992HOF
Ir(polysc. surf.)–O2 38.1G3 (phys) 159G13 TD 1972AGE/ION
Ir(polysc. surf.)–O2 (1) 71.5G2 299G8 (1) TD (1) 1972AGE/ION

(2) 40 168 (2) Review (2) 1982RAO/KAM
Ir(111, surf.)–O2 65G3 272G13 TD 1976IVA/BOR
(Cl)(CO)(PPh3)2Ir–CO 10.8 45.2 Calorimetry 1992HOF
Ir(polycs. surf.)–CO O50 O209 IR 1967KAV/SOK
Ir(100, 1!1, surf.)–CO 46.8G1.2 196G5 Calorimetry 1998ALI/KLO

Ir(100, 1!5, surf.)–CO 35.9 150
Ir(110, surf.)–CO 37 155 TDS 1978TAY/IBB
Ir(110, 2!1, surf.)–CO 29.5 123.4 TDS 1978NIE/SOM
Ir(111, surf.)–CO (1) 35G1 146.4G8 (1) TDS (1) 1976COM/WEI

(2) 39G3 163G15 (2) TDS (2) 1976HAG/NIE
(3) 33.5 140 (3) Review (3) 1978MAD/BEN
(4) w41.8 w175 (4) TR-IRAS (4) 1997SUS/LAU
Ir(polycs. surf.)–N2 58 243 TD 1966MIM/HAN(b)
Ir(100, surf.)–N2 (1) 7–14 (phys) 29–59 (1) FEM (1) 1973NIE/MEI
(2) 15.3 64 (2) TPD (2) 2002SAN/MIN
Ir(110, surf.)–N2 (1) 8.5 (phys) 36 (1) LEED (1) 1981IBB/WIT(b)

(2) 10 42 (2) Correlation (2) 1981NIE
Ir(110, surf.)–NO 36–45 151–188 TPD 1981IBB/WIT
Ir(111, surf.)–NO 20 48 Review 1979ERT
(Cl)(CO)(PPh3)2Ir–SO2 10.1 42.3 Calorimetry 1992HOF
Ir(Cl)2(CO)(PMe3)2–CH3 35.4 148.1 Review 1988STO/BER
(continued)
BDEs (boldfaceZ
recommended data;
Ir(CH3)(h5-C5Me5)(PMe3)–CH3 (1) 56 234 Review (1) 1988STO/BER

(2) 58.0G0.8 242.7G3.3 (2) 1994NOL
Ir(H)(h5-C5Me5)(PMe3)–C2H3 71.0 297.1 Review 1992DRA/WON
(Cl)(CO)(PPh3)2Ir–C2H4 11.8 49.4 Calorimetry 1992HOF
Ir(111, surf.)–C2H6 10.4G0.3 43.5G1.3 QP-MS 1995JOH/WEI

–C2D6 10.9G0.3 45.6G1.3
–C3H8 11.4G0.3 47.7G1.3
–CH3CD2CH3 11.6G0.3 48.5G1.3
–C3D8 12.0G0.3 50.2G1.3
Ir(F)(CO)(PPh3)3–C2F4 18.9 79 Review 1990SIM/BEA

–C4F6 23.7 99
Ir(Cl)(CO)(PPh3)3–C2F4 16.0 67 Review 1990SIM/BEA

–C4F6 22.9 96
Ir(Br)(CO)(PPh3)3–C2F4 9.8 41 Review 1990SIM/BEA

–C4F6 18.9 79
Ir(I)(CO)(PPh3)3–C2F4 13.6 57 Review 1990SIM/BEA

–C4F6 19.6 82
Ir(H)(h5-C5Me5)(PMe3)–nC4H9 52.0 217.6 Review 1992DRA/WON
Ir(111, surf.)–nC4H10 11.5G0.3 48.1G1.3 QP-MS 1995JOH/WEI

–(CH3)3CH 11.3G0.3 47.3G1.3
–(CH3)3CD 11.5G0.3 48.1G1.3
–(CD3)3CH 11.7G0.3 49.0G1.3
–(CH3)4 11.3G0.3 47.3G1.3
(C(O)CF3)(PPh3)2(Cl)2Ir–L
LZCH3CN 16.9G0.2 70.7G0.8 Calorimetry 1992HOF
Et2NH 3.7G0.2 15.5G0.8
C5H10NH 12.0G0.6 50.2G2.5
LZpyridine 17.7G0.9 74.1G3.8 Calorimetry 1992HOF
4-CH3–pyridine 18.6G0.3 77.8G1.3
LZCH3S(O)CH3 18.4G0.4 77.0G1.7 Calorimetry 1992HOF
tetrahydrofuran !4.4G1.3 !18.4G5.4
Ir(H)(h5-C5Me5)(PMe3)–C6H5 (1) 80.6G3.6 337.2G15 (1) Calorimetry (1) 1987NOL/HOF

(2) 76.7 321 (2) Review (2) 1990SIM/BEA
(3) 82.0 343.1 (3) Review (3) 1992DRA/WON
–c-C6H11 (1) 50.8G1.7 212.5G7
(2) 52.1 218
Ir(R)(h5-C5Me5)(PMe3)–L
LZc-C5H9 51.4 215 Review 1990SIM/BEA
C5H11 58.3 244
2,3-Me2Bu 57.4 240
CH2CMe2Et !55.7 !233
LZP(OCH3)3 21.0G0.6 87.9G2.5 Calorimetry 1992HOF
P(OCH3)2CC2H5 23.4G0.9 97.9G3.8
19.3.2 IrC–X bonds

Table 19.3.2 BDEs of IrD–X Bonds
BDEs (boldfaceZ
recommended data;
IrC–H (1) 66.7 279.1 (1) Review (1) 1990OHA/GOD

(2) 73.1G1.4 305.7G5.8 (2) GIB MS (2) 2005LI/ZHA
–D (2) 72.4G1.4 302.8G5.8
(CO)(h5-C5H5)(L)IrC–H
LZP(p-C6H4CF3)3 75.1 314.2 Electrochemical 1996WAN/ANG
P(p-C6H4F)3 75.3 315.1
PPh3 74.9 313.4
PPh2Me 75.2 314.6
PMe2Ph 75.3 315.1
PMe3 75.0 313.8
(continued)
Table 19.3.2 (continued) BDEs of IrC–X Bonds
BDEs (boldfaceZ
recommended data;
PEt3 74.3 310.9

PCy3 74.2 310.5
(CS)(h5-C5H5)PPh3IrC–H 71.6 299.6 Electrochemical 1996WAN/ANG
(COD)(L)IrC–H
LZh5-C5H5 72.0 301.2 Electrochemical 1996WAN/ANG
h5-C5MeH4 71.5 299.2
1,3,5-C5Me3H2 72.2 302.1
C5Me4H 71.6 299.6
CODZ1,5-cyclooctadiene
(CO)(L)(h5-C5Me5)IrC–H
LZCO 71.3 298.3 Electrochemical 1996WAN/ANG
PMe3 72.9 305.0
PPh2Me 72.3 302.5
PPh3 72.4 302.9
P(p-C6H4CF3)3 74.0 309.6
P(p-C6H4Cl)3 74.8 313.0
1,5-cyclooctadiene 72.2 302.1
IrC–C (1) 140G20 586G84 (1) Derived (1) 1974GUR/KAR

IP in ref.
IrC–CH2 O111 O464 FT-ICR 1991IRI/BEA
IrC–C2H4 56 234.3 Review 1998SCH/SCH
IrC(O)x–O
xZ0 (1) 59 247 Derived (1) 2000SCH/SCH
1 (1) 125 523
(2) !119 !498 (2) 2004LAV/BLA
chapter twenty
BDEs of Ni(NiG)–, Pd(PdG)–, and

Pt(PtG)–X bonds
20.1 Ni–, NiC–, and NiK–X bonds

20.1.1 Ni–X bonds
Table 20.1.1 BDEs of Ni–X Bonds
BDEs (boldfaceZ
recommended data;
Ni–Ni (1) 54.5 228 (1) MS (1) 1964KAN

(2) 55.6 233 (2) Review (2) 1979MIE/GIN
(3) 47.98G0.05 200.74G0.19 (3) Spectroscopy (3) 1995PIN/LAN
(4) 40.1 167.7 (4) Review (4) 1996SMI/YAT
(5) 48.8 204 (5) Review (5) 2001ARM
Ni(Ni)x–Ni
xZ1 (1) 20.8 87 (1) Review (1) 2001ARM
2 (1) 37.8 158
3 (1) 65.0 272
4 (1) 79.8 334
5 (1) 54.3 227
6 (1) 64.8 271
7 (1) 65.5 274
8 (1) 65.7 275
9 (1) 67.6 283
10 (1) 79.8 334
11 (1) 84.4 353
12 (1) 71.2 298
13 (1) 79.6 333
(continued)
903
Table 20.1.1 (continued) BDEs of Ni–X Bonds
BDEs (boldfaceZ
recommended data;
14 (1) 81.3 340

15 (1) 84.8 355
16 (1) 81.0 339
N (2) 102.4 428 (2) Review (2) 1994ARM/HAL
Ni(100, surf.)–Ni 14.5 (phys) 60.8 FIM 1980TUN/GRA
Ni(100, surf.)–Ni 120 502 Review 1995SEE/ALL
Ni(110, surf.)–Ni (1) 7.4 (phys) 30.9 (1) FIM (1) 1980TUN/GRA
(2) 9.8–12.4 40.9 – 51.7 (2) HAS (2) 1997GRA/SIL
(3) 14.9G0.6 62.2G2.5 (3) HAS (3) 1998SIL/GRA
Ni(111, surf.)–Ni (1) 7.6 (phys) 31.8 (1) FIM (1) 1980TUN/GRA
(2) 12.4G0.9 51.7G3.9 (2) HAS (2) 2001GRA/TOE(b)
Ni(111, surf.)–Ni 123 515 Review 1995SEE/ALL
Ni(311, surf.)–Ni 6.9G0.7 (phys) 28.9G2.9 FIM 1980TUN/GRA

Ni(331, surf.)–Ni 10.3G1.5 43.1G6.3
Ni–Pd 33.7 140.9 Spectroscopy 1990TAY/SPA
Ni–Pt 65.4G0.1 273.7G0.3 Spectroscopy 1990TAY/SPA(b)
Ni(100,surf.)–Pt 15.9 (phys) 66.6 FIM 1992KEL
Ni(100,surf.)–Pt 137 573 Review 1995SEE/ALL

BDEs of Ni(NiG)–, Pd(PdG)–, and Pt(PtG)–X Bonds 905
Ni(111,surf.)–Pt !5.1 (phys) 21.2 FIM 1992KEL
AlNi(110,surf.)–Pt 11.1 46.3 FIM 2001NIL/COR
Ni(100, surf.)–Na 58.1G2.3 243.1G9.6 TDS 1970GER/RHO

Ni(110, surf.)–Na 50.3G2.3 210.3G9.6
Ni(111, surf.)–Na (1) 58.6G2.3 245.1G9.6 TDS (1) 1970GER/RHO

(2) 58 242.7 (2) 1986ALB
Ni(100, surf.)K–K 1.5G0.3 (phys) 6.1G1.4 Scattering 1997FUH/HUL
Ni(110, surf.)–K 59.0G2.3 247.0G9.6 TDS 1970GER/RHO

–Cs 62.7G2.3 262.4G9.6
Ni–Y 67.86G0.1 283.9G0.1 Spectrometry 1994ARR/BLU
Ni–Zr 66.9G0.1 279.8G0.1 Spectrometry 1994ARR/BLU
Ni–V 49.3G0.1 206.3G0.2 Spectrometry 1990SPA/MOR
Ni–Nb 65.0G0.01 271.9G0.1 Spectrometry 1994ARR/BLU
(continued)
BDEs (boldfaceZ
recommended data;
Ni–Cu (1) 47.4G5 198.3G20.9 (1) MS (1) 1970KAN/STR

(2) 48.9G5.8 204.6G24.3 (2) Review (2) 1986MOR
(3) 48.2G2.3 201.7G9.6 (3) Spectrometry (3) 1989FU/MOR
Ni(100, surf.)–Cu (1) 8.1G0.5 33.8G1.9 (1) STM (1) 1996MUL/NED

(2) 9.5G1.6 39.6G6.8 (2) LEED (2) 1998BRU
Ni(surf.)–Ag 36.9G6.9 154.4G28.9 Dadio 1963GOE/PEA
Ni(polycs. surf.)–Ag 24 (phys) 100 FIM 1970OIN/GRE
Ni(polycs. surf.)–Ag 98 410 Review 1995SEE/ALL
Ni–Au (1) 58.8G7 246G29 (1) Review (1) 1986MOR

(2) 59.0G3.9 247G16.4 (2) Spectroscopy (2) 1992SPA/MOR
Ni–Al 53.7G1.2 224.7G4.8 Spectrometry 1993BEH/ARR
Ni(110, surf.)–He 0.1 0.4 HAS 1983GAR/BAR
ONi(100, surf.)–He (1) 0.18 0.76 HAS (1) 1979CAN/TAT

(2) 0.18 0.76 (2) 1998WHI/SEN
Ni(100, surf.)–Xe w5.2 w21.7 TPS 1982CHR/DEM(b)
Ni(111, surf.)–Xe (1) 7 29.3 (1) PE (1) 1983DOL/ALN

(2) 4.4G0.2 18.4G0.8 (2) LOD (2) 1996WON/ZHU
Ni–H (1) 59.4G2 248.5 (1) MS (1) 1979KAN/MOO

(2) 60G3 251G13 (2) Review (2) 1985SQU
(4) 59.5G3.7 248.9G15.4 (4) CID (4) 1990FIS/ARM
(5) 57.4G2 240G8 (5) Review (5) 1996ARM/KIC
Ni–D %72.4 %302.9 Spectroscopy (6) 1979HUB/HER
Ni(polycs. surf.)–H (1) 7G1 (phys) 29G4 (1) FEM (1) 1957WOR/GOM
(2) 2.9 12.1 (2) H2-conversion (2) 1968VOL/JUN
Ni(polycs. surf.)–H 46G4 192G17 FEM 1970WOR/GOM
Ni(100, surf.)–H (1) 4.0G0.5 (phys) 16.7G2.1 (1) LITD (1) 1985GEO/SAN
(2) 3.5 14.6 (2) LITD (2) 1987MUL/ROO
(3) 3.2 13.4 (3) LITD (3) 1991LIN/GOM
(4) 3.5 14.6 (4) LOD (4) 1992LEE/ZHU
(5) 3.8 15.9 (5) LLD (5) 1992ZHU/LEE
Ni(100, surf.)–D (1) 4.4 (phys) 18.4 (1) LITD (1) 1987MUL/ROO
(2) 3.6 15.1 (2) LITD (2) 1991LIN/GOM
(3) 5.0 20.9 (3) LOD (3) 1992LEE/ZHU
Ni(100, surf.)–H (1) 63 263.6 (1) TPD (1) 1974CHR/SCH

(2) 64 268 (2) Review (2) 1991BEN
Ni(110, surf.)–H (1) 5.2 (phys) 21.8 (1) H2-conversion (1) 1968VOL/JUN
(2) 1.4 5.8 (2) STM (2) 1998NAB/ZHU
Ni(110, surf.)–H (1) 61.7–62.6 258–262 (1) TPD (1) 1984PEN/CHR

(2) 64 268 (2) Review (2) 1991BEN
Ni(111, surf.)–H (1) 3.0 (phys) 12.6 (1) H2-conversion (1) 1968VOL/JUN
(2) w3 w12.6 (2) LITD (2) 1991LIN/GOM
(continued)
BDEs (boldfaceZ
recommended data;
(3) 3.4 14.2 (3) SHD (3) 1993LEE/ZHU

(4) 4.5 18.9 (4) LOD (4) 1997CAO/NAB
Ni(111, surf.)–D (1) w3.4 (phys) w14.2 (1) LITD (1) 1991LIN/GOM
(2) 3.8 15.9 (2) SHD (2) 1993LEE/ZHU
(3) 5.0 21.0 (3) LOD (3) 1997CAO/NAB
Ni(111, surf.)–H 62 259 Review 1991BEN
Ni–F 102.4G4.6 428.4G19.3 Spectroscopy 1990DEV/MCQ
Ni(Cl)x–Cl
xZ0 (1) 90.1G1.6 377.0G6.7 (1) MS (1) 1995HIL
DfH0 in ref.
1 (2) 90.2 377.3
Ni–Br 86G3 360G13 Review 1968GAY

Ni–I 70G5 293G21
Ni–O (1) 91.1G3.9 381G16.4 (1) Spectrometry (1) 1989MER

(2) 60.0G4.6 251G19 (2) CID (2) 1990FIS/ARM
(3) 87.5G7.2 366G30 (3) HT MS (3) 1993WAT/THI
Ni(100, surf.)–O (1) 124.3 520 (1) Calorimetry (1) 1998BRO/KOS

(2) 120.8 505.4 (2) Review (2) 2003ZEI
Ni(110, surf.)–O (1) 115.9 485
(2) 124.2 519.7
Ni(100, p2!2, surf.)–O 105 439 Review 1991BEN

Ni(100, c2!2, surf.)–O 101 422
Ni(111, surf.)–O (1) 112.1 469 Review (1) 1991BEN

(2) 112.3 470 (2) 1998BRO/KOS
(3) 115.0 481.1 (3) 2003ZEI
Ni–S (1) 82.3 344.3 (1) MS (1) 1967DRO/PAT

(2) 85G5 356G21 (2) Review (2) 1974GUR/KAR
Ni(polycs. surf.)–S 15–28 (phys) 63–117 FEM 1983BLA/BLA
Ni(110, surf.)–S 112 469 Review 1982BAR/AGR
Ni(111, surf.)–S 6.7–6.9 (phys) 28–29 FIM 1985KEL
Ni(111, surf.)–S (1) 112 469 Review (1) 1982BAR/AGR

(2) 85 356 (2) 1995SEE/ALL
Ni(powder)–S 34.3G4.3 143.5G18.0 Equilibrium 1980MCC/WIS

g-Al2O/Ni –S 34.2G3.9 143.1G16.3
Ni(100, surf.)–N 141.8 593.3 Review 2003ZEI
Ni(110, surf.)–N (1) 137 573 Review (1) 1991BEN

(2) 145.8 610 (2) 2003ZEI
Ni(111, surf.)–N (1) 138 577
(2) 135 565
Ni–C (1) R78.0 R326.4 Spectrometry (1) 2002BRU/MOR

(2) 80.5 337.0 (2) 2006RAO/RED
Ni(polycs. surf.)–C 6.9 (phys) 28.9 Review 1995SEE/ALL
Ni(polycs. surf.)–C (1) 173 724 (1) AES (1) 1974SHE/PAT

(2) 170 711 (2) Review (2) 1995SEE/ALL
(continued)
BDEs (boldfaceZ
recommended data;
Ni(110, surf.)–C 45.7 191 Adsorption 1999BRO/KOS
Ni(100, p(2!2, surf.)–C 169 707 Review 1991BEN

Ni(111, p(2!2, surf.)–C 160 669
Ni–Si 76.0G4.1 318G17 MS 1969MAH/MCL
Ni–Ge (1) 63G5 264G21 MS (1) 1968KAN/STR

(2) 66.4G2.9 278G12 (2) 1985GIN/SHI
(3) 69.4G2.6 290.3G10.9 (3) 1988SHI/KIN
Ni(foil)–H2 7–10 (phys) 29–42 TDS 1990CAB
Ni(foil)–H2 28–30 117–126 TDS 1990CAB
Ni(polycr. surf.)–H2 (1) 29 121 Calorimetry (1) 1958KLE/STO

(2) 25.3 106 (2) 1964BRE/HAY
(3) 18 75 (3) 1966BRO/WED
(4) 27.4 114.5 (4) 1967LAP
(5) 18 75 (5) 1972WED/FIS
Ni(polycr. surf.)–D2 19.1 80 Calorimetry 1971WED/BRO
Ni(100, surf.)–H2 (1) 23.1 97 (1) TDS (1) 1973LAP/NEI

(2) 23 96 (2) LEED/FDS (2) 1974CHR/SCH
(3) 22 92 (3) TPRS (3) 1979KO/MAD
(4) 21.3G1 89.1G4 (4) TPD (4) 1981JOH/MAD
Ni(100, 2!2, surf.)S–H2 17.4G2 72.8G8.4 TPD 1981JOH/MAD
Ni(110, surf.)–H2 (1) 19.5 (a-state) 82 (1) TDS (1) 1971ERT/KUE

(1) 29.5 (b-state) 123
(2) 22.3 93.3 (2) FD MS (2) 1973MCC/FAL
(3) 20.3 85 (3) TDS (3) 1973LAP/NEI(b)
(4) 21.5 90 (4) LEED/FDS (4) 1974CHR/SCH
(5) 21.5 90 (5) Review (5) 1978MAD/BEN
Ni(111, surf.)–H2 (1) 22.7 95 (1) TDS (1) 1972LAP/NEI(b)

(2) 23 96 (2) LEED/FDS (2) 1974CHR/SCH
Ni(polycr. surf.)–D2 19.1 80 Calorimetry 1971WED/BRO
Ni(100, surf.)–D2 4.2 (phys) 17.6 LITD 1986MUL/ROO
Ni(111, surf.)–D2 21.3 89.1 TPD 1987MIL/SID
Ni(111, surf.)–Cl2 75.5 316 TDS 1980ERL
Ni–O2 w57 w239 Kinetics 1992MIT
Ni(polycr. surf.)–O2 (1) 107 448 (1) Calorimetry (1) 1965BRE/HAY

(2) w150 w627 (2) Calorimetry (2) 1958KLE/STO
(4) 89 372 (4) Calorimetry (4) 1960WED
(5) 107 448 (5) Review (5) 1982RAO/KAM
Ni(100, surf.)–O2 (1) 128.1 536 Calorimetry (1) 1996VAT/YEO

(2) 131.5G1.8 550G7.5 (2) 1997STU/WAR
Ni(110, surf.)–O2 (2) 113.5G2.6 475G11
Ni(111, surf.)–O2 (2) 105.2G4.5 440G19
Ni(211, surf.)–O2 (3) 148.2 620 (3) 2004KAR/FIO
NiO(polycr. surf.)–O2 54 226 Review 1964HAY/TRA
(continued)
BDEs (boldfaceZ
recommended data;
Ni(111, surf.)–OH 87 364 Adsorption 1989YAN/WHI
Ni(CO)3–N2 w10 w42 Kinetics 1983TUR/SIM
Ni(polycr. surf.)–N2 w10 w42 Calorimetry 1950BEE/COL
Ni(100, surf.)–N2 0.16 (phys) 0.66 HAS 1996BER/STE
Ni(100, surf.)–N2 6–10 25–42 TD 1968KIN
Ni(110, surf.)–N2 0.13 (phys) 0.55 HAS 1996BER/STE
Ni(110, surf.)–N2 (1) 8.5 35.5 TD (1) 1979GRU/DRI

(2) w8.6 w36 (2) 1980GOL/GRU
(3) 9.6G0.4 40G1.5 (3) 1986GOL/GRU
Ni(111, surf.)–N2 (1) w7 w29 (1) TD (1) 1968KIN

(2) 8.4 35.1 (2) IRAS (2) 1991YOS/ZEN
Nix–N2
xZ19 18.3G0.4 76.8G1.6 FTR 1998PAR/NIE
20 19.0G0.4 79.3G1.5
21 20.1G0.4 84.0G1.6
22 19.9G0.4 83.1G1.6
23 19.5G0.4 81.6G1.8
24 19.6G0.6 81.9G2.4
25 20.2G0.3 84.4G1.2
26 19.3G0.3 80.6G1.3
27 19.4G0.5 81.3G2.1
28 17.8G0.4 74.5G1.6
29 17.8G0.3 74.5G1.3
30 17.9G0.4 74.7G1.6
31 18.4G0.5 76.8G1.9
32 19.0G0.3 79.4G1.4
33 18.4G0.4 77.1G1.5
34 17.4G0.4 72.9G1.7
35 19.1G0.3 79.8G1.4
36 18.8G0.5 78.8G1.9
37 17.1G0.3 71.7G1.4
38 16.2G0.3 67.9G1.1
39 16.1G0.2 67.2G1.0
40 16.3G0.3 68.0G1.1
41 17.7G0.5 74.2G1.9
42 17.0G0.3 71.0G1.2
43 17.4G0.4 73.0G1.6
44 17.4G0.3 72.7G1.1
45 16.7G0.2 70.0G1.0
46 17.2G0.3 71.8G1.3
47 17.7G0.3 74.0G1.1
48 17.4G0.3 72.9G1.3
49 17.4G0.2 72.9G0.9
50 16.8G0.3 70.4G1.3
51 16.9G0.3 70.9G1.3
52 16.9G0.3 70.8G1.3
53 17.5G0.3 73.1G1.2
54 17.2G0.4 71.9G1.8
55 17.1G0.4 71.4G1.6
56 16.8G0.5 70.3G1.9
57 16.3G0.4 68.1G1.5
58 17.4G0.3 72.6G1.1
59 17.4G0.5 72.8G2.2
60 17.0G0.3 71.2G1.1
61 17.3G0.5 72.2G2.0
62 17.2G0.5 71.9G2.0
63 17.4G0.5 72.6G1.9
64 17.9G0.8 75.0G3.2
65 17.4G0.7 73.0G2.8
66 17.8G0.5 74.4G2.0
67 17.3G0.5 72.4G2.2
68 18.3G0.5 76.4G1.9
69 17.9G0.5 74.8G2.0
70 17.6G0.7 73.5G2.9
71 16.7G0.7 70.0G2.9
Ni(100, surf.)–NO 23 96 TPD 1980PRI/BAK
Ni(100, surf.)–NO (1) 101.8 426 (1) Calorimetry (1) 1996VAT/YEO

(2) 92.0 385 (2) Updated (2) 1998BRO/KOS
(continued)
BDEs (boldfaceZ
recommended data;
Ni(111, surf.)–NO 25 105 TDS 1975CON/ERT
Ni(211, surf.)–NO 38.2 160 Calorimetry 2003KAR/FIO
NiO(100, surf.)–NO (1) 12.0 50.2 TDS (1) 1991KUH/ODO

(2) 13.1 55.0 (2) 2000FRE
Ni(CO)x–CO
xZ0 (1) 29G15 121G63 (1) PES (1) 1982STE/FEI
(2) 25.8 107.9 (2) CL (2) 1988MCQ/MOR
(3) 40.5G5.8 169.5G24.3 (3) CID (3) 1992SUN/WAN
1 (1) 54G15 226G63
(3) 47.1G5.8 197G24
2 (1) 13G10 54G42
(3) 28.3G2.3 118.4G9.6
3 (1) 25G2 104.6G8.4
(4) 21.5G0.4 90.0G1.7 (4) Kinetics (4) 1968DAY/BAS
Ni(polycr. surf.)–CO (1) 35 146 Calorimetry (1) 1950BEE

(2) w33 w138 (2) 1958KLE/STO
(3) 42 176 (3) 1965BRE/HAY
(4) 30 125 (4) 1974WED/PAP
Ni(foil)–CO 6–10 (phys) 25–42 TDS 1990CAB
Ni(foil)–CO 30–36 126–151 TDS 1990CAB
Ni(100, surf.)–CO (1) 5.0 (phys) 21 (1) LITD (1) 1986MUL/ROO

(2) 6.4 26.8 (2) LITD (2) 1987ROO/COS
(3) 0.6–0.8 2.6–3.2 (3) HAS (3) 1996HOF/TOE
(4) 1.4 5.8 (4) HAS (4) 2003GRA
Ni(100, surf.)–CO (1) 29.4 123 (1) Calorimetry (1) 1993STU/ALS

(2) 29.2G1 122G4 (2) TDS (2) 1993ALS/STU
(3) 30.4 127 (3) TDS (3) 1994TAK/YOS
(4) 32.3G1.2 135G5 (4) TPD (4) 1996MUS/MAD
(5) 29.2 122 (5) Calorimetry, (5) 2000GE/KOS
updated
Ni(100, 2!2, surf.)S–CO 26.1G1 109.2G8.4 TPD 1981JOH/MAD
Ni(110, surf.)–CO (1) 3.9 16.4 (1) TD (1) 1967DEG(b)

(2) 2.8–4.0 (phys) 11.7–16.7 (2) LOD (2) 1993XIA/XIE
(3) 0.8–1.3 3.4–5.5 (3) HAS (3) 1996HOF/TOE
(4) 2–3 8–13 (4) LOD (4) 1997XIA/XIE
Ni(110, surf.)–CO HAS 1996BER/HOF

parallel to !110O 1.31G0.09 (phys) 5.50G0.39
perpendicular to !001O 0.81G0.09 3.38G0.39
Ni(110, surf.)–CO (1) 32.5 136 (1) HR–LEED (1) 1987BAU/HOC

(2) 30.6 128 (2) Kinetics (2) 1990FEI/DES
(3) 25–32 105–134 (3) Calorimetry (3) 1993STU/ALS
(4) 31.8 133 (4) Equilibrium (4) 1994TAK/YOS
updated
Ni(111, surf.)–CO (1) 6.9 (phys) 28.9 (1) Diffraction (1) 1988ZHU/RAS
(2) 6.8 28.5 (2) FEM (2) 1990LIN/LU
Ni(111, surf.)–CO (1) 25.8 108 (1) TDS (1) 1986FRO/KOH

(2) 29.1 122 (2) TPD (2) 1987MIL/SID
(3) 26 109 (3) Calorimetry (3) 1993STU/ALS
(4) 31.1 130 (4) Equilibrium (4) 1994TAK/YOS
updated
Ni(211, surf.)–CO 33.2 139 Calorimetry 2003KAR/FIO(b)
Ni(511, surf.)–CO 6.4 (phys) 26.8 FEM 1990LIN/LU
(continued)
BDEs (boldfaceZ
recommended data;
Ni(511, surf.)–CO 28.5 119 Review 1995SEE/ALL
Ni(14 13 13, surf.)–CO 28.4 119 TPD 2004BJO/CHE
NiO(100, surf.)–CO (1) 10.4G2 43.5G8 (1) IR (1) 1994VES/XU

(2) 7.0–8.8 29–37 (2) TDS (2) 1995CAP/KLI
(3) 6.9 28.9 (3) TDS (3) 1999WIC/ROD(b)
Ni(100, surf.)/H2–CO 15.7 65.7 TPD 1983KOE/PEE
Ni(110, surf.)CO–CO 1.8 (phys) 7.4 Diffraction 1993XIA/XIE
Ni(polycr. surf.)–CO2 (1) 44 184 (1) Review (1) 1964HAY/TRA

NiO(polycr. surf.)–CO2 28 117 Review 1964HAY/TRA
Ni(110, surf.)–CH 45.7 191 TPD 1999BRO/KOS

–CH2 45.7 191
Ni–H2O w7 w29 Kinetics 1994MIT/BLI(b)
Ni(111, surf.)–H2O (1) 10 42 TPD (1) 1982MAD/NET

(2) 11.5G0.5 48.1G2.1 (2) 1985STU/THI
Ni(111, surf.)/K–H2O 12.4G0.7 52G3 Equilibrium 1994KUC/SCH

Al2O3/NiAl 10.7 44.8 TPD 2006OZE/PED

(111, surf.)–H2O
Ni(100, surf.)–H2S 39.2 164 Review 1982BAR/AGE
NiO(polycr. surf.)–ON2 46 192 Review 1964HAY/TRA
Al2O3/NiAl 8.7 36.6 TPD 2006OZE/PED

(111, surf.)–ON2
Ni(polycr. surf.)–NH3 37.0 155 Calorimetry 1953WAH/KEM
Ni(110, surf.)–NH3 20 84 TDS 1985KLA/ALV
Ni(111, surf.)–NH3 (1) 21.0 87.9 (1) Combined (1) 1983RED/ZEI

(2) 17 71 (2) ESDIAD (2) 1987DRE/LAN
NiO(100, surf.)–NH3 w30 w126 TPD 1993WU/TRU
Ni–CH3 (1) 55G3 230G13 (1) GIB MS (1) 1989GEO/FIS

(2) 49.7G2 208G8 (2) Review (2) 1996ARM/KIC
Ni(100, surf.)–CH3 3.1G0.4 (phys) 13.0G1.7 SIMS 1987ZHO/WHI
Ni(100, surf.)–CH3 %34 %142 TPD, revised 1992TJA/ZAE
Ni(polycs. surf.)–CH4 11 46 Review 1964HAY/TRA
Ni(111, surf.)–CH4 (1) 2.7 11.4 (1) Re-cal. (1) 1993SZU/LEV

(2) 3.0 12.5 (2) Mol. beam (2) 2004KAO/MAD
(continued)
BDEs (boldfaceZ
recommended data;
Ni(100, surf.)–C2H6 9.6 40.2 TPD 1988SAU/GOO

–C3H8 3.8 15.9
–nC4H10 3.1 13.0
Ni(111, surf.)–C2H6– 5.1 21.3 Mol. beam 2004KAO/MAD

–C3H8 7.2 30
–nC4H10 8.8 37
Ni(100, surf.)–CH3OH 14.0 58.6 LID 1987HAL
Ni(100, surf.) 25.5 106.7 Decomposition 1979BEN/MAD

–HCO(O)D
Ni–C2H2 46G6 193G25 Kinetics 1994MIT/BLI
Ni(100, surf.)–C2H2 63.1 264 Calorimetry 2000VAT/YEO
Ni(110, surf.)–C2H2 45.4 190 Calorimetry 1999BRO/KOS
Ni–C2H4 35.2G4.2 147.3G17.6 Fluorescence 1994MIT
Ni(polycr. surf.)–C2H4 (1) 60 251 (1) Calorimetry (1) 1950BEE/COL

(2) 58 243 (2) Review (2) 1964HAY/TRA
Ni(100, surf.)–C2H4 w12 (phys) w48 TPD 1993TJA/ZAE
Ni(100, surf.)–C2H4 48.5 203 Calorimetry 2000VAT/YEO
Ni(110, surf.)–C2H4 10.8–12.9 (phys) 45–54 AES/MS 1977ZUH/HUD

Ni(110, surf.)–C2H4 28.7 120 Calorimetry 1999BRO/KOS
Ni(100, surf.)–C3H7I 9.8 41.0 TPD 1995TJA/FRA

–C4H9I 11.0 46.0
–C5H11I 11.0 46.0
–C6H13I 11.6 48.5
Ni(100, surf.)–CH3 13.5 56.5 TPD 2001ZAE

–C2H5 9.3 38.9
–s-C4H9 12.3 51.5
–t-C4H9 10.5 43.9
–n-C5H11 11.1 46.4
–neo-C5H11 11.1 46.4
–n-C6H13 11.7 49.0
Ni–C6H6 20–30 84–125 Derived 2001PAN/RAO
Ni–propyne 37G5 155G21 Kinetics 1994MIT/BLI

–2-butyne 29G5 121G21
(CO)2Ni–(N-heterocyclic
carbenes)
R N N R
RZ2,4,6-trimethylphenyl (1) 46.5 194.6 FT–IR (1) 2005DOR/STE

2,6-diisopropylphenyl (1) 45.4 190.0
t-butyl (1) 44.3 185.4
(2) 39G3 163.2G12.6 (2) 2003DOR/STE
cyclohexyl (1) 46.3 193.7
adamantyl (1) 46.5 194.6
(2) 43G3 179.9G12.6
carbenes)
..
R N N R
RZ2,4,6-trimethylphenyl 47.2 197.5 FT–IR 2005DOR/STE

2,6-diisopropylphenyl 46.1 192.9
t-butyl 45.1 188.7
(continued)
BDEs (boldfaceZ
recommended data;
Ni(CO)2–L
LZPH3 25.7 107.5 FT–IR 2005DOR/STE
PPh3 30.0 125.5
P(tBu)3 34.3 143.5
carbenes)
R N N R

t-butyl 21.8 91.2
carbenes)
..
R N N R

t-butyl 24.0 100.4
cyclohexyl 39.6 165.7
adamantyl 20.4 85.4
Ni(CO)3–L
LZPH3 22.7 95.0 FT–IR 2005DOR/STE
PPh3 26.7 111.7
P(tBu)3 28.0 117.2
(cod)Ni–(cod) 50.0 209.2 Review 1994NOL

codZ1,
5-cyclo-ctadiene
(CO)4Ni–Fe(CO)5 9.0 37.7 Equilibrium 1983BAE/FED

20.1.2 NiC– and NiK–X bonds

Table 20.1.2 BDEs of NiD– and NiL–X Bonds
BDEs (boldfaceZ
recommended data;
NiC–Ni (1) 48.0G1.6 200.8G6.7 (1) CID (1) 1991LIA/SU

(2) 54.4G0.5 227.6G1.9 (2) R2PI (2) 1994ASH/BEL(d)
(3) 52.7G0.6 220.3G2.4 (3) Spectrometry (3) 1995PIN/LAN
(4) 49.8 208 (4) CID (4) 1996ARM/KIC
NiC(Ni)x–Ni
xZ1 (1) 56.2 235 (1) CID (1) 1996ARM/KIC
2 (1) 47.6 199
3 (1) 53.3 223
4 (1) 65.7 275
5 (1) 70.7 296
6 (1) 63.3 265
7 (1) 67.6 283
8 (1) 67.6 283
9 (1) 70.0 293
10 (1) 80.1 335
11 (1) 84.1 352
12 (1) 71.5 299
13 (1) 79.8 334
14 (1) 80.8 338
15 (1) 84.6 354
16 (1) 81.5 341
N (2) 102.4 428 (2) Review (2) 1994ARM/HAL
NiC–Fe (1) 64G5 268G21 (1) PD 1987HET/FRE

(2) !68G5 !285G21 (2) Ion reactions
NiC(He)x–He
1 3.42G0.1 14.3G0.4
2 1.34G0.1 5.6G0.4
NiC(Ne)x–Ne
1 2.16G0.1 9.0G0.4
(continued)
Table 20.1.2 (continued) BDEs of NiC– and NiK–X Bonds
BDEs (boldfaceZ
recommended data;
NiC–Ar (1) 13.6 56.8 (1) PD (1) 1988LES/BRU

(2) 13.96G0.01 58.41G0.06 (2) PD (2) 1994ASH/BEL
(3) 12.9 53.9 (3) GDMS (3) 1995BAR/SMI
NiC
2 –Ar 69.2 289 PD 1988LES/BRU(b)
NiC–H (1)!71 !297 Ion reactions (1) 1979ALL/RID

(2) 42.9G2.1 179.5G8.7 (2) 1980ARM/BEA(b)
(3) 39.7G1.8 166G8 (3) 1986ELK/ARM
(4) 37.8G1.8 158.1G7.7 (4) 2005LIU/ZHA
NiC(Ni)x–D
xZ0 (1) 39.7G1.8 166.0G7.7 Ion reactions (1) 2002LIU/LIY
1 (1) 70.1G2.3 293.3G9.6
(2) 66.4G2.1 277.9G8.7 (2) 2004LIU/ZHA
2 (1) 46.1G2.3 193.0G9.6
(2) 39.4G3.2 165.0G13.5
3 (1) 44.7G3.7 187.2G15.4
(2) 41.0G2.5 171.7G10.6
4 (1) 48.2G3.5 201.6G14.5
(2) 48.9G2.8 204.5G11.6
5 (1) 52.1G4.4 218.1G18.3
(2) 50.7G2.8 212.3G11.6
6 (1) 51.0G6.5 213.2G27.0
(2) 49.3G3.0 206.5G12.5
7 (1) 48.4G9.5 202.6G39.6
(2) 47.7G2.1 199.7G8.7
8 (1) 51.7G7.8 216.1G32.8
(2) 52.1G2.8 218.1G11.6
9 (1) 55.8G7.6 233.5G31.8
(2) 56.3G3.5 235.4G14.5
10 (1) 60.6G8.8 253.8G36.7
(2) 58.3G2.5 244.1G10.6
11 (1) 57.2G8.1 239.3G33.8
(2) 57.9G3.0 242.2G12.5
12 (1) 60.0G7.8 250.9G32.8
(2) 56.3G3.5 235.4G14.5
13 (1) 60.9G7.8 254.7G32.8

(2) 58.1G3.2 243.1G13.5
14 (1) 58.8G8.8 246.0G36.7
(2) 59.0G3.5 247.0G14.5
15 (1) 61.6G8.5 257.6G35.7
(2) 59.3G3.2 248.0G13.5
(CO)4NiC–H (1) 62G3 259.4G12.6 (1) Thermochem. (1) 1981STE/BEA

(2) 59.3G2.2 248G9 (2) Review (2) 1990SIM/BEA
(h5-C5H5)(L)NiC–H
LZNO (1) 78G3 326.4G12.6 (1) Thermochem. (1) 1981STE/BEA
(2) 75.3G3.3 315G14 (2) Review (2) 1990SIM/BEA
(h5-C5H5) (1) 54G3 225.9G12.6
(2) 51.4G3.1 215G13
NiC–F (1) R109 R456 (1) Ion reactions (1) 1979ALL/RID

–Cl (2) 45.9G0.9 192G4 (2) CID (2) 1989FIS/SUN
–Br (1) O69 O289
–I (1) O71 O297
NiC(H2)x–H2
xZ0 17.3G0.3 72.4G1.3 Equilibrium 1998KEM/WEI(b)
1 17.6G0.3 73.6G1.3
2 11.3G0.3 47.3G1.3
3 7.1G0.3 29.7G1.3
4 4.2G0.2 17.6G0.8
5 0.8G0.2 3.3G0.8
NiC–C 100 418 Spectrometry 2002BRU/MOR
NiC–CH 71.9G2.8 301.0G11.6 GIB MS 2005LIU/ZHA
NiC(Ni)x–CD
xZ0 71.9G2.8 301.0G11.6 Ion reactions 2004LIU/ZHA
1 111.4G2.8 466.0G11.6
2 121.3G3.2 507.5G13.5
(continued)
BDEs (boldfaceZ
recommended data;
3 117.6G2.8 492.1G11.6
4 118.5G3.5 495.9G14.5
5 116.9G3.9 489.2G16.4
6 113.2G4.6 473.7G19.3
7 121.5G4.8 508.5G20.3
8 122.9G4.6 514.3G19.3
9 131.7G4.8 550.9G20.3
10 131.4G4.8 550.0G20.3
11 135.1G4.4 565.4G18.3
12 137.2G6.2 574.1G26.1
13 139.3G5.8 582.8G24.1
14 138.6G4.8 579.9G20.3
15 140.4G4.8 587.6G20.3
NiC(Ni)x–CD2
xZ0 73.1G0.9 305.9G3.9 Ion reactions 2004LIU/ZHA
1 87.4G2.0 365.7G8.7
2 89.2G1.8 373.4G7.7
3 w83 w347
9 w87.6 w367
10 89.0G1.8 372.4G7.7
11 90.4G2.0 378.2G8.7
12 90.6G2.3 379.2G9.6
13 92.2G2.5 385.9G10.6
14 93.2G2.3 389.8G9.6
15 92.5G2.8 386.9G11.6
NiC–CF2 (1) 47G7 197G29 (1) Ion beam (1) 1983HAL/ARM

–CH2 (1) 86G6 360G25
(2) 75.2G1.6 314.5G6.8 (2) GIB MS (2) 1990FIS/ARM
(3) 73.1G1 306G4 (3) Review (3) 1996AEM/KIC
(4) %70.5G1.2 %295G5 (4) PD (4) 2000HUS/AGU
(5) 73.8G1.8 308.7G7.7 (5) GIB MS (5) 2005LIU/ZHA
NiC(CH3)x–CH3
xZ0 (1) !56 !234 (1) Ion reactions (1) 1979ALL/RID
(2) 48G5 201G21 (2) Ion beam (2) 1984MAN/HAL
(3) 44.7G1.4 187G6 (3) GIB MS (3) 1989GEO/FIS
(4) 40.6G1.6 169.8G6.8 (4) GIB MS (4) 2005LIU/ZHA

1 (5) O51.1 O214 (5) Review (5) 1990SIM/BEA
NiC(CH4)x–CH4
xZ0 (1) 24.9 104.2 (1) Equilibrium (1) 2001ZHA/KEM(b)
(2) 23.1G1.2 96.5G4.8 (2) GIB MS (2) 2005LIU/ZHA
1 (1) 26.5 110.9
2 (1) 9.3 38.9
3 (1) w5.5 w23
4 (1) w2.0 w8.4
5 (1) w2.0 w8.4
NiC–C2H2 (1) O34.8G4.8 145.7G20.3 (1) GIB MS (1) 1990FIS/ARM

(2) O4.3G4.3 O18.2G18.3 (2) Revised (2) 1994FIS/ARM
NiC–CHCH3 (1) 45G2 188G8 (1) IRMPD (1) 1997SUR/RAN

(2) 53G6 222G25 (2) GIB MS (2) 1989GEO/FIS
–C2H5 (2) 53.1G5.8 222G24
–C2H6 (2) 28G5 117G21
(3) 28.7G3 120.1G12.6 (3) KERD (3) 1995CAR/KOP
NiC(C2H4)x–C2H4
xZ0 (1) 44G5 184G21 (1) Ion reactions (1) 1988HAN/BEA
(2) O34.8G4.8 O146G20 (2) Ion reactions (2) 1990FIS/ARM
(3) 43.6G2.5 182G11 (3) Ion reactions (3) 1998SIE/JAR
(4) 42 175.7 (4) Review (4) 1998SCH/SCH
1 (3) 41.3G3.3 173G14
NiC(h5-C5H5)x–(h5-C5H5)
xZ0 91.3G1.7 382G7 TRPD 1995LIN/DUN
1 74.8G1.7 313G7
NiC(C6H6)x–C6H6
xZ0 (1) 58.1G2.6 243G11 (1) CID (1) 2000ROD/ARM(b)
(2) Rw43.6 Rw182 (2) PD (2) 2005JAE/DUN
1 (2) 35.1G2.9 147G12
NiC–O (1) 45.9G2.3 192G10 CID (1) 1982ARM/HAL

(2) 66.0G1.8 275.9G7.7 (2) 1990FIS/ARM
(continued)
BDEs (boldfaceZ
recommended data;
NiC(Ni)x–O
xZ1 109.3G0.7 457.3G2.9 GIB MS 2003VAR/LIY
2 97.5G3.2 408.1G13.5
3 75.9G1.4 317.4G5.8
4 68.9G2.3 288.5G9.6
5 68.0G1.2 284.6G4.8
6 56.7G2.3 237.3G9.6
7 57.2G0.5 239.3G1.9
8 71.3G2.5 298.1G10.6
9 72.6G0.7 303.9G2.9
10 63.0G2.8 263.4G11.6
11 77.3G1.6 323.2G6.8
12 66.9G1.2 279.8G4.8
13 83.2G0.5 348.3G1.9
14 78.9G0.9 330.0G3.9
15 66.2G0.9 276.9G3.9
16 71.9G1.6 301.0G6.8
17 69.4G1.8 290.4G7.7
NiC(Ni)x–2O
xZ2 183.1G7.8 766G33 Review 2003VAR/LIY
3 200.4G8.1 838G34
4 211.5G6.7 885G28
5 211.0G7.4 883G31
6 210.1G8.3 879G35
7 220.5G8.3 922G35
8 213.5G9.0 893G38
9 204.5G9.0 856G38
10 216.5G9.5 906G40
11 213.8G9.5 894G40
12 210.1G9.2 879G39
13 204.8G9.7 857G41
14 200.2G10.1 837G42
15 190.7G10.1 798G42
NiC(H2O)x–OH
xZ0 (1) !91 !381 (1) Ion reactions (1) 1979ALL/RID
(2) 42.2 177 (2) CID (2) 1989MAG/DAV(b)
(3) 56.2G4.5 235G19 (3) Review (3) 1996ARM/KIC
(4) %64.8G2.2 %271G9 (4) PD (4) 2000THO/AGU
(5) 36.6 153 (5) ES MS (5) 2000VUK/STO
1 (4) 79.8G1.2 %334G5
NiC(CO)x–CO
xZ0 (1) 38G5 159G21 (1) KERD (1) 1988HAN/BEA
(2) 42.4G2.5 177.5G10.6 (2) CID (2) 1995KHA/STE
(3) 41.8G2.5 175G11 (3) CID, revised (3) 2000ROD/ARM
1 (2) 40.4G2.5 168.8G10.6
(3) 40.2G2.5 168G11
2 (2) 22.6G1.4 94.6G6.8
(3) 22.0G1.4 92G6
3 (2) 18.4G0.7 77.2G2.9
(3) 17.2G0.7 72G3
NiC–CO2 24.9G0.2 104G1 PD 1994ASH/BEL(b)
NiC(OH)–H2O %64.8G2.2 %271G9 PD 2000THO/AGU
NiC(H2O)x–H2O
xZ0 (1) 36.5 152.7 (1) CID (1) 1989MAG/DAV(b)
(2) 39.7 166.1 (2) CID (2) 1989MAR/SQU
(3) 43.9G0.8 183.7G3.3 (3) CID (3) 1994DAL/HON
1 (1) 38.0 159.0
(2) 40.6 169.9
(3) 40.2G1.8 168.2G7.5
2 (3) 16.2G1.5 67.8G6.3
3 (3) 12.3G1.5 51.5G6.3
NiC(h5-C5H5)–H2O 43.1 180.3 Derived 1984STO/SPL
NiC(h5-C5H5)–CH3OH (1) 46.3 193.7 (1) Derived (1) 1984STO/SPL

(2) 45.6 190.8 (2) Correction (2) 1990SIM/BEA
–CH3SH (2) 47.1 197.1
NiC(h5-C5H5)–C2H5OH 47.5 198.7 Correction 1990SIM/BEA

–i-PrOH 49.5 207.1
–t-BuOH 50.8 212.5
NiC(h5-C5H5)–MeCHO 47.0 196.7 Correction 1990SIM/BEA

–EtCHO 48.1 201.3
–C2H3CHO 49.3 206.3
–t-BuCHO 49.6 207.5
(continued)
BDEs (boldfaceZ
recommended data;
NiC(h5-C5H5)–MeOMe 46.9 196.2 Correction 1990SIM/BEA

–MeOAc 50.9 213.0
–EtOEt 50.9 213.0
–MeSMe 51.1 213.8
NiC(h5-C5H5)–MeC(O)Me (1) 51.4 215.1 (1) Derived (1) 1984STO/SPL

–MeC(O)OMe (1) 51.6 215.9
NiC–furan 59 247 FT–ICR 2004GRI/MAN
NiC–S (1) 60G5 251G21 (1) PD (1) 1986JAC/FRE

(2) 57.8G1 242G4 (2) PD (2) 2001HUS/AGU
(3) 57.6G0.9 241.0G3.9 (3) CID (3) 2002RUE/ARM
–CS (3) 56.0G2.3 234.5G9.6
NiC(N2)x–N2
xZ0 26.5G2.5 110.9G10.5 CID 1995KHA/STE
1 26.5G2.5 110.9G10.5
2 13.4G0.9 56.1G3.8
3 10.1G2.3 42.3G9.6
NiC(NO)x–NO
xZ0 (1) 43G5 180G21 (1) Ion reactions (1) 1985CAS/FRE
(2) 54.4G1.8 227.6G7.5 (2) CID (2) 1995KHA/STE
1 (2) 29.3G1.6 122.6G6.7
2 (2) 27.4G1.2 114.6G5.0
NiC(h5-C5H5)–NO (1) %43G3 %180G12.6 (1) PD (1) 1979BUR/FRE

–HCN (2) 47.6 199.2
NiC–N2O 25.3G0.1 105.8G0.3 PD 1995BEL/BUT

NiC–NH2 55.6G1.8 232.5G7.7 GIB MS 1991CLE/ARM
NiC(NH3)x–NH3
xZ0 (1) 51.2 214.2 CID (1) 1989MAR/SQU
(2) 56.9G4.5 238G19 (2) 1998WAL/ARM
1 (1) 55.1 230.5
(2) 60.0G2.9 251G12
2 (1) 17.8 74.5
(2) 22.2G1.9 93G8
3 (2) 8.4G1.4 35G6
NiC(h5-C5H5)–NH3 (1) 53.0 221.8 (1) Derived (1) 1984STO/SPL

–PH3 (2) 45.5 190.4
NiC(h5-C5H5)–MeCN (1) 53.9 225.5 (1) Derived (1) 1984STO/SPL

–MeNC (2) 57.6 241.0
NiC(h5-C5H5)–MeNH2 (1) 55.9 233.9 (1) Derived (1) 1984STO/SPL

–Me2NH (1) 57.5 240.6
(2) 56.8 237.7
–NMe3 (1) 57.1 238.9
(2) 56.4 236.0
–PMe3 (2) 57.6 241.0
–AsMe3 (2) 57.2 239.3
NiC–pyridine 61.3G3.6 256.5G15.2 CID 2000ROD/STA

NiC(L)x–L, LZpyrrole
xZ0 O68 O285 Kinetics 2000GAP/YAN
1 47.0 196.6
NiC–adenine 72.0G2.4 301.3G10.1 CID 2002ROD/ARM
NiC–imidazole 67.8G2.2 283.8G9.4 CID 2004RAN/AMU
(continued)
BDEs (boldfaceZ
recommended data;
NiC–Si (1) 77.9G1.6 326G6.7 CID (1) 1995KIC/ARM(b)

–SiH (2) 77.9G3.5 326G15 (2) 1995KIC/ARM
–SiH2 (2) R55.1G1.6 R230.5G6.7
(3) 67G6 280G25 (3) 1986HAY/KRU
–SiH3 (2) 44.0G2.8 184.1G11.7
NiC–SiH(CH3) O60 O251 CID 1986HAY/KRU

–Si(CH3)2 O69 O289
Ni–C bonds
NiC(tmc)–CH2K4-C6H4X
XZH 19G1 80G4 Kinetics 2003SCH/HAL
F 18G2 75G8
Cl 16G6 67G25
tmcZ1,4,8,11-tetramethyl-
1,4,8,11-tetra-azacyclo-
tetradecane
Ni2C(H2O)x–H2O
xZ5 (1) 24.1G1.0 100.8G4.2 (1) IR radiation (1) 1998ROD/JOC
6 (1) 17.6G0.8 73.6G3.3
7 (1) 17.1G0.7 71.5G2.9
(2) 15G3 62.8G12.6 (2) HP MS (2) 1990BLA/JAY(b)
8 (2) 15G3 62.8G12.6
9 (2) 15G3 62.8G12.6
10 (2) 14G3 58.6G12.6
11 (2) 14G3 58.6G12.6
12 (2) 14G3 58.6G12.6
20.1.3 NiK–X bonds

Table 20.1.3 BDEs of NiL–X Bonds
BDEs
NiK–Ni (1) 43.3G0.7 181.2G2.9 (1) PES (1) 1993HO/POL

(2) 42.7G0.3 178.5G1.4 (2) Derived (2) 1995PIN/LAN
NiK–Cu (1) 40.1G0.5 167.7G1.9 (1) Derived (1) 1996WAR/GUN

EA in ref.
NiK–H 44.7G2 187G8 Derived 1991ARM/SUN
(CO)5NiK–Cl 79.2 331.4 Kinetics 1989JON/MCD

–Br 70.9 296.6
–I 55.0 230.1
(O)NiK–O 129.0 539.5 Derived from 1996NIST

DfH0 in ref.
NiK(CO)x–CO
xZ0 (1) 21G15 88G63 (1) Laser PES (1) 1982STE/FEI
(2) 32.4G5.8 136G24 (2) CID (2) 1992SUN/SQU
1 (1) 51G15 213G63
(2) 43.4G5.8 182G24
2 (1) 23G9 96G38
(2) 38.5G2.3 161G10
20.2 Pd–, PdC–, and PdK–X bonds

20.2.1 Pd–X bonds
Table 20.2.1 BDEs of Pd–X Bonds
BDEs (boldfaceZ
recommended data;
Pd–Pd (1) 26G5 109G21 (1) MS (1) 1969LIN/KAN(b)

(2) 25.8 108 (2) Review (2) 1979MIE/GIN
(3) 24.6G3.6 102.9G15 (3) MS (3) 1984SHI/GIN
(4) O32.5 O136 (4) Spectroscopy (4) 1990TAY/SPA
(5) 18.4 77.0 (5) Review (5) 1996SMI/YAT
Pd(100, surf)–Pd 12–14 (phys) 50–59 LEED 1993EVA/SAN
Pd(100, surf)–Pd 89 372 Review 1995SEE/ALL
Pd(111, surf)–Pd 17.5G1.8 (phys) 73.3G7.7 PACT 1990HUN/HAA
Pd–Ni 33.7 140.9 Spectroscopy 1990TAY/SPA(b)
Pd–Pt 45.7 191.0 Spectroscopy 1990TAY/SPA(b)
Pd(111, surf.)–K 3.0 (phys) 12.6 PEEM 1993OND/STE
Pd(111, surf.)–K 29 121 Review 1995SEE/ALL
Pd(111, surf.)–Ca 83–86 347–360 LEED 2004JER/PRI
Pd–Ba 53.0G1.2 221.8G5.0 MS 1978GIN/CHO
Pd–Y 57.6G3.6 241G15 MS 1989CHA/GIN

Pd–Ce 76.2G5 319G21 MS 1989CHA/GIN
Pd(100, surf)–Ag 8.5G0.7 (phys) 35.7G2.9 HAS 1996FEL/VAN
Pd–Au 34.1G5 142.7G21 Review 1986MOR
Pd–Al 60.8G2.9 254.4G12.1 MS 1976COC/GIN
Pd(100, 2x2, surf.)–Al 9.5G0.5 (phys) 39.6G1.9 LEIS 2004GLA/SAM
Pd(110, surf.)–He 0.15 0.6 HAS 1983RIE/STO
Pd(100, surf.)–Kr 4.5 18.8 LEED 1984MOO/WEB
Pd(100, surf.)–Xe (1) 7.6 31.8 LEED (1) 1971PAL

(2) 9.4 39.3 (2) 1984WAN/HUL
(3) 6.2 26.1 (3) 1984MOO/WEB
Pd(110, surf.)–Xe 10.2 42.7 LEED/UPS 1984WAN/HUL
Pd(111, surf.)–Xe (1) 8.3 34.7 (1) LEED/UPS (1) 1984WAN/HUL

(2) 7.4G0.2 30.9G1.0 (2) LEED/TPD (2) 2003ZHU/ELL
Pd–H 56G6 234G25 Ion reactions 1986TOL/BEA
Pd(polycs. surf.)–H 13–14 (a-state) 54–59 TDS 1971ALD/SCH

22 (b1-state) 92
23 (b2-state) 96
35 (b3-state) 146
Pd(100, surf.)–D 12.0 (phys) 50.2 TDS 1988BES/STE
(continued)
Table 20.2.1 (continued) BDEs of Pd–X Bonds
BDEs (boldfaceZ
recommended data;
Pd(100, surf.)–H 63.6 266 Review 1998CHR
Pd(110, surf.)–H 64 267 Review 1974CON/ERT
Pd(111, surf.)–H 62 259 Review 1974CON/ERT
Pd(110, surf.)–Cl 65 272 TDS 1982ERL
Pd(111, surf.)–Cl 60.5 253 TDS 1980ERL
Pd–O (1) 91 381 (1) Review (1) 1990SIM/BEA

(2) 56.9G3 238.1G12.6 (2) MS (2) 2000HIL/LAU
Pd(surf.)–O 86 360 TPD 1994MAD/ROB
Pd(100, surf.)–O 12.5G1 52.3G4.2 LEED 1987CHA/THI
Pd(110, surf.)–O (1) 80 335 (1) LEED/MS (1) 1969ERT/RAU

(2) 83.9–99.4 351–416 (2) Review (2) 1991BEN
(3) 94.1 393.7 (3) Review (3) 2003ZEI
Pd(100, surf.)–O (1) 84.0 351
(2) 91.5 382.8
Pd(111, surf.)–O (1) 87 364
(2) 87.2 364.8
Pd(100, surf.)–S 99 414 Review 1982BAR/AGR

Pd(111, surf.)–S 92 385
Pd(100, surf.)–N 136.5 571.1 Review 2003ZEI

Pd(110, surf.)–N 140.4 587.4
Pd(111, surf.)–N 130.0 543.9
Pd–B (1) 78.6G5 329.0G21 (1) MS (1) 1970MAH/PEE

(2) 84G4 351.5G16.7 (2) Review (2) 1974GUR/KAR
Pd–C 104.2G4.8 436G20 Review 1990SIM/BEA
Pd(111, surf.)–C 25.6 (phys.) 107 TPD 2006GAB/HAY
Pd–Si 62.4G2.9 261G12 MS 1987SHI/KIN
Pd–Ge (1) 61.3G2.9 256.6G12 (1) MS (1) 1971PEE/MAH

(2) 62.9G2.4 263G10 (2) Review (2) 1985GIN/SHI
(3) 60.9G2.5 254.7G10.5 (3) MS (3) 1986SHI/KIN
Pd(polycr. surf.)–H2 (1) 28.7–29.9 120–125 Calorimetry (1) 1978COU/JOH

(2) 17.9–22.7 75–95 (2) 1987WED
Pd(100, surf.)–H2 24.5 102.5 LEED 1980BEH/CHR
Pd(110, surf.)–H2 5.4 (phys) 22.6 Kinetics 1986PED/KAY
Pd(110, surf.)–H2 24.4 102.1 TDS 1974CON/ERT
Pd(111, surf.)–H2 (1) 20.8 87.0 TDS (1) 1974CON/ERT

(2) 20.0 83.7 (2) 1982KIS/BLI
Pd(100, surf.,-S)–H2 20.3 85 TPD 1990BUR/MAD
Pd(110, surf.)–D2 22.8 95.4 TDS 1974CON/ERT
(continued)
BDEs (boldfaceZ
recommended data;
Pd(111, surf.)–Cl2 45.4 190 TDS 1980ERL
Pd–O2 19–37 80–155 Kinetics 2003CAM/PLA
Pd(polyc. surf.)–O2 (1) w67 w280 (1) Calorimetry (1) 1960BRE/HAY

(3) 40.6 170 (3) Review (3) 1982RAO/KAM
Pd(111, surf.)–O2 (1) 12.3 (phys. 51.5 (1) TPD (1) 1989GUO/HOF
a1-state)
(1) 9.1 (a2-state) 38.1
(1) 7.6 (a3-state) 31.8
(2) 7.3 30.9 (2) EELS (2) 1998NOL/LUT
Pd(111, surf.)–O2 (1) w55 w230 TPD (1) 1977CON/ERT

(2) 53 222 (2) 1989GUO/HOF
Pd(surf.)–OH (1) 60G3 251G13 (1) Adsorption (1) 1983FUJ/SEL

(2) 51 213 (2) Adsorption (2) 1984STU/JOR
(3) 48 201 (3) Desorption (3) 1992AND/MOO
Pd(polyc. surf.)–N2 6–10 25–42 TD 1968KIN
Pd(100, surf.)–NO (1) 37.0 155 (1) Calorimetry (1) 1997YEO/VAT

(2) 26.3 110 (2) Calorimetry, (2) 1998BRO/KOS
updated
Pd(110, surf.)–NO 29.6 124 TPD 1993RAV/HAR

Pd(111, surf.)–NO (1) 31 130 (1) Review (1) 1979ERT

(2) 38 159 (2) TPD (2) 1991WIC/BAN
Pd(polyc. surf.)–CO (1) 48 201 (1) Calorimetry (1) 1965BRE/HAY

(2) R38 R159 (2) IR (2) 1967KAV/SOK
(3) 41.1 172 (3) Review (3) 1996CER
Pd(100, surf.)–CO (1) 36.5 153 (1) FDMS (1) 1974CON/ERT(b)

(2) 38.5 161 (2) TDS (2) 1980BEH/CHR(b)
(3) 38 159 (3) IRAS (3) 1993SZA/KUH
(4) 39.4 165 (4) Calorimetry (4) 1997YEO/VAT
updated
Pd(110, surf.)–CO 4.8 (phys) 20 TD 1967DEG(c)

9.0 38
Pd(110, surf.)–CO (1) 45.2 189 (1) TD (1) 1967DEG(c)

(2) 41 172 (2) FDMS (2) 1969ERT/RAU
(3) 40 167 (3) FDMS (2) 1974CON/ERT(b)
Pd(111, surf.)–CO (1) 12.0G0.7 50G2.9 (1) PEEM (1) 1992OER/ROT

(phys)
(2) 4.0G0.3 16.7G1.2 (2) PEEM (2) 1997SNA/BOR
(3) 2.7G0.1 11.4G0.5 (3) STM (3) 2005MIT/ROS
Pd(111, surf.)–CO (1) 34 142 (1) FDMS (1) 1974CON/ERT(b)

(2) 31.5 132 (2) TDS (2) 1982KIS/BLI
(3) 33.4 140 (3) TPD (3) 1986NOO/KOK
(4) 35.5 148.5 (4) TPD (4) 1989GUO/YAT
(5) 30 125.5 (5) IRAS (5) 1993SZA/KUH
Pd(210, surf.)–CO 35 146 FDMS 1974CON/ERT(b)

Pd(311, surf.)–CO 35.5 149
Pd(100, surf.)S–CO 9 38 TDS 1988YAM/RUN
(continued)
BDEs (boldfaceZ
recommended data;
Au(111, surf.)/Pd–CO 32 133.9 TPD 1994SEL/KOE
MgO(100, surf.)/ 16.1G2.3 67.5G9.6 TDS 2001ABB/RIE

Pd–CO
Pd(100, surf.)–PbO 131.4 550 UPS 1982BAD/RIC
Pd(111, surf.)–NO2 14–16 59–67 TPD 1991WIC/BAN
Pd(100, surf.)–CH3Cl 46.9 196 TPD 1990SOL/BER
Pd(100, surf.)–CH3OH 9.0 37.7 EELS 1982CHR/DEM
Pd(100, surf.)–C2H2 26.8 112 Calorimetry 2000VAT/YEO

–C2H4 17.4 73
Pd(111, surf.)–C2H2 4.2 17.4 STM 1998DUN/ROS
Pd(110, surf.)–C2H4 12.9–13.4 54–56 STM 1998ICH/YOS
Pd(111, surf.)–C2H4 w12.9 w54 Mol. beam 1984TYS/NYB
Pd(111, surf.)–C3H6 18.9G0.2 79.2G0.9 TPD 1999THO/ABD
Pd(110, surf.)–C6H6 w13.1 (phys) w55 STM 1996YOS/TAN

Pd(110, surf.)–C6H6 25.4 106.1 STM 1991FUJ/SEK
Pd(111, surf.)–RCl 14.3–15.3 60–64 Desorption 2000ZHO/GEL

RZCH3(CH2)n,
nZ0–5
Pd(111, surf.)–C6H6 40.6G1.7 170G7 Desorption 2004ROC/ARN
Pd–(h3C3H5Ch3C5H5) 53.0 221.9 EID 1994SAU/ERM
Pd(110, surf.)–PVBA 19.1G0.7 80.1G2.9 STM 1999WEC/BAR

PVBAZ4-trans-2-
(pyrid-4-yl-vinyl)
benzoic acid
Pd(110, surf.)–C60 32.3G0.5 135.1G1.9 Review 2003ROS/SCH
20.2.2 PdC–X bonds

Table 20.2.2 BDEs of PdD–X Bonds
BDEs (boldfaceZ
recommended data;
PdC–Pd (1) 39G12 163G50 (1) Derived (1) 1974GUR/KAR

IP in ref.
PdC–H (1) 45G3 188G13 Ion reactions (1) 1984MAN/HAL

(2) 48.6G0.9 203.3G3.8 (2) 1995CHE/ELK
(3) 49.8G2.1 208.4G8.7 (3) 1997CHE/SIE
(4) 65.7G1.2 275G5 (4) 2001ZHA/LIY
–H2 (4) 35.1G2.8 146.7G11.6
PdC–C (1) 126.2G1.2 528G5 Ion reactions (1) 2001ZHA/LIY

–CH (1) 128.2G2.3 536G10
–CH2 (1) 110.7G0.7 463G3
(continued)
Table 20.2.2 (continued) BDEs of PdC–X Bonds
BDEs (boldfaceZ
recommended data;
(2) 115G4 481G17 (2) 1994WES/SCH

(3) 68.1G1.2 285G5 (3) 1999ARM(c)
PdC(CH3)x–CH3
xZ0 (1) 59G5 247G21 Ion reactions (1) 1984MAN/HAL
(2) 43.4G2.3 181.4G9.6 (2) 1997CHE/SIE
(3) 61.6G1.8 258G8 (3) 2001ZHA/LIY
1 (4) O37 O155 (4) 1990SIM/BEA
PdC–CH4 40.8G1.8 170.8G7.7 Ion reactions 2001ZHA/LIY
PdC–C2H2 (1) O6.9G1.2 O28.9G4.8 (1) Ion reactions (1) 1997CHE/SIE

–C2H3 (1) 59.0G2.1 247.0G8.7
–C2H4 (1) O16.1 O67.5
(2) 28 117.2 (2) Review (2) 1998SCH/SCH
–C2H5 (1) 55.8G2.1 233.5G4.8
PdC–C3H3 55–78 230–326 Ion reactions 1997CHE/SIE

–C3H5 O78 O328
–C3H6 O26 O108
PdC–O 34.7G2.5 145G11 CID 1995CHE/ARM(c)
PdC–S 47.1G1.4 197G6 Ion reactions 2003ARM
PdC–Si 69G12 289G50 Derived 1974GUR/KAR
PdC–CS 47.8G3.3 200G14 CID 2000ROD/ARM(b)

20.2.3 PdK–X bonds

Table 20.2.3 BDEs of PdL–X Bonds
BDEs (boldfaceZ
recommended data;
PdK(Pd)x–Pd
xZ0 (1) 50.5G3.9 211.2G16 (1) PES (1) 1991HO/ERV
1 (2) 52.6G9.6 220G40 (2) CID (2) 1998SPA/ERV
2 (2) R57.4G9.6 R240G40
PdK(Pd)2(CO)x–CO
xZ0 40.6G7.2 170G30 CID 1998SPA/ERV
1 40.4G5 169G21
2 33.9G5 142G21
3 26.1G3.3 109G14
4 25.6G3.3 107G14
5 26.3G3.8 110G16
20.3 Pt–, PtC–, and PtK–X bonds

20.3.1 Pt–X bonds
Table 20.3.1 BDEs of Pt–X Bonds
BDEs (boldfaceZ
recommended data;
Pt–Pt (1) 86.3G3.6 361G15 (1) MS (1) 1981GUP/NAP

(2) 73.3G0.5 306.7G1.9 (2) Spectrometry (2) 1988TAY/LEM
Pt–Pt(N2) w9.2 w38.6 PEDt 2005NEE/STA
Pt(100, surf.)–Pt 10.8G0.2 45.3G1.0 FIM 1990KEL/FEI
Pt(100, surf.)–Pt2 9.5 39.6 FIM 1991KEL/VOT
(continued)
Table 20.3.1 (continued) BDEs of Pt–X Bonds
BDEs (boldfaceZ
recommended data;
Pt(100, surf.)–Pt3 13.1 55.0 FIM 1994KEL(b)
Pt(110, surf.)–Pt 19.4G2.3 81.0G9.6 FIM 1978BAS/WEB
Pt(111, surf.)–Pt (1) 5.8G0.5 24.1G1.9 (1) FIM (1) 1994FEI/NEL

(phys)
(2) 6.0 25.1 (2) STM (2) 1996BOT/HOH
(3) 6.0G0.1 25.1G0.3 (3) STM (3) 1998KYU/GOL
Pt(111, surf.)–Pt2 8.5G0.5 35.7G1.9 STM 1998KYU/GOL
Pt(311, surf.)–Pt (1) 15.9G4.6 66.6G19.3 FIM (1) 1978BAS/WEB

(2) 13.8G0.7 57.9G2.9 (2) 1986KEL
Pt(331, surf.)–Pt 19.4G2.3 81.0G9.6 FIM 1978BAS/WEB
Pt–Ni 65.4G0.1 273.7G0.3 Spectrometry 1990TAY/SPA(b)
Pt(100, surf.)–Ni w10.4 (phys) w43.4 FIM 1991KEL/WRI
Pt–Pd 45.7 191.0 Spectrometry 1990TAY/SPA(b)
Pt(100, surf.)–Pd 16.1 (phys) 67.5 FIM 1991KEL/WRI
Pt(100, surf.)–Pd 100 418 Review 1995SEE/ALL
Pt(111, surf.)–Na !1.2 (phys) !4.8 Scattering 2001GRA/TOE

Pt(111, surf.)–K (1) 65 272 TDS (1) 1982GAR/SOM

(2) 63.7 266.5 (2) 1986ALB
Pt(polycr. surf.)–Ba 31.1G23.1 (phys) 130.3G9.6 FEM 1976KUL
Pt(polycr. surf.)–Ba (1) 126.7 530 (1) FEM (1) 1976KUL

(2) 115 481 (2) Review (2) 1995SEE/ALL
Pt–Ti 95.0G2.5 397.5G10.6 Review 1986MOR
Pt–Y 113.3G2.9 474G12 MS 1989CHA/GIN

–La 120.7G2.9 505G12
–Ce 131.5G1.2 550G5
–Lu 96.1G8 402G34
Pt–Th 131.6G10 551G42 MS 1973GIN
Pt(111, surf.)–W 7 (phys) 29 FIM 1978BAS/WEB
Pt(111, surf.)–W 150 628 Review 1995SEE/ALL
Pt(311, surf.)–Ir 17.1G3.5 71.4G14.5 FIM 1978BAS/WEB

Pt(110, surf.)–Ir 18.4G3.5 77.2G14.5
Pt(111, surf.)–Ag 3.6 (phys) 15.1 TSM 1994BRU/ROD
Pt(111, surf.)Ag–Ag 1.4G0.2 (phys) 5.8G1.0 STM 1995BRU/BRO
Pt(311, surf.)–Au 12.9G2.3 54.0G9.6 FIM 1978BAS/WEB

Pt(110, surf.)–Au 14.5G3.5 60.8G14.5
Pt(110, surf.)–He 0.20 0.84 HAS 1990KIR/PAR
(continued)
BDEs (boldfaceZ
recommended data;
Pt(111, surf.)–He (1) 0.2 0.8 HAS (1) 1972WEI

(2) 0.1 0.4 (2) 1989BOR/CEL
Pt(111, surf.)–Ne 0.3 1.4 Calorimetry 1962CHO/FIS
Pt(111, surf.)–Ar 1.3 5.5 Calorimetry 1962CHO/FIS
Pt(111, surf.)–Kr 1.1 4.6 TITD 1993MEI/GEO(b)
Pt(111, surf.)–Kr (1) 3.7G0.1 15.5G0.4 (1) LITD (1) 1993MEI/GEO(b)

(2) 3.1 12.9 (2) Mol. beam (2) 2001CAR/MAD
Pt(111, surf.)–Xe 1.2 5.0 LITD 1993MEI/GEO
Pt(111, surf.)–Xe (1) 6.3 26.4 (1) HAS (1) 1986KER/DAV

(2) 6.2 26.0 (2) Scattering (2) 1990ARU/MAD
(3) 9.5G0.9 39.5G3.9 (3) Scattering (3) 1990RET/BET
(4) 6.6G0.2 27.6G0.8 (4) LITD (4) 1993MEI/GEO
(5) 6.7 28.1 (5) TDS (5) 1998WID/TRI
Pt(997, surf.)–Xe 7.0 29.2 TDS 1998WID/TRI
Pt–H (1) 80.1 %335 (1) Spectroscopy (1) 1979HUB/HER

(2) 84.1G9 352G38 (2) Review (2) 1990SIM/BEA
(3) 79.0 330 (3) FT–ICR (3) 1999DIE/BRO
Pt–D %83.7 %350.2 Spectroscopy 1979HUB/HER

Pt2(H)x–H
xZ0 w47G3.8 w197G15.9 Est. by exp. 1991HER/GOO
1 R47 R197
Pt2 ðP2 O5 H2 Þ44KKH 103 431 PAC 1991HER/GOO
trans-Pt(PPh3)2(Cl)–H 73.4G8.8 307G37 Calorimetry 1994NOL
[Ph2PCH2]2MePt–H 25.0 104.6 Review 1992DRA/WON
Pt(polycs. surf.)–H w4.5 (phys) w19 FEM 1969LEW/GOM
Pt(polycs.surf.)–H (1) 60.9 255 (1) Review (1) 1988CHR

(2) 61.7 258 (2) Electrochemical (2) 2004GOM/ORT
Pt(100, surf.)–H 59 247 Review 1991BEN
Pt(110, surf.)–H (1) 58 243 (1) Review (1) 1991BEN

(2) 63.0 263.5 (2) Adsorption (2) 1995PAS/WAR
Pt(111, surf.)–H 6.9 (phys) 28.9 LERS 1997UME/ITO
Pt(111, surf.)–H (1) 56.7 237.5 Adsorption (1) 1976CHR/ERT

(2) 61.9 259 (2) 1977MCC/SCH
Pt(surf.)–Hupd (under (1) 55–62 230–260 Electrochemical (1) 1997ZOL/BLA

potentially deposited (2) 58.6–63.3 245–265 (2) 1997ZOL/CHA
hydrogen)
Pt(111, surf.)–Hupd (1) 60–63 250–262 (1) 1997ZOL/JER

(underpotentially (2) 57.5 240 Electrochemical (2) 1999MAR/SCH
deposited hydrogen)
(continued)
BDEs (boldfaceZ
recommended data;
Pt(111, surf.)–Hupd (in 45.7–52.1 191–218 Electrochemical 2005JER/DEB

aqu. H2SO4),
(underpotentially
deposited hydrogen)
Pt(111, surf.)–Hchem 60.9 255 Electrochemical 1999ZOL/JER

(chemisorbed
hydrogen)
MoPt3 –Hupd 66.7 279 Electrochemical 2004JAK/KRA

(underpotentially
deposited hydrogen)
MoPt4–Hupd 50.9 213 Electrochemical 2004VRA/KRS

(underpotentially
deposited hydrogen)
Pt2–Cl 49.9G2.4 208.8G10 PAC 1991HER/GOO
Pt2 ðP2 O5 H2 Þ44K– Cl 106 443.5 PAC 1991HER/GOO
Pt(110, surf.)–Cl 59.5 249 TDS 1982ERL
Pt(111, surf.)–Cl 47.5 199 TDS 1980ERL
Pt2–Br 32G3.1 133.9G13 PAC 1991HER/GOO
Pt2 ðP2 O5 H2 Þ44K– Br 88.5 370.3 PAC 1991HER/GOO
Pt(111, surf.)–Br 25.4 106.1 TPD 1998XU/YUR

Pt2–I 34G4.0 142.3G16.7 PAC 1991HER/GOO
Pt2 ðP2 O5 H2 Þ44K– I 90.5 378.7 PAC 1991HER/GOO
Pt–O 93.5G10 391G42 Review 1990SIM/BEA
Pt(surf.)–O 83 347 TPD 1994MAD/ROB
Pt(polycs. surf.)–O 39 (phys) 163 TDS 1974PEN/DAW
Pt(polycs. surf.)–O 54 226 TDS 1974PEN/DAW
Pt(100, surf.)–O 34 (phys) 142 FEM 1968LEW/GOM
Pt(100, surf.)–O (1) 82 343 Review (1) 1991BEN

(2) 70 293 (2) 1995SEE/ALL
(3) 89.3 373.6 (3) 2003ZEI
Pt(110, surf.)–O (1) 27 (phys) 113 (1) FEM (1) 1968LEW/GOM

(2) 30 126 (2) PEEM (2) 1994OER/ROT
Pt(110, surf.)–O (1) 58 243 (1) FEM (1) 1970FUS/EHR

(2) 69.3 290 (2) FDMS (2) 1975KNE/NET
(3) 102.1 427 (3) Calorimetry (3) 1998BRO/KOS
(4) 91.8 384 (4) Review (4) 2003ZEI
Pt(111, surf.)–O (1) 27 (phys) 113 (1) FEM (1) 1968LEW/GOM

(2) 25.4 106 (2) TPD (2) 1989BAR/KOE
Pt(111, surf.)–O (1) 85 356 (1) TPD (1) 1989PAR/BAR

(2) 58 243 (2) Review (2) 1995SEE/ALL
(3) 96.8 405 (3) Calorimetry (3) 1998BRO/KOS
(4) 50.9 213 (4) TPD (4) 2005WEA/CHE
(continued)
BDEs (boldfaceZ
recommended data;
Pt(111, surf.)–Oad w83.7 w350 Electrochemical 1999MAR/SCH

(adsorpted)
Pt(111/0001, surf.)–O 85.0 355.6 Review 2003ZEI
Pt(112, surf.)–O 84.3 353 Review 1991BEN
Pt(111, surf.)–S 13.1G1.2 (phys) 55.0G4.8 STM 2000BAR
Pt–N 89.4G2.3 374.2G9.6 GIB MS 2004ZHA/ARM
Pt(foil)–N 121 506 Review 1991BEN
Pt(100, surf.)–N 121.8 509.6 Review 2003ZEI

Pt(110, surf.)–N 125.3 524.3
Pt(111/0001, surf.)–N 116.0 485.3
Pt–P %99.6G4 %416.7G16.7 MS 1971SMO/HUG
Pt(111, surf.)–Bi 81 339 TDMS 1986PAF/CAM
Pt–C 145.8G1.2 610G5 Review 1990SIM/BEA

–C2 133 557
Pt(111, surf.)–C w31G4 (phys) w130G17 AES 1978MAR/HUD
Pt(111, surf.)–C 146 611 Review 1955SEE/ALL

Pt–Si 119.8G4.3 501G18 MS 1970MAN/PEE
Pt–B 114.2G4.0 478G16.7 MS 1968MCL/MAH
Pt(polycr. surf.)–H2 (1) 26 109 (1) TD (1) 1963WIE

(2) 16 67 (2) TD (2) 1969LEW/GOM
(3) 16.3 68 (3) TD (3) 1972PRO/VOE
(4) 24.6 103 (4) Calorimetry (4) 1974NOR/RIC
(5) 19.4–21.5 81–90 (5) Calorimetry (5) 1975CER/SMU
Pt(100, surf.)–H2 15–16 63–67 FDMS 1975NET/KNE
Pt(100, 1!1, surf.)–H2 22.6 94.6 TPD 1998LEE/FOR

Pt(Hex-100, surf.)–H2 23.7 99.1
Pt(110, surf.)–H2 (1) 24.4 102.1 (1) TDS (1) 1974CON/ERT

(2) 17 71 (2) Review (2) 1978MAD/BEN
Pt(110, 1!1, surf.)–H2 28.1 117.5 TPD 1998LEE/FOR
Pt(110, 2!1, surf.)–H2 (1) 18 75.3 TPD (1) 1987ENG/TSA

(2) 17.7 74.0 (2) 1998LEE/FOR
Pt(111, surf.)–H2 (1) 9.5 (phys) 39.7 (1) TDS (1) 1976CHR/ERT
(2) 1.7 6.9 (2) Scattering (2) 1983COW/YU
(3) 7G1 29G4 (3) LITD (3) 1986SEE/SCH
(4) 1.57G0.16 6.56G0.48 (4) Scattering (4) 1999GRA/MEN
Pt(111, surf.)–H2 (1) 20.8 87.0 (1) TDS (1) 1974CON/ERT

(2) 17.5 73.2 (2) TDS (2) 1977MCC/SCH
(3) 22.9 95.8 (3) TPD (3) 1998LEE/FOR
(continued)
BDEs (boldfaceZ
recommended data;
Pt(111, surf.)–D2 (1) 7G1 (phys) 29G4 (1) LITD (1) 1986SEE/SCH
(2) 1.75G0.16 7.33G0.67 (2) Scattering (2) 1999GRA/MEN
Pt(111, surf.)–D2 16.0G1.7 67G7 Nuclear anal. 1982NOR/DAV
Pt(331, surf.)–H2 18.6 77.8 TPD 1998LEE/FOR

Pt(410, surf.)–H2 18.7 78.2
Pt(111, surf.)–HD (1) 1.3G0.2 5.3G1.0 Scattering (1) 1983COW/YU

(phys)
(2) 1.27 5.31 (2) 1984WHA/LIG
Pt(111, surf.)–Cl2 35.5 149 TDS 1980ERL
Pt(111, surf.)–HCl 4.5 (phys) 18.7 TPD 2005DAS/KIM
Pt(111, surf.)–HCl 21.5 90 TPD 2005DAS/KIM
Pt(polycr. surf.)–O2 (1) 68.8–72 288–301 (1) Calorimetry (1) 1960BRE/HAY

(3) 58 243 (3) TD (3) 1969WEB/FUS
(4) 31.8 133 (4) Review (4) 1982RAO/KAM
Pt(100, surf.)–O2 44.7–69.3 187–290 Review 1979TOY/SOM
Pt(110, surf.)–O2 (1) 80.1 335 (1) Calorimetry (1) 1996WAR/STU

(2) 86.0 360 (2) Updated (2) 1998BRO/KOS
Pt(110, 2!1, surf.)–O2 52.0 217.6 TPD 1998LEE/FOR
Pt(111, surf.)–O2 9.9 (phys) 41.5 STM 1996WIN/SCH
Pt(111, surf.)–O2 (1) 6.7 (peroxo-) 28.0 Mol. beam 1999NOL/LUT

(2) 3.0 12.5
(superoxo-)
Pt(111, surf.)–O2 45.5 (b1 state) 190 TPD 1988WIN/GUO

49.6 (b2 state) 208
Pt(111, surf.)–O2 (1) 50.9 213 (1) Mol. beam (1) 1981CAM/ERT
(2) 51 213 (2) TPD (2) 1989PAR/BAR
(3) 81.0G7.6 339G32 (3) Calorimetry (3) 1996WAR/STU
updated
(5) 48.0 201 (5) TPD (5) 1998LEE/FOR
Pt(211, surf.)–O2 7.7 (phys. a1 32.2 TDS 1988SID/WIN

state)
9.8 (a2 state) 41.0
13.1 (a3 state) 54.8
Pt(331, surf.)–O2 45.4–49.8 190–208 TPD 1998LEE/FOR
Pt(511, 1!1, surf.)–O2 49.2 206 TPD 1998LEE/FOR
Pt–CO 76.5G12 320G50 CID 1997GRU/ERV
Pt(nanoparticles)–CO 6.0G0.4 (phys) 25.1G1.7 NMR 2005KOB/BAB
Pt(foil, surf.)–CO 43.7–52.6 183–220 TDS 2000OST/BEH
Pt(polycs. surf.)–CO 14–15 (phys) 59–63 FEM 1967LEW/GOM
(continued)
BDEs (boldfaceZ
recommended data;
Pt(polycs. surf.)–CO (1) 43 180 (1) Calorimetry (1) 1965BRE/HAY

(2) 32 134 (2) FEM (2) 1967LEW/GOM
(3) R44 R184 (3) IR (3) 1967KAV/SOK
(4) 48.0 201 (4) Calorimetry (4) 1996CER
Pt(100, hex, surf.)–CO 25.1 105 Mol. beam 1993HOP/GUO
Pt(100, 1!1, surf.)–CO (1) 37.5 156.9 (1) TPD (1) 1983THI/BEH
(2) 37.5 156.9 (2) Kinetics (2) 1991FIN/DAT(b)
(3) 36.8 154 (3) TDS (3) 1993HOP/KIN
(4) 51.4 215 (4) Calorimetry (4) 1996YEO/YAT
updated
Pt(100, hex, surf.)–CO (1) 42.8G0.7 179G3 (1) Calorimetry (1) 1996YEO/VAT
updated
Pt(110, surf.)–CO (1) 2.5 (phys) 10.5 (1) LEED (1) 1982UNE/JAC
(2) 9 38 (2) PEEM (2) 1994OER/ROT
Pt(110, surf.)–CO (1) 34 142 (1) FDMS (1) 1974CON/ERT(b)

(2) 35.3 148 (2) MBRS (2) 1980FAI/MAD
(3) 38.2G3.6 160G15 (3) LITD (3) 1982UNE/JAC
(4) 43.7 183 (4) Calorimetry (4) 1997YEO/VAT(b)
updated
Pt(110, 1!1, surf.)–CO 8.9–10.0 (phys) 37–42 PEEM 1994OER/ROT
Pt(110, 1!1, surf.)–CO 29.3 123 TPD 1998LEE/FOR

Pt(110, 2!1, surf.)–CO 11.1–13.1 (phys) 46–55 PEEM 1994OER/ROT
Pt(110, 2!1, surf.)–CO 28.7 120 TPD 1998LEE/FOR
Pt(111, surf.)–CO (1) 4.0G0.7 16.7G2.9 (1) IRAS (1) 1990ROB/DOR

(phys)
(2) 6.0G0.3 25.1G1.3 (2) Scattering (2) 1993CRO/FEL
(3) 3.6G0.7 15.1G2.9 (3) IRAS (3) 1994NEK/HAR
(4) 3.0 12.5 (4) HAS (4) 1998GRA/TOE
(5) 3.0–4.7 (flat) 13–20 (5) LOD (5) 1998MA/XIA
(5) 7.3–7.9 (step) 31–33
Pt(111, surf.)–CO (1) 31.8 133 (1) HAS (1) 1984POE/PAL

(2) 32G2 133.9G8.4 (2) LITD (2) 1987SEE/KON
(3) 32G2 133.9G8.4 (3) TPD (3) 1990KIS/SZA
(4) 34.6 144.7 (4) HAS (4) 1998GRA/TOE
(5) 46G3 192.5G12.6 (5) TDS (5) 2002HAN/LEE
Pt(111, surf.)S–CO 22G2 92.0G8.4 TPD 1990KIS/SZA
Pt(111, surf.)Se–CO 23G2 96.2G8.4 TPD 1990KIS/SZA
Pt(211, surf.)–CO (1) 34.1 142.7 (1) TPD (1) 1998LEE/FOR

(2) 40.6 170 (2) Calorimetry (2) 2003KAR/FIO(b)
Pt(331, surf.)–CO 31.1 130.0 TPD 1998LEE/FOR
Pt(410, surf.)–CO 32 134 TPD 1985PAR/BAN
Pt(511, 1!1, surf.)–CO 32.4 135.6 TPD 1998LEE/FOR
Pt(111, surf.)/La–CO 20.8G2.3 86.8G9.6 TPD 1999RAM/RAA
Pt(100, surf.)NO–CO 12 50 TDS 1991FIN/DAT
(continued)
BDEs (boldfaceZ
recommended data;
Pt(111, surf.)Cu–CO 15.8–17.0 66–71 TDS 1983SHE/STE
Pt(331, surf.)–OH 60 251 Est. by exp. 1985STU/THI
Pt(211, surf.)–C w52.6 w220 TPD 1999KOS/BRO

(in C2H2)
Pt(111, surf.)–OHad 32.5 136 Electrochemical 1999MAR/SCH

(adsorpted)
[Ph2PCH2]2MePt–OH 40.0 167.4 Review 1992DRA/WON

–SH 21.5 90.0
–CN 54.2 226.8
Pt(100, surf.)–N2 9 (phys) 38 Correlation 1981NIE
Pt(100, surf.)–N2 20.2 84.5 Est. by exp. 1991FIN/DAT
Pt(111, surf.)–N2 w9.6 (phys) w40 IRAS 1977SHI/KIN
Pt(111, surf.)–N2 19 (phys) 80 TDS 1976WIL/DAW
Pt(111, surf.)–N2 62 259 TDS 1976WIL/DAW
Pt(211, surf.)–N2 9 (phys) 38 Correlation 1981NIE
Pt(filement, surf.)–N2 w22 w92 TDS 1976WIL/DAW

Pt(100, hex, surf.)–NO (1) 26.0 109 (1) TDS (1) 1991FIN/DAT
(2) 25.1 105 (2) TDS (2) 1993HOP/KIN
(3) 42.3G1.4 177G6 (3) Calorimetry (3) 1996YEO/VAT
updated
Pt(100, 1!1, surf.)–NO (1) 36 151 (1) Kinetics (1) 1981GOR/SCH

(2) 37.0 155 (2) Kinetics (2) 1991FIN/DAT(b)
(3) 36.8 154 (3) TDS (3) 1993HOP/KIN
(4) 47.8G2.4 200G10 (4) Calorimetry (4) 1996YEO/VAT
updated
Pt(110, 2!1, surf.)–NO (1) 33.5 140 (1) Kinetics (1) 1981GOR/SCH
(2) 38.2 160 (2) Calorimetry (2) 1996WAR/STU
updated
Pt(111, surf.)–NO (1) 5 (phys) 21 (1) Mol. Beam (1) 1983SER/TUL

(2) 11.8 49.4 (2) HAS (2) 1994CRO/FEL
Pt(111, surf.)–NO (1) 28.6 120 (1) TPD (1) 1981LIN/SOM

(2) 25 105 (2) TPS (2) 1981GOR/SCH
(3) 33.0 138 (3) LITD (3) 1983DOY/ERT
(4) 26G2 108.8G8.4 (4) LITD (4) 1986SEE/KON
(5) 29.8G1 124.7G4.2 (5) HAS (5) 1994CRO/FEL
Pt(210, surf.)–NO 35.0 146 TDS 1986LAN/MAS
Pt(411, surf.)–NO 28.6 120 TPD 1989GOH/MAS
Pt(557, surf.)–NO 32.3 135 TPD 1981LIN/SOM
Pt(111, surf.)–CO2 2.5 10.5 TDS 1983MAT
Pt(111, surf.)–H2O (1) 12 50 (1) TDS (1) 1980FIS/GLA

(2) 10.1 42.3 (2) TPD (2) 1984SEX/HUG
(3) 9.6 40.2 (3) STM (3) 1996MOR/MIC
(continued)
BDEs (boldfaceZ
recommended data;
Pt(111, surf.)–HCN 30.6 128 TPD 2005HER/TRE
Pt(111, surf.)–NH3 12.0 50.2 TDS 1981GLA/KOL
Pt(111, surf.)–NH3 (1) 32.3G3.0 135.1G12.5 CID (1) 1994SZU/LEV

(2) 25.4G2.3 106.1G9.6 (2) 1995SZU
Pt(h5-C5H5)(CH3)2–CH3 39G5 163G21 Kinetics 1970EGG
cis-Pt(PEt3)2(X)–CH3
xZCl 60G7 251G30 Kinetics 1990SIM/BEA
I 72G8 300G34
cis-Pt(PEt3)2(CH3)–CH3 64.3G3 269G13 Review 1994NOL
[Ph2PCH2]2MePt–CH3 26.0 108.8 Review 1992DRA/WON

[Ph2PCH2]2MePt 24.7 103.3
–OCH3
Pt(polycr. surf.)–CH4 36.1 151 Calorimetry 1984PAL/LIS
Pt(111, surf.)–CH4 (1) 3.6G0.15 15.1G0.6 (1) LITD (1) 1993MEI/GEO(b)

(phys)
(2) 3.8 16.1 (2) TDS (2) 2003WEA/CAR
Pt(111, surf.)–CH4 12.5G0.8 52.5G3.5 Mol. beam 2006DEW/VAL
Pt(111, surf.)–CH3I 11.5G0.7 48G3 TPD 1995FRE/HAR

(Sn)Pt(111, surf.)–CH3I 13.4 56.1 HR–EELS 2004PAN/SAM
Pt(PMe2Ph)(Cl)(Me)2 72.7G1 304G4 Review 1990SIM/BEA

–C(O)Me
Pt(111, surf.)–CH2O 11 46 Review 1988SHU
Pt(110, surf.)–CH3OH 11.4 47.5 TPD 1984SEX/HUG
Pt(110, 1!1, surf.) 7.4 31 TPD 1998LEE/FOR

–CH3OH
Pt(110, 2!1, surf.) 12.5 52.3 TPD 1992FRA/HER

–CH3OH
Pt(331, surf.)–CH3OH 14.0 58.5 TPD 1998LEE/FOR
Pt(511, 1!1, surf.) 12.5 52.3 TPD 1998LEE/FOR

–CH3OH
Pt(111, surf.)–CCH3 55.3G4.6 231.6G19.3 TPD/SIMS 1992ZHO/LIU
Pt(polycr. surf.)–C2H2 45 188 Calorimetry 1984PAL/LIS
Pt(211, surf.)–C2H2 64.5G2.4 270G10 Calorimetry 1999KOS/BRO(b)
Pt(polycr. surf.)–C2H4 35.4 148 Calorimetry 1984PAL/LIS
Pt(100, hex, surf.) 19.4 81.2 TDS 1998LEE/FOR

–C2H4
Pt(100, 1!1, surf.) 15.8 66.1
–C2H4
(continued)
BDEs (boldfaceZ
recommended data;
Pt(100, hex, surf.)–C2H4 51 213 Calorimetry 1998YEO/STU

Pt(100, 1!1, surf.) 73 305
–C2H4
Pt(110, surf.)–C2H4 (1) 53.3 223 (1) Calorimetry (1) 1995STU/WAR

(2) 56.2 235 (2) Updated (2) 1998BRO/KOS
Pt(110, 2x1, surf.)–C2H4 49.0 205 Calorimetry 1995STU/WAR
Pt(111, 1!1, surf.)–C2H4 11.6 48.5 TPD 1998LEE/FOR

Pt(111, 2!1, surf.)–C2H4 16.4 68.6
Pt(111, surf.)–C2H4 (1) 35.5G3.9 148.5G16.3 (1) Calorimetry (1) 1987KYS/MAS

(2) 58.6 245 (2) Calorimetry (2) 1996YEO/STU
(3) 46.6 195 (3) Updated (3) 1998BRO/KOS
Pt(210, surf.)–C2H4 15.2 63.6 TPD 1998LEE/FOR
Pt(211, surf.)–C2H4 43.0 180 Calorimetry 1999BRO/KOS(b)

Pt(311, 1!2, surf.) 52.6 220
–C2H4
Pt(331, surf.)–C2H4 16.4 68.6 TPD 1998LEE/FOR
Pt(511, 1!1, surf.) 17.7 73.9 TPD 1998LEE/FOR

–C2H4
Pt(PPh3)2–C2H4 36.3G4.3 152G18 Review 1990SIM/BEA

[Ph2PCH2]2MePt 21.0 87.9 Review 1992DRA/WON

–CH2CH3
trans-Pt(PEt3)2(Cl) 49.2 206 Review 1990SIM/BEA

–CH2CH3
Pt(111, surf.)–CH3 15.4 64.4 TPD 2001ZAE

–C2H5 11.5 (a-C–H) 48.1
10.5 (b-C–H) 43.9
–C3H7 12.9 54.0
–neo 15.0 (a-C–H) 62.8
-C5H11 15.0 (g-C–H) 62.8
Pt(111, surf.)–CnH2nC2 w29.9 w125 Mol. beam 2000WEA/KRZ
Pt(111, surf.)–C2H6 (1) 8.8 36.8 (1) TDS (1) 2003WEA/CAR

(2) 6.3G0.7 26.5G3 (2) Mol. beam (2) 2006DEW/VAL(b)
Pt(111, surf.)/Ni–C2H6 8.7 36.6 TDS 1990ROD/GOO
Pt(polycr.)–C2H6 52.1 218 Calorimetry 1984PAL/LIS
Pt(111, surf)-cis w9 w38 TDS 1988GRA/PIM

-CHClCHC
–trans w9 w38
-CHClCHC
Pt(110, surf.)–C2H5OH 12.0 50.2 TPD 1984SEX/HUG

–CH2C(O)CH3
Pt(polycr.)-c-C3H6 (1) w47 w197 Calorimetry (1) 1977CER/SMU

(2) w52 w217 (2) 1984PAL/LIS
(continued)
BDEs (boldfaceZ
recommended data;
Pt(111, surf.)–C3H8 9.8 41.2 TDS 2003WEA/CAR
Pt(polycr.)
–C3H6 42.1 176 Calorimetry 1984PAL/LIS
–C3H8 59.3 248
–C(CH3)2 46.8 196
–HCCCH3 44.5 186
Pt(110, surf.)–C3H7OH 13.8 57.8 TPD 1984SEX/HUG

–C4H9OH 14.7 61.7
Pt(110, surf.)
–CH3COCH3 11.0 46.2 TPD 1984SEX/HUG
–CH3CCN 12.4–14.3 52–60
–CH3SOCH3 23.5 98.4
Pt(111, surf.) 11.5 48.1 HR-EELS 1983AVE/WEI

–CH3COCH3
Pt(AsMe3)2(Cl)(Me)
–C2F4 12.4G0.2 52G1 Review 1990SIM/BEA
–C4F6 16.5G0.5 69G2
Pt(AsMe3)2(Br)(Me)
–C2F4 11.5G0.2 48G1 Review 1990SIM/BEA
–C4F6 14.6G0.5 61G2
Pt(AsMe2Ph)2(X)(Me)
–C4F6
xZCl 17.4G0.2 73G1 Review 1990SIM/BEA
Br 19.1G0.2 80G1
Pt(111, surf.)-n-C4H10 (1) 8.2G1.2 34.3G5.0 TDS (1) 1981SAL/SOM

(2) 14.4 60.2 (2) 2003WEA/CAR
Pt(110, surf.) 12.6 52.6 TPD 1984SEX/HUG

–C2H5OC2H5
Pt(111, surf.)-n-C5H12 10.2G1 42.6G4.2 TDS 1981SAL/SOM

–CH2Si(Me)3
Pt(PPh3)2–C2(CN)4 (1) 54.3G8.8 227G37 Review (1) 1990SIM/BEA

(2) 66.2G8.8 277G37 (2) 1994NOL
Pt(111, surf.)
-n-C6H14 14.8 61.9 TPD 2000BIS/GIR
–n-C7H16 15.9 66.4
–n-C8H18 17.2 72.0
–n-C9H20 17.7 74.2
–n-C10H22 18.5 77.2
Pt(111, surf.)–C6H6 (1) 28 117 TPD (1) 1994XU/TSA

(2) 47.1 197 (2) 2004IHM/AJO
[Ph2PCH2]2MePt
–Ph 31.0 129.7 Review 1992DRA/WON
–CCPh 54.3 227.2
Pt(PPh3)2(Cl)–C(O)Ph O55.5 O232 Calorimetry 1990SIM/BEA
Pt(PPh3)2–CH2CHPh 40.4G8.8 169G37 Review 1990SIM/BEA
Pt(PPh3)2-cis-C2Ph2 43.2G4 181G17 Review 1990SIM/BEA
(continued)
BDEs (boldfaceZ
recommended data;
Pt(PPh3)2
-cis-C2H2Ph2 46.4G8.8 194G37 Review 1990SIM/BEA
–trans-C2H2Ph2 50.2G8.8 210G37
Pt(PPh3)2-(pcbd) 42.3G6.5 177G27 Review 1990SIM/BEA

pcbdZplatinum-
benzocyclo-pentene-
1,2-dione
metallacycle
Pt(Cl)2-(cod) 95.1G5.7 398G24 Review 1990SIM/BEA

codZ1,
5-cyclo-octadiene
Pt-N bond(Cl)3Pt- %51.9 %217 Calorimetry 1980MOR/MIL

(9-methyladeninium)
(XMe2)(bpy-tbu2)
Pt-MMe3 xZCl, Br,
I bpy-tbu2Z4,
4 0 -di-tert-butyl-2,
2 0 -bipyridyl
MZSi 55.7 233 NMR 1997LEV/PUD
Ge 43.5 182
Sn 41.1 172
Pt-L bonds
Cl L CH3Cl
Pt
N N
Cl Cl
CH3 CH3
LZtrifluoroethanol 27.4G1.4 114.6G5.9 EIMS 2005HAM/GER
H2O 29.1G0.9 121.8G3.8
CH3CN 35.1G1.2 146.9G5.0
20.3.2 PtC–X bonds

Table 20.3.2 BDEs of PtD–X Bonds
BDEs (boldfaceZ
recommended data;
PtC–Pt 76.1G5.5 318G23 Spectrometry 1988TAY/LEM
PtC–Ar 8.7G2.1 36.4G8.7 Ion reactions 2003ZHA/ARM
PtC–Xe 20.7G6.9 86.6G28.9 Ion reactions 2003ZHA/ARM
PtC–H 65.7G1.2 275G5 Ion reactions 2002ZHA/ARM
PtC(Cl)x–Cl
xZ0 59.7G3.5 249.8G14.5 CID 2003LIY/STY(b)
1 61.6G4.4 257.6G18.3
PtC–H2 35.1G2.8 146.7G11.6 Ion reactions 2001ZHA/LIY

PtC(CH2)–H2 38.7G2.1 162.1G8.7
PtC–C (1) 126.1G1.2 527.6G4.8 Ion reactions (1) 2001ZHA/LIY

(2) 126.8G1.2 530.5G4.8 (2) 2003ZHA/ARM(b)
PtC–CH (1) 128.2G2.3 536.4G9.6 Ion reactions (1) 2001ZHA/LIY

–CH2 (1) 110.7G0.7 463.1G2.9
(2) O111 O464 (2) 1991IRI/BEA
(3) 115G4 481G17 (3) 1994WES/SCH
(4) 112.5 471 (4) 1997PAV/BLO
–CH3 (1) 61.6G1.8 257.6G7.7
–CH4 (1) 40.8G1.8 170.8G7.7
PtC–C2H4 (1) 55 230.1 (1) Review (1) 1998SCH/SCH

(2) 54.9 229.7 (2) PD (2) 2004STR/CIT
(continued)
Table 20.3.2 (continued) BDEs of PtC–X Bonds
BDEs (boldfaceZ
recommended data;
PtC–Si 123G12 515G50 Derived 1974GUR/KAR
PtC–B 95G25 398G105 Derived 1974GUR/KAR
PtC(O)x–O
xZ0 (1) 77 322 (1) FT ICR (1) 1997PAV/BLO
(2) %73.9 %309 (2) Spectra. (2) 2003THO/STR
(3) 76.1G1.6 318.4G6.7 (3) Ion reactions (3) 2003ZHA/ARM
1 (3) 70.6G1.6 295.2G6.7
(4) 75 314 (4) Derived (4) 2000SCH/SCH
PtC(CO)–O 74.0G2.8 309.7G11.6 Ion reactions 2003ZHA/ARM
PtC–O2 15.4G1.2 64.6G4.8 Ion reactions 2003ZHA/ARM
PtC(CO)x–CO
xZ0 (1) 50.7G2.3 212.3G9.6 CID (1) 2001ZHA/ARM
(2) 52.1G2.1 218.1G8.7 (2) 2003ZHA/ARM(b)
1 (1) 46.1G2.3 193.0G9.6
2 (1) 23.5G1.2 98.4G4.8
3 (1) 12.7G1.2 53.1G4.8
PtC(O)–CO 51.0G2.3 213.2G9.6 Ion reactions 2003ZHA/ARM
PtC–CO2 14.3G1.2 59.8G4.8 Ion reactions 2003ZHA/ARM(b)
PtC–N 78.1G2.3 326.9G9.6 GIB MS 2004ZHA/ARM

–N2 6.2G2.3 26.1G9.6
–NO 72.2G2.3 302.0G9.6
PtC(NH3)x–NH3
xZ0 65.5G2.8 274G12 CID 2003LIY/STY
1 62.4G2.3 261G10
2 18.4G1.2 77G5
3 11.0G0.9 46G4
20.3.3 PtK–X bonds

Table 20.3.3 BDEs of PtL–X Bonds
BDEs (boldfaceZ
recommended data;
PtK(Pt)x–Pt
xZ0 (1) 68.0G0.7 284.5G2.9 (1) PES (1) 1993HO/POL
(2) 73.3 306.7 (2) Re-cal. (2) 1997GRU/ERV
1 (2) 101.5G9.2 425G39
(3) 101.6 425 (3) Review (3) 2001ARM
2 (2) 118.1 494
(3) 99.2 415
3 (2) 116.5 487
(3) 113 473
PtK
2 –CO 13.8 57.9 PES 2002LUT/PON
PtK
3 ðCOÞx –CO
xZ0 (1) 51.4G7.2 215G30 (1) CID (1) 1995GRU/ERV
(2) 52.6G7.2 220G30 (2) CID (2) 1997GRU/ERV
1 (1) 48.5G12 203G50
(2) 52.6G12 220G50
(3) 64.5G3.1 270G13 (3) PD (3) 2001SHI/SPA
2 (1) 45.2G4.1 189G17
(2) 52.6G5.3 220G22
(3) 49.2G3.3 206G14
3 (1) 19.6G2.4 82G10
(2) 24.4G3.3 102G14
4 (1) 21.5G3.3 90G14
(2) 26.1G4.5 109G19
5 (1) 33.5G4.5 140G19
(2) 43.0G7.2 180G30
(3) 39.7G3.3 166G14
6 (2) 41.5G3.3 174G14
(continued)
Table 20.3.3 (continued) BDEs of PtK–X Bonds
BDEs (boldfaceZ
recommended data;
PtK
3 ðCOÞx –2CO
xZ2 71.5G6.9 299G29 CID 1997GRU/ERV
3 52.8G4.6 221G19
4 68.5G5.6 287G24
PtK
3 ðPtÞx –CO
xZ3 60.0G9.2 251G39 CID 1997GRU/ERV
4 57.7G9.2 241G39
5 53.0G6.9 222G29
PtK
4 ðCOÞ7 –CO 18.4G6.9 77G29 CID 1997GRU/ERV
PtK
5 ðCOÞ8 –CO 18.4G6.9 77G29
PtK
2 ðCOÞ–Pt %69.2G9.2 %289G39 CID 1997GRU/ERV
PtK
2 –PtCO %78.2G4.8 %327G20
PtK(PtCO)–PtCO %65.5G5.8 %274G24
PtK(Pt)2(CO)6–Pt(CO)2 %32.3G9.2 %135G39 CID 1997GRU/ERV
PtK
K–C2 H 53 222 PES 2000MOR/JAR
chapter twenty-one
BDEs of Cu(Cu G )–, Ag(Ag G )–, and

Au(AuG)–X bonds
21.1 Cu–, CuC–, and CuK–X bonds

21.1.1 Cu–X bonds
Table 21.1.1 BDEs of Cu–X Bonds
BDEs (boldfaceZ
recommended data;
fregment) kcal/mol kJ/mol parentheses) References
Cu–Cu (1) 46.8 195.7 (1) Review (1) 1996SMI/YAT

(2) 47.9G3.9 200.4G16.4 (2) Derived (2) 2000SPA/LEE
(3) 41.7G3.2 174.6G13.5 (3) CID (3) 2000ING/BUS
(4) 46.6G1.2 195.0G5.2 (4) MS (4) 2001HIL
(5) 48.0 201 (5) Review (5) 2001ARM
Cu(Cu)x–Cu
xZ1 (1) 25.8 108 (1) Review (1) 1986MOR
(2) 26.5G4.6 111G19.3 (2) CID (2) 2000ING/BUS
(3) 17.5G5.3 73G22 (3) MS (3) 2001HIL
(4) 26.5 111 (4) Review (4) 2001ARM
(5) 22.1 92.6 (5) Derived (5) 2004JAQ/LAB
2 (2) 62.7G4.6 262.4G19.3
(3) 46.8G17.5 196G73
(4) 62.6 262
(5) 54.9 230
3 (2) 42.7G3.9 178.5G16.4
(3) 36.6G18.0 153G75
(4) 42.5 178
(5) 39.7 166
4 (2) 59.0G7.4 247G31
(3) 41.5G17.8 174G74
(4) 59.0 247
(5) 50.3 210
(continued)
967
Table 21.1.1 (continued) BDEs of Cu–X Bonds
BDEs (boldfaceZ
recommended data;
5 (2) 61.4G10 257G42

(3) 24.2G18.2 101G76
(4) 61.4 257
(5) 42.9 180
6 (2) 68.8G8.1 288G34
(3) 23.1G11.1 97G46
(4) 68.8 288
(5) 59.3 248
7 (3) 23.5G11.5 98G48
(5) 23.5 98.4
Cu(100, surf.)–Cu (1) 9.2 (phys) 38.6 (1) Scattering (1) 1987MIG/SAN
(2) 9.0G1.4 37.6G5.8 (2) LEIS (2) 1992BRE/BOE
(3) 6.5G1.4 27.0G5.8 (3) Scattering (3) 1992ERN/FAB
(4) 8.8 36.7 (4) LEIS (4) 1994BRE/BAK
(5) 8.3G0.7 34.7G2.9 (5) LEED (5) 1994DUR/WEN
Cu(100, surf.)–Cu 18.4G0.7 (phys) 77.2G2.9 STM 1998KLU/HAN
Cu(100, surf.)–Cu 69 289 Review 1995SEE/ALL
Cu(111, surf.)–Cu (1) 10.4G0.5 (phys) 43.4G1.9 STM (1) 1998KON/IBA

(2) 5.1G0.5 21.2G1.9 (2) 1999SCH/VER
(3) 5.2G0.2 21.6G0.9 (3) 1999GIE/IBA
Cu(111, surf.)–Cu 17.5G0.9 (phys) 73.3G3.9 STM 1999GIE/KON
Cu–Cu bond 47.8 200 Electrochemical 2004COY/DOW

in dicopper
(II) cryptates
Cu–Ag (1) 41.6 174.1 (1) MS (1) 1960ACK/STA

(2) 41G2 172G8 (2) Review (2) 1970DAR
(3) 41.0G2.3 171.5G9.6 (3) Spectroscopy (3) 1991BIS/MAR
Cu(100, surf.)–Ag 17.5G3.7 (phys) 73.3G15.4 Oxidation 1973ROU

BDEs of Cu(CuG)–, Ag(AgG)–, and Au(AuG)–X Bonds 969
Cu(100, surf.)–Ag 65 272 Review 1995SEE/ALL
Cu(111, surf.)–Ag 17.5G3.7 (phys) 73.3G15.4 Oxidation 1973ROU
Cu–Au (1) 55.4 231.8 (1) MS (1) 1960ACK/STA

(2) 54.9G2.3 229.7G9.6 (2) Review (2) 1986MOR
(3) 54.3G0.3 227.1G1.2 (3) Spectrometry (3) 1993BEH/ARR(b)
Cu–Li (1) 46.1G2.1 192.9G8.8 (1) MS (1) 1974NEU/ZMB(b)

(2) 45.9 191.9 (2) R2PI (2) 1997BRO/KNI
Cu–Na 42.1G4 176.1G16.7 MS 1973PIA/GIN
Cu(100, surf.)–Na (1) 1.18G0.14 4.92G0.58 HAS (1) 1993ELL/TOE

(phys)
(2) 1.21G0.20 5.07G0.09 (2) 1997GRA/HOF
(3) 1.23G0.02 5.13G0.09 (3) 2001ELL/GRA
Cu(100, surf.)–Na 21 88 Review 1995SEE/ALL
Cu(100, surf.)–K 23G2.3 96G9.6 HAS 1994REI/GRA
Cu–Tb 45.7G4.3 191G18 MS 1989CHA/GIN

–Dy 34.4G4.3 144G18
–Ho 34.4G4.5 144G19
Cu(cryst.)–Ti 46.4G0.8 193.9G3.4 Ion-beam 1998ALM/MAC
Cu–Cr (1) 36.9G6 154.4G25.1 (1) MS (1) 1970KAN/STR

(2) 37.8G3.5 158.2G14.5 (2) Review (2) 1986MOR
Cu(cryst.)–Cr 46.4G0.8 193.9G3.4 Ion-beam 1998ALM/MAC

–Mn 45.9G0.5 192.0G1.9
–Fe 47.0G0.5 196.8G1.9
(continued)
BDEs (boldfaceZ
recommended data;
Cu–Co (1) 38.0G5 159.0G20.9 (1) MS (1) 1970KAN/STR

(2) 38.5G3.9 161.1G16.4 (2) Review (2) 1986MOR
Cu–Ni (1) 47.4G5 198.3G20.9 (1) MS (1) 1970KAN/STR

(2) 48.9G5.8 204.6G24.3 (2) Review (2) 1986MOR
(3) 48.2G2.3 201.7G9.6 (3) Spectrometry (3) 1989FU/MOR
Cu(cryst.)–Ni 53.5G0.6 223.8G2.4 Ion-beam 1996ALM/MAC
Cu(100, surf.)–Hg w12 w48 HAS 1992LI/LIN
Cu(crystal)–B 26.5G2.3 111.0G9.6 NMR 2001FUL/ITT
Cu–Al 54.3G0.3 227.1G1.2 Spectroscopy 1993BRH/ARR(b)
Cu–Ga 51.6G3.6 215.9G15 MS 1972CAR/BER
Cu–In 44.8G1.9 187.4G7.9 MS 1989BAL/NUN
Cu(100, surf.)–He 0.22 0.94 HAS 1980LAP/LEJ
Cu(110, surf.)–He (1) 0.14 0.60 HAS (1) 1982HAR/LIE

(2) 0.15 0.61 (2) 1984GOR/SAL
Cu(311, surf.)–He 0.15 0.61 HAS 1982PER/LAP
Cu(110, surf.)–Ne 0.29 1.20 Review 1991VID/IHM

Cu(100, surf.)–Ar 2.9 12.0 Scattering 1980LAP/LEJ
Cu(110, surf.)–Kr (1) 3.0G0.1 12.6G0.4 LEED (1) 1982GLA/JAU

(2) 2.6 11.0 (2) 2000SHY/CAR
Cu(111, surf.)–Kr 2.7 11.5 Review 1991VID/IHM
Cu(100, surf.)–Xe 4.5 18.9 AES 1979GLA/BAR
Cu(110, surf.)–Xe (1) 4.6G0.1 19.2G0.4 (1) AES (1) 1982GLA/JAU

(2) 5.2 21.8 (2) Scattering (2) 1994RAM/GIR
(3) 5.0 21.0 (3) TDS (3) 1998POU/RAM
Cu(110, 2x1/O, surf.)–Xe 5.4 22.5 TDS 1998POU/RAM
Cu–H (1) 58.3G2 243.9G8.4 (1) MS (1) 1979KAN/MOO

(2) 65.5 274.0 (2) Spectroscopy (2) 1981RAO/RAO
(3) 61.6G4.2 257.6G17 (3) GIB MS (3) 1990FIS/ARM
(4) 60.9G1.4 254.8G6 (4) GIB MS (4) 1996ARM/KIC
Cu–D 64.6 270.3 Spectroscopy 1979HUB/HER
Cu(polycr. surf.)–H 57.0 238.5 Isotherm 1972ALE/PRI
Cu(100, surf.)–H (1) w56 w234 (1) Review (1) 1979ERT

(2) !60 !251 (2) TPD (2) 1989ANG/WIN
Cu(110, surf.)–H !58 !243 TPD 1989ANG/WIN
Cu(111, surf.)–H (1) 56 234 (1) Review (1) 1979ERT

(2) !60 !251 (2) TPD (2) 1989ANG/WIN
(continued)
BDEs (boldfaceZ
recommended data;
Cu(311, surf.)–H 56.4 236 Review 1988CHR
Cu(F)x–F
xZ0 (1) 98.8G3 413.3G12.6 (1) MS (1) 1977EHL/WAN
(2) 102.8 430.1 (2) Review (2) 1979HUB/HER
(3) 96.8G0.7 405.2G2.9 (3) CL (3) 1992BAL/HAR
(4) 99.0 414.0 (4) CL (4) 2003SAD/KOW
(5) 102.9G1 430.6G4.2 (5) Derived (5) 2005HIL
1 (6) 87.6 366.5 (6) MS (6) 1966KEN/MCD
Cu–Cl (1) 90.6G1.1 379.1G4.6 (1) MS (1) 1972GUI/GIG

(2) 91.5 382.8 (2) Review (2) 1979HUB/HER
(3) 90.3G1.8 377.8G7.5 (3) MS (3) 1996HIL/LAU
(4) 90.3 377.8 (4) MS (4) 2005HIL
Cu–Br (1) 79G6 331G25 (1) Review (1) 1968GAY

(2) 80 334.7 (2) Review (2) 1979HUB/HER
(3) 79.8 333.9 (3) MS (3) 2005HIL
Cu–I (1) 47G5 197G21 (1) Review (1) 1968GAY

(2) 69G15 289G63 (2) Review (2) 1974GUR/KAR
(3) !76.3 !319.2 (3) Review (3) 1979HUB/HER
(4) 70.0 292.9 (4) MS (4) 2005HIL
Cu–O (1) 65.2G3.5 272.8G14.6 (1) MS (1) 1972SMO/MAN

(2) 64.3G4.6 269G19.3 (2) Spectrometry (2) 1989MER
(3) 65.7G3.5 275G14.5 (3) HT MS (3) 1993WAT/THI
(4) 61.9G7.2 259G30 (4) HT MS (4) 1993WAT/THI
(5) 68.7G2.8 287.4G11.6 (5) GIB MS (5) 1999ROD/WAL
Cu(foil)–O 103 431 Review 1991BEN
Cu(100, surf.)–O 108.2 452.7 Review 2003ZEI
Cu(110, surf.)–O (1) 89 372 Review (1) 1991BEN

(2) 111.2 465.3 (2) 2003ZEI
Cu(111, surf.)–O 103.0 431.0 Review 2003ZEI
Cu–S 65.6G3.5 274.5G14.6 MS 1972SMO/MAN
Cu(100, surf.)–S 92 385 Review 1982BAR/AGR
Cu(111, surf.)–S 6 (phys) 25 HAS 1991HIN/FRE
Cu(111, surf.)–S (1) 97 406 Review (1) 1982BAR/AGR

(2) 46 192 (2) 1995SEE/ALL
Cu–Se 61.0G3.5 255.2G14.6 MS 1972SMO/MAN
Cu–Te (1) 55.1G3.5 230.5G14.6 MS (1) 1972SMO/MAN

(2) 66.6 278.7 (2) 1976ABB/AZI
Cu(100, surf.)–N 120.8 505.4 Review 2003ZEI
Cu(110, surf.)–N (1) 135 565 Review (1) 1991BEN

(2) 124.2 519.7 (2) 2003ZEI
Cu(111, surf.)–N 115.0 481.2 Review 2003ZEI
Cu–Si 52.9G1.5 221.3G6.3 MS 1981RIE/LAM
Cu–Ge (1) 48.8G5 204G21 MS (1) 1968KAN/STR

(2) 49.9G5 208.8G21 (2) 1972NEC/SOD
Cu–Sn (1) 41.4G4 173.2G16.7 MS (1) 1962ACK/DRO

(2) 40.6G2.4 170G10 (2) 1978KIN/DUF
Cu(100,surf.)–Pb (1) 15.7 (phys) 65.7 (1) Scattering (1) 1993COH/GIB

(2) 13.1 55.0 (2) STM (2) 2001COH/PRE
(continued)
BDEs (boldfaceZ
recommended data;
Cu(100,surf.)–Pb 70 293 Review 1995SEE/ALL
Cu(110, surf.)–Pb 13.1 (phys) 55.0 STM 2001COH/PRE
Cu–H2 O22G5 O92G21 Est. by exp. 1987TEW/FRE
Cu(polycs. surf.)–H2 (1) 11.2G0.6 47G2.5 (1) H2 conversion (1) 1956RIE/VOR

(2) 9.6–10.3 40–43 (2) H2 conversion (2) 1957ELE/ROS
(3) 9.6–12 40–50 (3) S.P. (3) 1972ALE/PRI
(4) 12.3G1.4 51.5G6 (4) Isotopic (4) 1974KIY/MOM
(5) 14.1G1 59G4 (5) Ox-Red (5) 1987GAB/KUR
Cu(100, surf.)–H2 (1) 0.5 (phys) 2.1 Scattering (1) 1983LAP/PER

(2) 0.59 2.46 (2) 1988AND/WIL
Cu(100, surf.)–H2 (1) 13.5 56.5 (1) Conversion (1) 1968VOL/JUN

(2) 11.4G0.2 48G1 (2) TPD (2) 1993RAS/HOL
Cu(110, surf.)–H2 0.51 (phys) 2.12 Scattering 1981GLA/JAU
Cu(110, surf.)–H2 14.3G1.4 59.8G5.9 Kinetics 1991CAM/DOM
Cu(111, surf.)–H2 0.74 (phys) 3.01 Review 1991VID/IHM
Cu(111, surf.)–H2 (1) 9.1 38.1 (1) Conversion (1) 1968VOL/JUN

(2) 9.2 38.6 (2) TDS (2) 1999KAM/KUP
Cu(100, surf.)–D2 (1) 0.62 (phys) (1) 2.6 Scattering (1) 1988AND/WIL
(2) 0.75 (2) 3.1 (2) 1997BER/ART
Cu(100, surf.)–D2 13.4 56 TPD 1993RAS/HOL

Cu(111, surf.)–D2 (1) 16 66.9 TDS (1) 1996LEE/POK

(2) 8.1 33.8 (2) 1999KAM/KUP
Cu(100, surf.)–Cl2 33.2 138.9 MS 1985WIN
Cu–O2 15G7 63G29 Kinetics 1992MIT
Cu(plate, surf.)–O2 5.2 (phys) 21.8 Calorimetry 1964HAY/TRA
Cu(polycr. surf.)–O2 (1) 109.7 459 (1) Calorimetry (1) 1969MUR/VAS

(2) 78 326 (2) Review (2) 1982RAO/KAM
Cu(110, surf.)–O2 53 222 TD 1967ERT
Cu2O(polycr. surf.)–O2 62 259 Review 1964HAY/TRA
Cu(111, surf.)–O2 4 (phys.) 17 Ellipsometry 1979HAB/KIE
Cu–OH O97 O406 FT–MS 1985WEI/WIL
Cu(111, surf.)–OH 71.5 299 Adsorption 1993HER/WIT
Cu–CO 6G1.2 25G5 LP 1991BLI/MIT
Cu(polycr. surf.)–CO (1) 9.3 39 (1) Isothermal (1) 1953TRA

(2) 18–20 75–84 (2) IR (2) 1967KAV/SOK
(3) 13.9G0.3 58.2G1.4 (3) TDS (3) 2001VOL/WIT
Cu(100, surf.)–CO (1) 2–3 (phys) 8–13 (1) LITD (1) 1982VIS/BUR
(2) 0.74 3.09 (2) HAS (2) 1996HOF/TOE
(3) 0.71G0.23 3.00G0.96 (3) HAS (2) 1998GRA/HOF
(continued)
BDEs (boldfaceZ
recommended data;
Cu(100, surf.)–CO (1) 13.5 56.5 (1) LEED (1) 1972TRA

(2) 16.7 69.9 (2) IRAS (2) 1992TRU/ROD
(3) 12.2G0.3 51.1G1.4 (3) TDS (3) 2001VOL/WIT
Cu(110, surf.)–CO 2.24G0.9 (phys) 9.36G0.39 STM 1997BRI/DOE
Cu(110, surf.)–CO (1) w13.1 w55 (1) TPD (1) 1977HOR/HUS

(2) 16.7 70 (2) IRAS (2) 1978MAD/BEN
(3) 14.6 61 (3) TPD (3) 1996AHN/MOC
(4) 12.9G0.3 54.0G1.4 (4) TDS (4) 2001VOL/WIT
Cu(111, surf.)–CO (1) 12 50 (1)IRAS (1) 1979HOL/PRI

(2) 9.6 40 (2) TDS (2) 1986KIR/KRU
(3) 13.2 55.2 (3) Mol. beam (3) 1990HIN/DUB
(4) 12.2 51.0 (4) TPD (4) 1994BON/KIS
(5) 11.3G0.3 47.3G1.4 (5) TDS (5) 2001VOL/WIT
Cu(211, surf.)–CO 14.0G0.3 58.4G1.4 TDS 2001VOL/WIT

Cu(221, surf.)–CO 13.8G0.3 57.7G1.4
Cu(311, surf.)–CO (1) 9.3G0.5 39G2 (1) IR (1) 1975PRI/CAT

(2)14.5G0.5 61G2 (2) LEED (2) 1975PAP/PRI
Cu(332, surf.)–CO 10.3 (phys. a1 state) 43 TDS 1995BON/KIS

12.2 (a2 state) 51
Cu(332, surf.)–CO 16.0 67 TDS 1995BON/KIS
Cu(532, surf.)–CO 13.6G0.3 56.8G1.4 TDS 2001VOL/WIT
CuCl(111, surf.)–CO 23 96 PES 1993SOL/JON
SiO2/Cu–CO w17 w71 IR 1993XU/GOO

Pt(111, surf.)Cu–CO 15.8–17.0 66–71 TDS 1983SHE/STE
Cu(surf.)Cu–CO 12.6–13.5 53–56 TDS 1983SHE/STE
Cu2O(polycs. surf.)–CO 20 84 Review 1964HAY/TRA
Ru(1000, surf.)Cu–CO 17.1 71.4 Mol. beam 1999KNE/GEM
[CuI(tmpa)(CO)]C 10.4 43.6 TR–IR 2005FRY/COH

tmpaZtris(2-pyridy-
methyl)amine
Cu(100, surf.)–CO2 22.2G1.2 93G5 TPD 1992TAY/RAS
Cu(110, surf.)–CO2 6.3G0.3 26.4G1.3 TR–EELS 1990ELL/WU
Cu(100, surf.)–H2O 10.1 42.4 TPD 1984SEX/HUG
Cu(110, surf.)–H2O (1) 10–12.5 42–52 (1) Review (1) 1987OUT/MAD(b)

(2) 13.2 55.2 (2) Spectroscopy (2) 1992HIN/DUB
Cu(111, surf.)–H2O 9.8 41.0 Kinetics 1987CAM/DAU
Cu2O(polycs. surf.)–SO2 37 155 Review 1964HAY/TRA
Cu–CH3 (1) O59 O247 (1) FT–MS (1) 1985WEI/WIL

(2) 58G2 242.7G8.4 (2) GIB MS (2) 1989GEO/FIS
(3) 53.3G1.2 223G5 (3) GIB MS (3) 1996ARM/KIC
Cu(110, surf.)–CH2 75G10 314G42 AES/TPRS 1992CHI/WEN

Cu(110, surf.)–CH3 33G8 138G33
(continued)
BDEs (boldfaceZ
recommended data;
Cu(111, surf.)–CH3 w29 w121 AES/TPR 1993LIN/BEN
Cu(100, surf.)–HC(O)O 28.1 117.7 Re-cal. 2006WAN/MOR

Cu(110, surf.)–HC(O)O 24.9 104.1
Cu(111, surf.)–HC(O)O 17.1 71.4 Re-cal. 2006WAN/MOR
Cu(100, surf.)–CH4 3.8 (phys) 15.9 HAS 1997GRA/BER
Cu(110, surf.)–CH3Cl 8–10 33–42 TPD 1991MAG/GEB
Cu(111, surf.)–CH3I w8.5 w35.5 AES/TPR 1993LIN/BEN(b)
Cu(100, surf.)–CH3OH 10.0 41.8 TPD 1984SEX/HUG
Cu(110, surf.)–CH3OH 16.7 (phys) 70 FDS 1978WAC/MAD
Cu(110, surf.)–CH3OH 30.9G0.2 129.3G0.8 FDS 1978WAC/MAD
Cu(polycs. surf.)–C2H2 19 79 Review 1964HAY/TRA
Cu(100, surf.)–C2H2 (1) 6G1.2 (phys) 25G5 (1) Photolysis (1) 1991BLI/MIT
(2) 12.2G0.2 51.1G1.0 (2) STM (2) 1999LAU/HO
Cu(110, surf.)–C2H2 22 92 TPD 1983OUT/FRI
Cu(polycs. surf.)–C2H4 18 75 Review 1964HAY/TRA

Cu(110, surf.)–C2H4 8.6 (phys) 36.2 HAS 1997GRA/BER
Cu(110, surf.)–C2H4 13 54 TPD 1983OUT/FRI
Cu2O(polycs. surf.)–C2H4 20 84 Review 1964HAY/TRA
Cu(100, surf.)–C2H6 6.0 (phys) 25.1 HAS 1997GRA/BER
Cu(111, surf.)–C2H2 1.2 (phys) 5.0 EELS 1984BAN/CHE
Cu(111, surf.)–C2H4 0.2 (phys) 0.6 Combined 1998FUH/WAC
Cu(100, surf.)–C2H3Cl 7–11 29–46 TPD 1997YAN/KAS

Cu(100, surf.)–ClHCHCl 7–11 29–46
Cu(111, surf.)–C2H5 13.2–15.1 55–63 TPD 2001ZAE
Cu(111, surf.)–C2H6 0.2 (phys) 0.6 Combined 1998FUH/WAC
Cu(111, surf.) 12.4G1 52G4 LEED 1992WAL/JON

–CH2ClCH2Cl
Cu(100, surf.)–C2H5OH 11.4 47.5 TPD 1984SEX/HUG
Cu(100, surf.) 10.1 42.4 TPD 1984SEX/HUG

–CH3COCH3
Cu(110, surf.) 9 38 TPD 2000LEE/AHN

–CH3COCH3
Cu(111, surf.)–c-ether 14.1 59 TPD 1994HOF/WEG

trixane
Cu(111, surf.)
–CH3CHCH2 5.9G0.9 24.7G3.8 TPD 1995MEY/GEL
(continued)
BDEs (boldfaceZ
recommended data;
–CFH2CHCH2 5.5G0.6 23.0G2.5

–CF3CHCH2 8.1G0.9 33.9G3.8
–CF3CHCF2 9.0G1.5 37.7G6.3
–CF3CFCF2 8.0G0.4 33.5G1.7
Cu(100, surf.) 10.1 42.4 TPD 1984SEX/HUG

–n-CH3CCN
Cu(100, surf.)
–n-C3H7OH 12.6 52.9 TPD 1984SEX/HUG
–n-C4H9OH 13.9 58.0
Cu(100, surf.)– 10.7 44.9 TPD 1984SEX/HUG

C2H5OC2H5
Cu(100, surf.)–n-C5H12 10.4 43.7 TPD 1984SEX/HUG

–n-C6H14 12.0 50.4
Cu(100, surf.)–n-C7H16 13.6 57.1 TPD 1984SEX/HUG

–n-C8H18 14.6 61.0
–n-C9H20 16.2 67.6
–n-C10H22 17.9 74.8
Cu(110, surf.)–nC7H16 w11.1 w46.3 HAS 1997GRA/BER

–nC8H18 w14.1 w58.9
–nC10H22 w15.9 w66.6
Cu(110, surf.)–c-C6H12 w10.1 w42.5 HAS 1997GRA/BER
Cu(C6H6)x–C6H6
xZ0 3.9G3 16.4G12.5 Derived TAK/TAK
1 6.5G4.6 27.0G19.3
Cu(110, surf.)–C6H6 w10.8 w45.3 HAS 1997GRA/BER

Cu(111, surf.)–C6H6 !14.3 !60 TPD/EELS 1994XI/YAN
Cu(111, surf.)–C6H5I 11.3G1.5 47.3G6.3 TPRS 1992XI/BEN
C–H bond broking 81 339 HR–EELS 1998CHE/FRE

Cu(110,8!2, surf.)
–C6H5COOH
Cu–methylacetylene 7.6G1.4 32G6 Kinetics 1993BLI/MIT(b)

–dimethylacetylene 8.6G1.4 36G6
Cu(L)x–L, LZTMEZ
tetramethylethylene
xZ0 10G1.4 42G6 Kinetics 1993BLI/MIT
1 18G2.4 75G10
Cu(Cu)x–NH3
xZ0 (1) %11 %46 (1) PD (1) 1996MIT/LIA
(2) 11.2G3.6 47G15 (2) Derived (2) 2003MIY/SUG
(3) 11G4 46G19 (3) Derived (3) 2005LI/SOH
1 (2) 20G1 83.7G4.2
(3) 11G2 46G8
Cu(100, surf.)–NH3 (1) 13.6 56.9 (1) TR EELS (1) 1991WU/KEV

(2) 17.8 74.3 (2) TPD (2) 1997MOC/AHN
Cu(surf.)–(CN)2 12.9 54 TPD/PES 1983OUT/JOR
Cu(110, surf.)–pyridine 22.4 93.6 TDS 2000LEE/AHN
Cu(110, surf.)–DC 17.1G0.7 71.4G2.9 Review 2003ROS/SCH

–HtBDC 13.1G0.5 55.0G1.9
DCZdecacyclene,
HtBDCZhexa-di-tert-
butyl-decacyclene
21.1.2 CuC–X bonds

Table 21.1.2 BDEs of CuD–X Bonds
BDEs (boldfaceZ
recommended data;
CuC–Cu (1) 43.3G1.8 181.2G7.7 (1) R2PI (1) 1989SAP/HAR

(2) 42.4 177.4 (2) Derived (2) 1996SMI/YAT
(3) 37.8G3.2 158.2G13.5 (3) CID (3) 2000ING/BUS
(4) 37.1G1.8 155.2G7.7 (4) CID (4) 2001KRU/SCH
CuC(Cu)x–Cu
xZ1 (1) 65.7G5.1 275G21 CID (1) 2000ING/BUS
2 (1) 15.7G2.8 65.6G11.6
(2) 24.4G1.2 102.3G4.8 (2) 2001KRU/SCH
3 (1) 56.3G4.6 235G19
4 (1) 21.9G3.5 91.7G14.5
(2) 47.5G2.5 198.8G10.6
5 (1) 48.4G5.8 203G24
(2) 71.7G3.7 300G15.4
6 (1) 25.6G5.8 107G24
(2) 66.0G3.5 276G14.5
7 (1) 38.3G6.5 160G27
(2) 84.4G4.2 353G17.4
8 (2) 47.0G7.1 196.8G29.9
10 (2) 67.6G4.8 282.7G20.2
11 (2) 78.9G5.3 330.0G22.2
12 (2) 76. 6G6.7 320.3G28.0
13 (2) 87.2G6.7 364.7G28.0
14 (2) 72.2G5.8 302.0G24.1
15 (2) 81.6G5.5 341.6G23.2
16 (2) 86.0G5.8 359.9G24.1
17 (2) 92.2G5.8 385.9G24.1
18 (2) 89.0G5.5 372.4G23.2
19 (2) 96.6G5.5 404.3G23.2
20 (2) 75.4G4.4 315.5G18.3
21 (2) 82.8G4.8 346.4G20.2
22 (2) 78.9G4.6 330.0G19.3
23 (2) 84.9G4.8 355.1G20.3
CuC(Cu)x–Cu2
xZ0 (1) 61.6G5.3 258G22 CID (1) 2000ING/BUS
(2) 65.3G3.2 273G13.5 (2) 2001KRU/SCH
1 (1) 83.7G12.7 350G53
2 (1) 24.7G4.2 103G17
(2) 45.9G2.3 192G9.6
3 (1) 76.8G17.3 321G72
4 (1) 35.5G6.0 149G25
5 (1) 77.9G14.3 326G60

6 (1) 63.9G8.8 267G37
8 (2) 63.9G6.5 267G27
12 (2) 61.1G9.5 256G40
13 (2) 64.8G5.1 271G21
14 (2) 81.4G6.5 341G27
15 (2) 73.8G4.6 309G19
16 (2) 89.4G5.3 374G22
17 (2) 79.8G5.8 334G24
18 (2) 85.1G6.2 356G26
19 (2) 67.3G8.3 282G35
20 (2) 71.9G5.1 301G21
21 (2) 74.3G5.3 311G22
CuC–Fe (1) 53G7 222G29 (1) PD 1987HET/FRE

CuC–Kr 5.8G0.2 24.3G0.8 HP MS 1989ELS/SCH
CuC–Ar (1) 13.1 54.9 (1) GDMS (1) 1995BAR/SMI

(2) 12.4G1.6 51.9G6.8 (2) CID (2) 2002KOS/SCH
CuC–Xe 24.4G1.4 102.1G5.8 CID 2002KOS/SCH
CuC–H 22.2G3 93G13 GIB MS 1986ELK/ARM
CuC–F (1) 64G8 268G34 (1) Derived (1) 1974GUR/KAR

IP in ref.
CuC–Cl 21.7G2.4 91G10 Derived from IP 1996NIST

in ref.
CuC(H2)x–H2
xZ0 (1) 15.4G1.0 64.4G4.2 Equilibrium (1) 1998KEM/WEI
(2) 12.4G0.1 51.9G0.4 (2) 2002MAN/BUS
1 (1) 16.7G1.0 69.9G4.2
(2) 10.1G0.2 42.3G0.8
2 (1) 8.8G0.5 36.8G2.1
(2) 4.9G0.2 20.5G0.8
(continued)
Table 21.1.2 (continued) BDEs of CuC–X Bonds
BDEs (boldfaceZ
recommended data;
3 (1) 5.1G0.6 21.3G2.5

(2) 3.8G0.2 15.9G0.8
4 (1) 1.0G0.2 4.2G0.8
(2) 2.1G0.1 8.8G0.04
5 (1) 1.0G0.3 4.2G0.8
CuC–CH2 (1) 61.3G1.2 256.6G5 GIB MS (1) 1986ELK/ARM

(2) 63.9G1.6 267.3G6.8 (2) 1990FIS/ARM
FeCuC–CH2 O79 O331 FT–MS 1987TEW/FRE
CuC–CH3 (1) 29.7G1.7 124G7 GIB MS (1) 1989GEO/FIS

(2) 26.5G1.6 111G7 (2) 1996ARM/KIC
CuC–CH2O 34.7G2.3 145G10 Review 1996ARM/KIC
CuC–C2H2 (1) O26.1G2.5 O109G11 (1) GIB MS (1) 1990FIS/ARM

(2) O5.1G2.3 21.2G9.6 (2) Revised (2) 1994FIS/ARM
CuC(C2H4)x–C2H4
xZ0 (1) 44–50 184–209 (1) GIB MS (1) 1996HER/KOC
(2) 42.0G3.2 176G14 (2) GIB MS (2) 1998SIE/JAR
(3) 45 188.3 (3) Review (3) 1998SCH/SCH
1 (1) 41.5G3.0 174G13
CuC–CH2CHCHCH2 !53 !222 FT-MS 1987TEW/FRE
FeCuC–CH2CHCHCH2 O29 O121 FT–MS 1987TEW/FRE

CuC–(CH3)2CHCH2CH3 !53 !222
FeCuC–(CH3)2CHCH2CH3 O28 O117
FeCuC–CH2CHCHCHCH3 O26 O109
CuC–(CH3)2CHCH(CH3)2 O53 O222 FT–MS 1987TEW/FRE

FeCuC–(CH3)2CHCH(CH3)2 O26 O109

FeCuC–cyclopenta-1,3-diene O24 O100
CuC(C6H6)x–C6H6
xZ0 (1) %53 %222 (1) FT–MS (1) 1987TEW/FRE
(2) 50 209 (2) PD (2) 1987HET/FRE
(3) %45.7 %191 (3) PD (3) 1992WIL/YEH
(4) 52.1G2.3 218.0G9.6 (4) CID (4) 1995MEY/KHA
1 (4) 37.1G2.8 155.3G11.6
FeCuC–C6H6 O21 O88 FT–MS 1987TEW/FRE

CuC–cyclohepta-1, O53 O222
3,5-trine
FeCuC–cyclohepta-1, O46 O192
3,5-trine
CuC–bicyclo[2.2.1]helpa O53 O222
-2,5-diene
CuC–O (1) 25–40 105–167 (1) ICR (1) 1981KAP/STA

(2) 38.3G3.5 160.2G14.6 (2) CID (2) 1990FIS/ELK
(3) 32.0G2.8 133.9G11.6 (3) CID (3) 1999ROD/WAL
FeCuC–O O85 O356 FT–MS 1987TEW/FRE
CuC(CO)x–CO
xZ0 35.6G1.7 149G7 CID 1995MEY/CHE
1 41.1G0.7 172G3
2 17.9G1.0 75G4
3 12.7G0.7 53G3
CuC–N2 (1) 6.2 26 (1) HP MS (1) 1989ELS/SCH

(2) 21.2G7.1 89G30 (2) Ion reactions (2) 1999ROD/WAL
CuC(NO)x–NO
xZ0 26.1G1.2 109.0G4.8 GIB MS 2002KOS/SCH
1 25.8G1.4 108.1G5.8
CuC(H2O)x–H2O
xZ0 (1) 11.9 49.8 (1) HP MS (1) 1989ELS/SCH
(2) 35.0 146.4 (2) CID (2) 1989MAG/DAV(b)
(3) 38.4G1.8 160.7G7.5 (3) CID (3) 1994DAL/HON
(continued)
BDEs (boldfaceZ
recommended data;
(4) 34.9 146 (4) CID (4) 2000VUK/STO

1 (1) 13.9 58.2
(2) 39.0 163.2
(3) 40.7G1.6 170.3G6.7
2 (3) 13.7G1.8 57.3G7.5
(5) 16.4G0.2 68.6G0.8 (5) HP MS (5) 1982HOL/CAS
3 (3) 12.8G1.0 53.6G4.2
(5) 16.7G0.2 69.9G0.8
CuC–furan 56 234 FT–ICR 2004GRI/MAN
CuC–NH2 (1) 48.2G3 202G13 (1) Ion reactions (1) 1991CLE/ARM

(2) 45.9G3 192G13 (2) Review (2) 1996ARM/KIC
CuC(NH3)x–NH3
xZ0 (1) 56.6G3.3 237G15 (1) CID (1) 1998WAL/ARM
1 (1) 59.3G2.4 248G10
2 (1) 11.0G1.4 46G6
(2) 14.0G0.2 58.6G0.8 (2) HP MS (2) 1982HOL/CAS
3 (1) 10.8G1.4 45G6
(2) 12.8G0.2 53.6G0.8
4 (2) 12.8G0.1 53.6G0.4
CuC(MeCN)x–MeCN
xZ0 56.9G0.8 238.2G3.2 CID 2001VIT/VAL
1 57.0G2.1 238.3G8.6
2 20.1G0.5 84.1G2.2
3 16.0G0.5 67.0G2.0
CuC(MeOH)x–MeOH
xZ0 13.4 56.1 HP MS 1989ELS/SCH
1 13.9 58.2
CuC–2L
LZH2O 76.0 318 ES MS 1998DEN/KEB
MeOH 83.8 351
EtOH 88.2 369
EtOEt 95.6 400
MeC(O)OMe 96.3 403
MeC(O)Me 95.2 398

EtC(O)Et 97.8 409
CuC–2L
LZEtCl 72.1 302 ES MS 1998DEN/KEB
EtBr 76.5 320
i-PrBr 80.8 338
CuC(L)x–L, LZDMEZ
dimethyl ether, MeOMe
x Z0 44.3G2.8 185.2G11.6 CID 2001KOI/ZHA
1 46.1G1.8 193.0G7.7
2 13.1G0.9 55.0G3.9
3 10.8G2.3 45.3G9.6
CuC(L)x-L, LZDXE
Zdimethoxyethane
xZ 0 63.2G1.8 264.4G7.7 CID 2001KOI/ARM
1 43.1G1.4 180.4G5.8
CuC(Me2CO)x–Me2CO
xZ 0 (1) 14.9 62.3 (1) HP MS (1) 1989ELS/SCH
(2) 48.2G1.0 201.8G4.3 (2) CID (2) 2002CHU/YAN
1 (1) 15.5 64.9
(2) 50.2G1.6 210.0G6.5
2 (2) 15.7G0.6 65.6G2.4
3 (2) 14.7G1.3 61.6G5.4
CuC–S (1) 62.0G1.8 259.4G8 GIB MS (1) 1995KIC/ARM

(2) 48.6G3.5 203.3G14.5 (2) 2002RUE/ARM
CuC–CS 57.0G2.8 238.3G11.6 GIB MS 2002RUE/ARM
CuC–2L
LZMeSH 92.0 385 ES MS 1998DEN/KEB
MeSMe 101.4 424
MeS(O)Me 112.8 472
CuC–2L
LZNH3 105.4 441 ES MS 1998DEN/KEB
Pr–NH2 115.8 485
MeCN 108.6 454
MeC(O)NH(Me) 111.0 464
(continued)
BDEs (boldfaceZ
recommended data;
MeC(O)N(Me)2 116.0 485

1-methyllimidazole 135.4 567
CuC–pyridine 59.2G2.4 247.5G10.1 CID 2000ROD/STA

CuC(pyrrole)x–pyrrole
xZ 0 59 247 Kinetics 2000GAP/YAN
1 44.0 184.1
CuC–adenine 71.2G2.6 298.1G11.0 GIB MS 2002ROD/ARM
CuCLx–L, LZimidazole
xZ 0 68.7G1.8 287.5G7.4 CID 2005RAN/AMU
1 61.8G2.2 258.4G9.2
2 19.6G0.6 82.0G2.6
3 15.8G0.5 66.0G2.0
CuC–a-amino acids
–arginine (Arg) 87.0G1.2 364G5 Kinetics 1999CER/WES(b)
–lysine (Lys) 84.8G1.2 355G5
–valine (Val) 67.6G1.2 283G5
CuC–Si 62.1G1.8 260G8 GIB MS 1995KIC/ARM

–SiH 58.8G6.5 246G27
–SiH2 R55.1G1.6 R231G7
–SiH3 23.1G6 97G25
CuC–Ge 55.1G5.5 231G23 Derived from IP 1996NIST

in ref.
Cu2C–H2O 76.1G13.8 318G58 CS MS 2001SCH/SCH

–H3N 131.4G13.8 550G58
21.1.3 CuK–X bonds

Table 21.1.3 BDEs of CuL–X Bonds
BDEs (boldfaceZ
recommended data;
CuK(Cu)x–Cu
xZ0 (1) 37.1 155.2 (1) Derived (1) 1987LEO/GO
(2) 38.2G2.1 160.0G8.7 (2) PES (2) 1990HO/ERV
(3) 37.8G3.5 158.2G14.5 (3) CID (3) 2000SPA/LEE
1 (3) 55.8G3.5 233.5G14.5
2 (3) 44.5G2.8 186.2G11.6
3 (3) 54.2G2.8 226.7G11.6
4 (3) 58.8G6.9 246.0G28.9
5 (3) 66.2G5.1 276.9G21.2
6 (3) 55.6G6.9 232.5G28.9
CuK–Ni 38.1G2.4 159G10 Derived from EA in 1996NIST

ref.
CuK–O 74.4G2.4 311.3G10 Derived from EA in 1996NIST

ref.
CuK(H2O)x–H2O
xZ0 (1) 8.8G0.5 36.7G1.9 (1) PES (1) 1996MIS/TSU
(2) 9.0 37.6 (2) Derived (2) 2004TAY/MUN
(3) 9.7 40.5 (3) Derived (3) 2005RAT/SAN
1 (1) 11.5G0.5 48.2G1.9
21.2 Ag–, AgC–, and AgK–X bonds

21.2.1 Ag–X bonds
Table 21.2.1 BDEs of Ag–X Bonds
BDEs (boldfaceZ
recommended data;
The Broken Bonds Methods
Ag(Ag)x–Ag
xZ0 (1) 39.0G2 163G8 (1) Review (1) 1970DAR
(2) 38.5G0.9 161.1G3.9 (2) Spectroscopy (2) 1986MOR
(3) 37.8G0.8 158.0G3.4 (3) MS (3) 1993RAN/SCH
(4) 39.4 164.8 (4) Review (4) 1996SMI/YAT
(5) 38.9G0.7 162.8G2.9 (5) Spectrometry (5) 1998LAN/MOR
1 (1) 22.4G3.7 93.6G15.4
Ag–Ag on a (100) terrace 6.9 28.9 Review 2004THI/EVA
Ag(100, surf.)–Ag 0.7G0.1 (phys) 2.9G0.5 STM 1998ZHA/BAR
Ag(100, surf.)–Ag (1) 9.2G1.2 38.6G4.8 (1) LEIS/TOF (1) 1996LAN/BOE

(2) 7.6G0.1 31.8G0.5 (2) STM (2) 1997ZHA/BAR
(3) 8.8 36.7 (3) STM (3) 1998ZHA/BAR
(4) 9.2G0.9 38.6G3.9 (4) STM (4) 1998BAR/STO
Ag(110, surf.)–Ag 8.8G0.7 36.7G2.9 HAS 2003PED/BRA
Ag(111, surf.)–Ag (1) w3.5 (phys) w14.5 (1) STM (1) 1995MEY/VRI
(2) 2.8G0.3 11.6G1.4 (2) STM (2) 1995BRO/BRU
(3) 4.2 17.4 (3) LEED (3) 1996LUO/WOL
(4) 3.0G0.9 12.5G3.9 (4) STM (4) 1998MOR/ROS
(5) 3.5G0.7 14.5G2.9 (5) STM (5) 1998ROO/TRI
Ag(111, surf.)–Ag (1) 68 285 (1) Review (1) 1995SEE/ALL

(2) 16.4G0.7 68.5G2.9 (2) STM (2) 1998MOR/ROS
AgBr(111, surf.)–Ag 7.8 32.8 Radio 1971TAN/PER

Pt(111, surf.)Ag–Ag 1.4G0.2 5.8G1.0 STM 1995BRU/BRO
Ag–Cu (1) 41.6 174.1 (1) MS (1) 1960ACK/STA

(2) 41G2 172G8 (2) Review (2) 1979DAR
(3) 41.0G2.3 171.5G9.6 (3) Spectroscopy (3) 1991BIS/MAR
Ag–Au (1) 48.5 202.9 (1) MS (1) 1960ACK/STA

(2) 48.5G2.3 202.9G9.6 (2) Review (2) 1986MOR
Ag–Li (1) 41.5G1.5 173.6G6.3 (1) MS (1) 1974NEU/ZMB(b)

(2) 47.5 198.8 (2) PI (2) 1995PIL/DUN
(3) 44.5 186.1 (3) R2PI (3) 1997BRO/KNI
Ag–Na 31.8G3 133.1G12.6 Recommended 1979PEL/PIA
Ag–Nd !51 !213 MS 1974GUR/KAR
Ag–Eu 30.4G3.1 127G13 MS 1989CHA/GIN
Ag–Dy (1) 30.6G5.7 128G24 MS (1) 1989CHA/GIN

(2) 31G4.5 130G19 (2) 1981HIL
Ag–Ho 29.6G4.5 124G19 MS 1989CHA/GIN
Ag–Mn 23.7G5 99.2G21 Review 1986MOR
Ag(polycs. surf.)–Ni 26 (phys) 109 LEED 1970PIN/GRE
Ag(polycs. surf.)–Ni 98 410 Review 1995SEE/ALL
Ag–Al 43.9G2.2 183.7G9.2 MS 1973CUT/FAB
(continued)
Table 21.2.1 (continued) BDEs of Ag–X Bonds
BDEs (boldfaceZ
recommended data;
Ag–Ga (1) 43.0G3.6 180G15 (1) MS (1) 1972CAR/BER

(2) 38G4 159G17 (2) Review (2) 1974GUR/KAR
Ag–In (1) 42G4 176G17 (1) Review (1) 1974GUR/KAR

(2) 39.8G1.2 166.5G4.9 (2) MS (2) 1989BAL/NUN
Ag(100, surf.)–In 7.1G0.7 (phys) 30.0G3 PACT 1990FIN/WES
Ag(100, surf.)–In 70 293 Review 1995SEE/ALL
Ag(110, surf.)–He (1) 0.14 0.58 Scattering (1) 1982LUN/MAT

(2) 0.14 0.58 (2) 1987JON/WEA
Ag(111, surf.)–He (1) 0.3 1.1 Scattering (1) 1972WEI

(2) 0.16 0.68 (2) 1973SAU/MER
(3) 0.2 0.9 (3) 1980HOR/YER
(4) 0.16 0.68 (4) 1987JON/WEA
Ag(111, surf.)–Ar 2.3 9.6 LEED 1982UNG/BRU
Ag(110, surf.)–Kr 1.4 5.9 LEED 1969STE/MOR
Ag(111, surf.)–Kr 2.5 10.3 LEED 1982UNG/BRU
Ag(110, surf.)–Xe 6.1 25.6 LEED 1969STE/MOR
Ag(111, surf.)–Xe (1) 4.3 18G1 (1) LEED (1) 1976MCE/RAP

(2) 4.9G0.3 20.4G1.4 (2) LEED (2) 1982UNG/BRU
(3) 5.2 21.8 (3) TDS (3) 1986BEH/BRU
(4) 4.9G0.3 20.4G1.4 (4) Review (4) 1991VID/IHM
Ag–H (1) 55G3 230G13 (1) Review (1) 1970DAR

(2) 50.5G2 211.3G8.4 (2) MS (2) 1979KAN/MOO
(3) 48.4G2.3 202.4G9.6 (3) Ion reactions (3) 1995CHE/ARM
Ag–D 54.2 226.8 Review 1979HUB/HER
Ag(polycs. surf.)–H 40 167 Electrochemical 1970KRI
Ag(111, surf.)–H (1) 57.6 241 Review (1) 1988CHR

(2) 52 218 (2) 1991BEN
Ag–F (1) 84.7G3.9 354.4G16.3 (1) Review (1) 1968GAY

(2) 84.8 354.8 (2) Review (2) 1979HUB/HER
(3) 85.3G1.4 356.9G5.8 (3) MS (3) 1991HIL/LAU
(4) 82.3 344.3 (4) MS (4) 2005HIL
Ag–Cl (1) 75G5 314G21 (1) Review (1) 1970DAR

(2) 75.1 314.2 (2) Review (2) 1979HUB/HER
(3) 75.1 314.2 (3) MS (3) 1996HIL/LAU(b)
(4) 75.1 314.2 (4) Derived (4) 2004HIL/LAU
Ag(111, surf.)–Cl w60 w251 Est. by exp. 2003PUR/BOC
Ag–Br (1) 70G7 293G29 (1) Review (1) 1968GAY

(2) 70G10 293G42 (2) Review (2) 1970DAR
(3) 72.4 302.9 (3) Review (3) 1979HUB/HER
(4) 67.0G0.3 280.3G1.3 (4) Derived (4) 2005HIL/LAU(b)
Ag–I (1) 56G7 234G29 (1) Review (1) 1968GAY

(2) 68.7 287.4 (2) Review (2) 1970DAR
(3) 60.9 254.9 (3) Review (3) 1979HUB/HER
(4) 60.2 251.9 (4) Derived (4) 2005HIL
Ag–O (1) 53.5G3.5 223.8G14.6 (1) MS (1) 1972SMO/MAN

(2) 52.7G5 221G21 (2) Review (2) 1990SIM/BEA
(continued)
BDEs (boldfaceZ
recommended data;
Ag(surf.)–O 80 335 TPD 1994MAD/ROB
Ag(100, surf.)–O 84.0 351.5 Review 2003ZEI
Ag(110, surf.)–O 86.4 361.5 Review 2003ZEI
Ag(111, surf.)–O 80 335 TDS 1985CAM
Ag–S 51.8G3.5 216.7G14.6 MS 1972SMO/MAN
Ag(100, surf.)–S 81 339 Review 1982BAR/AGR

Ag(110, surf.)–S 84 351
Ag(111, surf.)–S 78 326
Ag–Se 50.2G3.5 210.0G14.6 MS 1972SMO/MAN

–Te 46.8G3.5 195.8G14.6
Ag(100, surf.)–N 105.0 439.3 Review 2003ZEI

Ag(110, surf.)–N 108.0 451.9
Ag(111, surf.)–N 100.0 418.4
Ag–Bi 46G10 192G42 Review 1974GUR/KAR
Ag(111, surf.)–C w70 w293 Est. by exp. 2003PUR/BOC
Ag–Si 44.2G2.3 185.1G9.6 TOF MS 1995SCH/PAU
Ag–Ge 41.7G5 174.5G21 MS 1972NEC/SOD

Ag–Sn 32.5G5 136G21 MS 1962ACK/DRO
Ag(110, surf.)–KCl 36.9 154 Photoemission 1990SEN
Ag(111, surf.)–KCl 25.4G2.3 106G10 AES 1986SEN
Ag(110, surf.)–H2 0.73 3.06 Scattering 1985YU/WHA
Ag(111, surf.)–H2 0.75 3.14 Scattering 1985YU/WHA
Ag(110, surf.)–D2 0.73 3.06 Scattering 1985CHI/MAT
Ag(111, surf.)–D2 w0.74 w3.1 Scattering 1985YU/WHA
Ag(111, surf.)–HD 1.2 (phys) 5.1 Scattering 1984WHA/LIG
Ag(100, surf.)–Cl2 60 251 Calorimetry 1979TU/BLA

Ag(110, surf.)–Cl2 55 230
Ag(111, surf.)–Cl2 55 230
Ag(surf.)–O2 14.8 62 Review 1982RAO/KAM
Ag(plate, surf.)–O2 8.3 34.7 Calorimetry 1979TOY/SOM
Ag(100, surf.)–O2 11.5G2.8 48.2G11.6 Desorption 1997MON/VAL
Ag(110, surf.)–O2 1.8 (phys) 7.5 LEED 1969STE/MOR
Ag(110, surf.)–O2 (1) 11 46 (1) TDS (1) 1980BAR/MAD

(2) 10.8 45.2 (2) TDS (2) 1985CAM
(3) 5.1G1.2 21.2G4.8 (3) STM (3) 1997BAR/ZAM
(continued)
BDEs (boldfaceZ
recommended data;
Ag(110, surf.)–O2 (1) 40G2 167G8 (1) TDS (1) 1976ENG/MEN

(2) 35.1 147 (2) Re-anal. (2) 1980BOW
Ag(111, surf.)–O2 (1) 14.7 61.5 TD (1) 1966OTT

(2) 11–21 46–88 (2) 1974ROV/PRA
(3) 12.4 51.9 (3) 1985CAM
Ag(111, surf.)–O2 35 146 TDS 1974ROV/PRA
Ag(110, surf.)–OH 55 230 TDS 1987BAN/MAD
Ag(polycr. surf.)–CO (1) 8.7 36 (1) Isothermal (1) 1953TRA

(2) 18–20 75–84 (2) IR (2) 1967KAV/SOK
Ag(110, surf.)–CO 13.9G0.7 58G3 LEED 1976MCE/PRI
Ag(111, surf.)–CO 6.5G0.4 27G1.5 TDS 1976MCE/PAP
Ag(100, surf.)–N2 0.9 3.8 Scattering 1982MUH/SER
Ag(110, surf.)–N2 2.4 10 TDS 1998RAM/GIR
Ag(110, surf.)–NO w25 w104 TDS 1976MCE/PAP
Ag(111, surf.)–NO 4–5 (phys) 17–21 TDS 1984BEH/BRU

Ag(110, surf.)–H2O (1) 11.6G0.3 48.5G1.3 (1) TPD (1) 1984KLA/MAD

(2) 9–10 38–42 (2) TDS (2) 1987BAN/MAD
(3) 14.3G0.4 60.0G1.7 (3) TPD (3) 1989WU/PET
(4) 11.5G0.5 48.3G2.2 (4) SHG (4) 2005DOU/JEN
Ag(110, surf.)–D2O 15.2G0.4 63.4G1.7 TPD 1989WU/PET
Ag(110, surf.)–SO2 9.8–15.3 41–64 TPRS 1984OUT/MAD
Ag(Ag)x–NH3
xZ0 (1) !9.5 !40 (1) PD (1) 1996MIT/LIA
(2) 2G3.1 8G13 (2) Derived (2) 2003MIY/SUG
(3) 2G3 8G13 (3) Derived (3) 2005LI/SOH
1 (1) 15G1 62.8G4.2
(4) 14.7G2 61.5G8.4 (4) IRMPD (4) 1995RAY/LIA
Ag(Ag)x–NH3
xZ9 9.2 38.5 Equilibrium 1996LIA/MIT
15 15.3G1 64.0G4.2
Ag(100, surf.)–NH3 11 46 Spectrometry 1989THO/MAD
Ag–CH3 32.1G1.6 134.1G6.8 Ion reactions 1995CHE/ARM
Ag(110, surf.)–CH4 1.0 (phys) 4.2 LEED 1969STE/MOR
Ag(111, surf.)–CH3X
XZCl 6.7 28.2 TPD 1989ZHO/SOL
Br 7.6 31.8
I 9.3 39.0
Ag(110, surf.) 14.7 61.5 TPRS 1978WAC/MAD(b)

–CH3OH
(continued)
BDEs (boldfaceZ
recommended data;
Ag(111, surf.)
–CH2CHCl (1) w10.7 w44.8 (1) TDS 2003PUR/BOC
–CHCH2 (2) w43 w178 (2) Est. by exp.
Ag(110, surf.)–C2H2 1.0 (phys) 4.2 LEED 1969STE/MOR
Ag(110, surf.)–C2H4 1.6 (phys) 6.7 LEED 1969STE/MOR
Ag(100, surf.)–C2H4 6.2 26 Mol. beam 2002VAT/ROC
Ag(111, surf.)–C2H4 (1) w9 w38 (1) TPD (1) 1992ZHO/WHI

(2) w9.3 w39 (2) RAIR (2) 2001STA/WU
Ag(111, surf.) 10.8 45 RAIR 2001STA/WU

–C2H4O
Ag(110, surf.)–C3H6 11.7G0.4 49.0G1.7 TPD 1996CRE/MAD

–C3H8 9.2G0.4 38.5G1.7
Ag(110, surf.)–C4H8 13.3G0.7 55.6G2.9 TPD 1995CRE/MAD(b)
Ag(110, surf.)–iso-C4H8 13.3G0.8 55.6G3.3 TPD 1995CRE/MAD(b)
Ag(111, surf.) 15.5 64.9 TPD 2001LEE/RYU

–PhOH
Ag(111, surf.) 11.5 48.3 TPD 2001YAN/ROC

–pyridine
Ag(111, surf.) (1) 12.5 52.5 TPD (1) 2001YAN/ROC

–aniline (2) 17.7G1.2 74G5 (2) ROC/YAN
Ag(111, surf.) 29–31 120–130 TPD 2005LAN/HAU

–tetracene
Ag(111, surf.) 33.0 138 TOF/DRS 2006ROD/GAY

–CH3(CH)2SH
Ag2–Ar (1) 0.79 3.3 Spectra. (1) 1991WIL/CHE(b)

–Kr (1) 1.13 4.73
–Xe (2) 3.53 14.8 (2) 1992ROB/WIL
21.2.2 AgC–X bonds

Table 21.2.2 BDEs of AgD–X Bonds
BDEs (boldfaceZ
recommended data;
AgC–Ag (1) 39.9 166.8 (1) Derived (1) 1996SMI/YAT

(2) 40.1G2.1 167.9G8.7 (2) CID (2) 1999KRU/DIE(b)
AgC(Ag)x–Ag
xZ2 (1) 24.2G1.2 101.3G4.8 (1) CID (1) 1999KRU/DIE(b)
4 (1) 29.5G3.7 123.5G15.4
6 (1) 50.5G3.7 211.3G15.4
7 (1) 68.0G4.6 284.6G19.3
8 (1) 36.4G2.5 152.3G10.6
10 (1) 43.1G2.5 180.4G10.6
12 (1) 46.1G2.5 193.0G10.6
(2) 42.0G1.4 176G6 (2) Re-analyzed (2) 2003HAN/HER
13 (1) 57.9G3.2 242.2G13.5
(2) 56.9G3.9 238G16
14 (1) 47.3G2.5 197.8G10.6
(2) 44.5G2.8 186G12
15 (1) 58.8G3.2 246.0G13.5
16 (1) 54.2G3.0 226.7G12.5
(2) 53.3G6.2 223G26
(continued)
Table 21.2.2 (continued) BDEs of AgC–X Bonds
BDEs (boldfaceZ
recommended data;
17 (1) 60.2G3.2 251.8G13.5

18 (1) 53.7G3.0 224.8G12.5
19 (1) 59.5G3.2 248.9G13.5
20 (1) 43.4G2.5 181.4G10.6
21 (1) 50.5G2.8 211.3G11.6
22 (1) 44.5G2.5 186.2G10.5
23 (1) 50.3G2.8 210.3G11.6
AgC(Ag)x–Ag2
xZ0 62.3G3.2 260.5G13.5 CID 1999KRU/DIE(b)
2 45.4G2.5 190.1G10.6
4 52.1G3.9 218.1G16.4
8 49.3G3.0 206.5G12.5
10 55.6G3.0 232.5G12.5
AgC–Cu 36.2G2.4 151.6G10 Derived from IP 1996NIST

in ref.
–Eu 20G11.9 85G50
–Ho 37G14.6 155G61
AgC–Fe 46G7 192G29 FT-ICR 1991NG/GOR
AgC–Al 2G12 9G50 Derived from IP 1996NIST

in ref.
AgC–H 10.4G1.4 43.5G5.9 GIB MS 1995CHE/ELK
AgC–F (1) w3 w13 (1) Derived (1) 1974GUR/KAR

IP in ref.
AgC–Cl (1) 17 71 (1) Derived (1) 1974GUR/KAR

IP in ref.
AgC–Br 34.9G7.3 146G31 Derived from IP 1996NIST

–I 27.7G7.3 116G31 in ref.
AgC–CH2 R25.6G0.9 R107G4 Ion reactions 1995CHE/ARM

–CH3 R15.9G1.2 R66.6G4.8
AgC
5 ðCH4 Þx –CH4
xZ0 (1) 6.7G0.2 28.0G0.8 (1) Equilibrium (1) 2005MAN/KEM(b)
1 (1) 5.9G0.3 24.7G1.3
2 (1) 5.0G0.5 20.9G2.1
3 (1) 4.5G0.2 18.8G0.8
4 (1) w1.8 w7.5
AgC(C2H4)x–C2H4
xZ0 (1) 33.7 141 (1) HP MS (1) 1991GUO/CAS
(2) R5.3G1.6 R22G7 (2) GIB MS (2) 1995CHE/ARM
(3) 34 142 (3) Review (3) 1998SCH/SCH
(4) 32.2G3.0 134.7G12.6 (4) Equilibrium (4) 2005MAN/KEM
1 (1) 32.4 136
(4) 30.1G1.3 125.9G5.4
2 (4) 13.6G0.8 56.9G3.3
3 (4) 6.5G0.8 27.2G3.3
4 (4) 4.4G0.6 18.4G2.5
5 (4) w3.3 w13.8
AgC
2 ðC2 H4 Þx –C2 H4
xZ0 (1) 24.7G2.0 103.3G8.4 (1) Equilibrium 2005MAN/KEM
1 (1) 22.5G1.8 94.1G7.5
2 (1) 12.5G1.0 52.3G4.2
3 (1) 7.7G0.6 32.2G2.5
4 (1) 2.9G0.8 12.1G3.3
AgC
3 ðC2 H4 Þx –C2 H4
xZ0 21.6G0.5 90.4G2.1 Equilibrium 2005MAN/KEM(b)
1 19.8G0.6 82.8G2.5
2 17.3G0.3 72.4G1.3
3 5.7G0.4 23.8G1.7
AgC
4 ðC2 H4 Þx –C2 H4
xZ0 19.4G1.4 81.2G5.9 Equilibrium 2006MAN/KEM
1 18.7G0.6 78.2G2.5
2 17.6G0.2 73.6G0.8
3 12.8G0.5 53.6G2.1
(continued)
BDEs (boldfaceZ
recommended data;
AgC
5 ðC2 H4 Þx –C2 H4
xZ0 (1) 18.8G0.8 78.7G3.3 (1) Equilibrium (1) 2005MAN/KEM(b)
1 (1) 18.4G0.8 77.0G3.3
2 (1) 25.9G0.5 108.4G2.1
3 (1) 9.3G0.4 38.9G1.7
4 (1) 8.9G0.4 37.2G1.7
5 (1) 4.5G0.4 18.8G1.7
AgC
6 ðC2 H4 Þx –C2 H4
xZ0 26.0G2 108.8G8.4 Equilibrium 2006MAN/KEM
1 22.3G0.3 93.3G1.3
2 14.8G0.4 61.9G1.7
3 11.4G0.3 47.7G1.3
4 8.6G0.4 36.0G1.7
5 6.9G0.6 28.9G2.5
AgC
7 ðC2 H4 Þx –C2 H4
1 22.5G0.7 94.1G2.9
2 12.9G0.3 54.0G1.3
3 10.1G0.2 42.3G0.8
4 8.2G0.4 34.3G1.7
5 6.5G0.5 27.2G2.1
6 5.6G0.5 23.4G2.1
AgC
8 ðC2 H4 Þx –C2 H4
1 15.5G0.4 64.9G1.7
2 11.3G0.2 47.3G0.8
3 10.8G0.6 45.2G2.5
4 9.7G0.6 40.6G2.5
5 7.2G0.4 30.1G1.7
6 6.2G0.6 25.9G2.5
7 w5.6 w23.4
AgC
9 ðC2 H4 Þx -C2 H4
1 14.9G0.7 62.3G2.9
2 12.7G0.4 53.1G1.7
3 10.8G0.2 45.2G0.8
4 9.6G0.4 40.2G1.7
5 8.1G0.4 33.9G1.7
6 6.7G0.4 28.0G1.7
AgC
10 ðC2 H4 Þx –C2 H4
1 15.9G0.5 66.5G2.1
AgC
11 ðC2 H4 Þx –C2 H4
1 13.8G0.5 57.7G2.1
AgC
12 ðC2 H4 Þx –C2 H4
1 13.6G0.7 56.9G2.9
AgC
13 –C2 H4 16.3G0.4 68.2G1.7 Equilibrium 2006MAN/KEM
AgC–C2H5 15.7G1.8 65.7G7.5 Ion reactions 1995CHE/ARM
AgC(C3H6)x–C3H6
xZ0 (1) 39.2G3.0 164.0G12.6 (1) Equilibrium (1) 2005MAN/KEM
1 (1) 32.9G1.5 137.7G6.3
2 (1) 13.3G1.0 55.6G4.2
3 (1) 7.0G1.0 29.3G4.2
3 (1) 7.0G1.0 29.3G4.2
4 (1) 3.0G0.8 12.6G3.3
AgC
2 ðC3 H6 Þx –C3 H6
1 (1) 25.8G1.5 107.9G6.3
2 (1) 12.4G0.8 51.9G3.3
3 (1) 9.3G0.5 38.9G2.1
4 (1) 4.4G0.6 18.4G2.5
AgC
3 ðC3 H6 Þx –C3 H6
1 (1) 21.4G0.9 89.5G3.8
2 (1) 18.9G0.4 79.1G1.7
3 (1) 4.9G0.2 20.5G0.8
4 (1) 4.3G0.6 18.0G2.5
(continued)
BDEs (boldfaceZ
recommended data;
AgC
4 ðC3 H6 Þx –C3 H6
1 (1) 21.0G0.5 87.9G2.1
2 (1) 18.4G0.7 77.0G2.9
3 (1) 12.5G0.6 52.3G2.5
4 (1) 3.8G0.6 15.9G2.5
AgC
5 ðC3 H6 Þx –C3 H6
1 20.5G0.7 85.8G2.9
2 25.3G0.4 105.9G1.7
3 11.3G0.6 47.3G2.5
4 9.4G0.7 39.3G2.9
5 6.0G0.7 25.1G2.9
AgC
6 ðC3 H6 Þx –C3 H6
1 20.0G0.7 83.7G2.9
2 15.0G1.0 62.8G4.2
3 13.9G1.1 58.2G4.6
4 11.1G0.6 46.4G2.5
5 9.8G0.5 41.9G2.1
AgC
7 ðC3 H6 Þx –C3 H6
1 21.0G0.9 87.9G3.8
2 14.4G0.5 60.2G2.1
3 13.2G0.8 55.2G3.3
4 12.0G0.3 50.2G1.3
5 10.8G0.3 45.2G1.3
6 8.5G0.2 35.6G0.8
AgC
8 ðC3 H6 Þx –C3 H6
1 16.9G0.5 70.7G2.1
2 15.2G0.3 63.6G1.3
3 12.9G0.6 54.0G2.5
4 11.6G0.3 48.5G1.3
5 10.6G0.5 44.4G2.1
6 w8.3 w34.7
AgC
9 ðC3 H6 Þx –C3 H6
1 16.2G0.5 67.8G2.1
2 14.6G0.8 61.1G3.3
3 13.0G0.8 54.4G3.3
4 11.2G0.4 46.9G1.7
5 10.2G0.2 42.7G0.8
6 8.5G0.2 35.6G0.8
7 w7 w29
AgC(L)x–L,
LZisoprene
xZ0 39.2G4.6 164G19 Kinetics 1997HO/YAN
1 38.5G4.6 161G19
AgC
x ðMÞ2 –L; O40.1 O167.6 FT-MS 1988BUC/GOR(b)
LZ butadiene;
MZ sKC4 H9 NH2 ;
xZ 3; 5
AgC(L)x–L,
LZ2-pentene
xZ0 37.8G4.6 158G19 Kinetics 1997HO/YAN
1 39.0G4.6 163G19
AgC(C6H6)x–C6H6
xZ0 (1) 37.4G1.7 156.5G7.1 (1) Ion reactions (1) 1993CHE/ARM
(2) 39.9G4.6 167G19 (2) Kinetics (2) 1997HO/YAN
1 (2) 34.6G4.6 145G19
AgC
2 –C6 H6 %42 %176 PD 1992WIL/TEH
AgC–C6H5CH3 %45 %188 PD 1991WIL/CHE
AgC–2(C6H6) 68.2G3 285G13 HP MS 1998DEN/KEB
AgC–COT, COTZ w60% w251% Derived 2004JAE/DUN

cyclooctatetraene
(continued)
BDEs (boldfaceZ
recommended data;
AgC–O 29.4G1.2 123G5 Ion beam 1995CHE/ARM(c)
AgC(O2)x–O2
1 7.6G0.2 31.8G0.8
2 5.7G0.2 23.6G0.8
3 w4.8 w20
AgC(CO)x–CO
xZ0 21.3G1.2 89G5 CID 1995MEY/CHE
1 26.1G1.0 109G4
2 13.1G1.9 55G8
3 10.8G1.0 45G4
AgC(H2O)x–H2O
xZ0 (1) 33.3G0.2 139.3G0.8 (1) HP MS (1) 1982HOL/CAS
(2) 32.0G2 134G8 (2) GIB MS (2) 2003KOI/LAR(b)
1 (1) 25.4G0.3 106.3G1.3
(2) 30.4G2 127G8
2 (1) 15.0G0.1 62.8G0.4
(2) 15.1G2.2 63G9
3 (1) 14.9G0.2 62.3G0.8
(2) 12.2G2.9 51G12
4 (1) 13.7G0.2 57.3G0.8
5 (1) 13.3G0.6 55.6G2.5
AgC(MeOH)x–MeOH
xZ0 36.6G1.7 153G7 CID 2003KOI/LAR
1 32.7G1.4 137G6
2 15.3G1 64G4
3 13.1G2.4 55G10
AgC–CH3COH 43.6G4.6 182G19 Kinetics 1997HO/YAN
AgC(L)x–L,
LZCH3OCH3
xZ0 35.1G2 147G8 CID 2003KOI/LAR(b)
1 33.9G2 142G8
2 15.1G4.1 63G17
3 8.1G2.4 34G10
AgC(L)x–L,
LZCH3COCH3
xZ0 (1) %31 %130 (1) PD (1) 1991WIL/CHE
(2) 38.3G4.6 160G19 (2) Kinetics (2) 1997HO/YAN
1 (2) 40.8G4.6 171G19
AgC(L)x–L, LZCH3CN
xZ0 39.4 164.8 CID 2001SHO/ARI
1 34.7 145.2
AgC(L)2–L, LZC5H5N
xZ2 16.7G0.2 69.9G0.8 HP MS 1982HOL/CAS
3 17.9G0.2 74.9G0.8
AgC–2L
LZH2O 56.5G3 236G13 HP MS 1998DEN/KEB
MeOH 64.6G3 270G13
EtOH 70.9G3 297G13
AgC–2L
LZEtBr 63.6G3 266G13 HP MS 1998DEN/KEB
i-PrBr 67.1G3 281G13
AgC–2L
LZMeC(O)OMe 73.3G3 307G13 HP MS 1998DEN/KEB
MeC(O)Me 71.4G3 299G13
EtOEt 78.5G3 328G13
AgC–S 29.4G3.1 123G13 Ion reactions 2003ARM
AgC–CS 36.3G4.8 152G20 GIB MS 2000ROD/ARM(b)
AgC(NH3)x–NH3
xZ0 (1) 40.6G3 170G13 (1) CID (1) 2002ARI/ROD
1 (2) 36.9G0.8 154.4G3 (2) HP MS (2) 1982HOL/CAS
(continued)
BDEs (boldfaceZ
recommended data;
2 (2) 14.6G0.1 61.1G0.4

3 (2) 13.0G0.1 54.4G0.4
4 (2) 12.8G0.2 53.6G0.8
AgC–2L
LZNH3 85.6G3 358G13 HP MS 1998DEN/KEB
MeCN 84.5G3 354G13
MeSMe 86.4G3 361G13
AgC
2 ðAgÞx –Ag
xZ8 32.7G3 137.0G12.5 CID 1999KRU/DIE
9 48.9G4.2 204.5G17.4
10 35.7G3.5 149.5G14.5
11 33.4G2.8 139.9G11.6
12 39.4G2.8 165.0G11.6
13 45.4G3 190.1G12.5
14 51.0G3.2 213.2G13.5
15 61.8G3.5 258.6G14.5
16 51.4G3 215.2G12.5
17 63.3G3.7 264.6G15.4
18 54.7G3 228.7G12.5
19 61.8G3.5 258.6G14.5
20 51.2G2.8 214.2G11.6
21 64.6G3.7 270.2G15.4
22 45.4G2.5 190.1G10.6
23 51.9G3 217.1G12.5
24 49.3G2.8 206.5G11.6
AgC
2 ðO2 Þx –O2
1 4.5G0.3 18.8G1.3
2 w3.5 w14.6
21.2.3 AgK–X bonds

Table 21.2.3 BDEs of AgL–X Bonds
BDEs (boldfaceZ
recommended data;
AgK–Ag (1) 45.2G3.5 189.0G14.5 (1) PES (1) 1993HO/POL

(2) 32.5 135.9 (2) Derived (2) 1996SMI/YAT
(3) 42.3 177 (3) Review (3) 2001ARM
AgK(Ag)x–Ag
xZ1 (1) 55.7 233 (1) Review (1) 2001ARM
2 (1) 31.3 131
3 (1) 44.7 187
4 (1) 43.5 182
5 (2) 57.2G1.8 239.3G7.7 (2) PD (2) 1999SHI/SPA
6 (2) 38.0G0.9 159.2G3.9
7 (2) 52.3G1.8 219.0G7.7
8 (2) 42.0G0.9 175.6G3.9
9 (2) 54.9G1.8 229.6G7.7
AgK(Ag2)x–Ag2
xZ2 59.0G1.6 247.0G6.8 PD 1999SHI/SPA
3 52.2G2.1 218.4G8.7
4 56.5G2.5 236.4G10.6
21.3 Au–, AuC–, and AuK–X bonds

21.3.1 Au–X bonds
Table 21.3.1 BDEs of Au–X Bonds
BDEs (boldfaceZ
recommended data;
Au(Au)x–Au
xZ0 (1) 53.9 225.6 (1) MS (1) 1957SCH
(2) 53.7G0.5 224.7G1.9 (2) PES (2) 1990HO/ERV
(continued)
Table 21.3.1 (continued) BDEs of Au–X Bonds
BDEs (boldfaceZ
recommended data;
(3) 53.7G0.2 224.7G0.8 (3) Spectrometry (3) 1991BIS/MOR

(4) 54.1G0.1 226.2G0.5 (4) Spectrometry (4) 1994JAM/KOW(b)
(5) 54.2 226.6 (5) Review (5) 1996SMI/YAT
1 (6) 34.8G3.5 145.7G14.5 (6) Derived (6) 1986MOR
TbAux–Au
xZ1 86.7G1 362.9G4 Derived from DfH0 2004MES/KLE
2 84.5G1 353.5G4 in ref.
DyAux–Au
2 84.8G1 354.7G4 in ref.
ErAux–Au
2 83.3G1 348.4G4 in ref.
TmAux–Au
2 83.5G1 349.3G4 in ref.
Au(100, surf.)–Au w14 w58 STM 1994GUN/KOP
Au(110, surf.)–Au (1) 16.1G2.3 67.5G9.6 (1) STM (1) 1995KUI/HOO

(2) 11.2 47.0 (2) Photoemission (2) 2005POP/REI
Au–Cu (1) 55.4 231.8 (1) MS (1) 1960ACK/STA

(2) 54.9G2.3 229.7G9.6 (2) Review (2) 1986MOR
(3) 54.3G0.3 227.1G1.2 (3) Spectrometry (3) 1993BEH/ARR(b)
Au–Ag (1) 48.5 202.9 (1) MS (1) 1960ACK/STA

(2) 48.5G2.3 202.9G9.6 (2) Review (2) 1986MOR
Au(111, surf.)–Ag 1.5 6.2 Photoemission 2005POP/REI
Au–Li (1) 68.0G1.6 284.5G6.7 MS (1) 1974NEU/ZMB

–Na (2) 51.4G3 215.1G12.6 (2) 1977PIA/GIN
Au–Rb 58.1G0.7 243G3.3 MS 1981BUS/WEI

–Cs 60.4G0.8 253G3.5
Au–Be (1) 68G2 285G8 (1) Review (1) 1968GAY

(2) 73 305 (2) Review (2) 1973LIT/SPA
(3) 56.8G1.0 237.7G4.0 (3) MS (3) 2004BAL/CIO
Au–Mg 42.8G0.6 179.1G2.7 MS 2003BAL/CIC
Au–Ca (1) 57.8 242 (1) Review (1) 1980GIN

(2) 59.8G1.0 250.4G4 (2) MS (2) 2004BAL/CIO
Au–Sr (1) 88 368 Review (1) 1973LIT/SPA

(2) 63G10 264G42 (2) 1974GUR/KAR
Au–Ba 60.9G2.4 254.8G10 Review 1980GIN
Au–Sc (1) 66.9G9.6 280G40 (1) MS (1) 1989CHA/GIN

–Y (1) 74.1G3 310G12
–La (1) 109G7 457G28
(2) 80.2G2.3 335.7G9.6 (2) Review (2) 1986MOR
–Ce (1) 77G4.3 322G18
–Pr (1) 74.3G6 311G25
–Nd (1) 70.3G7 294G29
–Eu (1) 58.6G3 245G12
–Tb (1) 68.1G8 285G33
–Dy (1) 61.9G5.7 259G24
–Ho (1) 63.8G8.4 267G35
–Lu (1) 79.3G4.5 332G19
Au–U (1) 73.8G7 309G29 (1) MS (1) 1967GIN/BLU

(2) 76G7 318G29 (2) Review (2) 1974GUR/KAR
(continued)
BDEs (boldfaceZ
recommended data;
Au–V 58.8G2.1 246.0G8.7 Review 1986MOR
Au–Cr (1) 50.5G1.5 211.3G6.5 Review (1) 1970DAR

(2) 53.5G6.9 223.7G28.9 (2) 1986MOR
Au–Mn (1) 43.4G3.0 181.6G12.6 (1) MS (1) 1968SMO/DRO

(2) 47.3G5 197.7G21 (2) Review (2) 1986MOR
Au–Fe 44.7G4.6 187.0G19.3 Review 1986MOR
Au–Co 52.1G3.9 218.0G16.4 Review 1986MOR

–Rh 55.6G7 232.6G30
Au–Ni (1) 58.8G6.9 246G29 (1) Review (1) 1986MOR

(2) 59.0G3.9 247G16.4 (2) Spectroscopy (2) 1992SPA/MOR
Au–Pd 34.1G5 142.7G21 Review 1986MOR
Au–B (1) 80.7G3.8 337.8G16 MS (1) 1970MAH/PEE

(2) 87.9G2.5 367.8G10.5 (2) 1971GIN
Au–Al (1) 77.7G3.1 325G13 MS (1) 1973CUT/FAB

(2) 77.9G1.5 325.9G6.3 (2) 1973GIN/BLU
Au(111, surf.)–Al w12.9 w54 MBE 1999FIS/BRU
Au–Ga 69.3G3.6 290G15 MS 1972CAR/BER
Au–In 68.4G1.4 286.0G5.7 MS 1989BAL/NUN

Au(110, 1!2, surf.)–He 0.16 (phys) 0.69 Scattering 1980RIE/ENG
FAu–Xe w24 w100 Spectroscopy 2004COO/GER
Au–H (1) 69G3 289G13 (1) Review (1) 1970DAR

(2) 68.9G2 288.3G8.4 (2) MS (2) 1979KAN/MOO
(3) O67 O280 (3) FT-MS (3) 1987CHO/WIL
(4) 72.4G3.1 303G13 (4) Recommend (4) 1991ARM/SUN
(5) 78.4 328 (5) Review (5) 2003SCH
Au–D 77.0 322.2 Spectroscopy 1979HUB/HER
Au(surf.)–H !52 !218 Review 1979ERT
Au(110, 2!2, surf.)–H %58 %243 TPD 1986SAU/MAD
Au–F (1) 74G5 310G21 (1) Ion reactions (1) 1994SCH/HRU

(2) 70.3 294.1 (2) Spectroscopy (2) 2002OKA/NAK
Au–Cl (1) 70G15 293G63 (1) Review (1) 1970DAR

(2) 78 326 (2) FT-Spectrom. (2) 1999OBR/ELL
(3) 73.1 305.7 (3) FT-MW (3) 2000EVA/GER
(4) 67G3 280G13 (4) FT-ICR (4) 2002BRO/SCH
Au(111, surf.)–Cl w43 w180 TPD 1993KAS/KOE
Au–Br (1) 69.1 289.3 (1) FT-MW (1) 2000EVA/GER

(2) 51G5 213G21 (2) FT-ICR (2) 2002BRO/SCH
Au(100, surf.)–Br 59 247 TPD 1980BER/NET
Au–I (1) 66 276 (1) Spectroscopy (1) 2001REY/EVA

(2) 53w65 222w272 (2) FT-ICR (2) 2002BRO/SCH
(continued)
BDEs (boldfaceZ
recommended data;
Au–O (1) 54.7G3.5 228.9G14.6 (1) MS (1) 1972SMO/MAN

(2) 51.9G5 217G21 (2) Review (2) 1983PED/MAR
(3) 53.3G5 223G21 (3) Review (3) 1990SIM/BEA
Au(surf.)–O !79 !331 TPD 1994MAD/ROB
Au(100, surf.)–O 78.8 329.7 Review 2003ZEI

Au(110, surf.)–O 81.0 338.9
Au(110, 2!2, surf.)–O %75 %314 TPD 1986SAU/MAD
Au(111, surf.)–O (1) w56 w234 (1) TPD (1) 1998SAL/PAR

(2) 75.0 313.8 (2) Review (2) 2003ZEI
Au–S (1) 100G6 418G25 MS (1) 1970GIN(b)

(2) 60.6G3.5 253.6G14.6 (2) 1972SMO/MAN
Au–Se 60.0G3.5 251.0G14.6 MS 1972SMO/MAN

–Te 56.7G3.5 237.2G14.6
Au(100, surf.)–N 101.9 426.3 Review 2003ZEI

Au(110, surf.)–N 104.8 438.5
Au(111, surf.)–N 97.0 405.8
Au–Si 72.8G1.4 304.6G6.0 MS 1979GIN/HAQ
Au–Ge 65.3G3.5 273.2G14.6 MS 1972NEC/SOD

Au–Sn (1) 58.4G4 244.3G16.7 MS (1) 1962ACK/DRO

(2) 61.3G1.7 256.5G7.2 (2) 1986KIN/GIN
Au–Pb 31.9G10 133.5G42 Review 1974GUR/KAR
Au–Bi 70G2 293G8.4 Review 1974GUR/KAR
Au(2D)–H2 53 222 Laser ablation 2004AND/WAN
Au(powder)–O2 103 431 Calorimetry 1971DOB/OST
Au(110, 1!2, surf.)–O2 31.5 132 TPD 1986SAU/MAD
Au(111, surf.)–O2 (1) 30 126 TPD (1) 1998SAL/PAR

(2) 31 130 (2) 2000DAV/GOO
(3) w33 w138 (3) 2005DEN/MIN
Au–OH O62.5 O262 FT-MS 1985WEI/WIL
Au(polycs. surf.)–CO 9 38 Review 1964HAY/TRA
Au(film. surf.)–CO 13.1 54.8 Spectroscopy 1972KOT/GRE
Au(110, 1!2, surf.)–CO 10.9 46 IRAS 2003MEI/BUK
Au(110, surf.)–CO 8! 33! TDS 1987OUT/MAD(c)
Au(332, surf.)–CO 13.1 55 TPD 1996RUG/HOL
Au(surfa./TiO2)–CO 12.5–18.3 52–77 IRAS 2004MEI/GOO
(continued)
BDEs (boldfaceZ
recommended data;
Au(111, surf.)/Pd–CO 32 134 TPD 1994SEL/KOE
TiO2(110, surf.)/ 2.7G0.7 11.4G2.8 TPD 1999BON/PAR

Au–CO
Au(110, surf.)–H2O 11–12 46–50 TPRS 1987OUT/MAD(b)
Au–NH3 18.1G1.4 76G6 Derived 2004KOS/SCH
Au2–NH3 O30 O126 Kinetics 1993LIA/HAC
Au–CH3 (1) O27.1 O113 FT-MS (1) 1985WEI/WIL

(2) R45.8 R191.6 (2) 1998CHO/WIL
Au(111, surf.)–CH4 3.5G0.1 14.5G0.2 TDS 1998WET/LAV
Au(100, surf.)–CH3I 7.2G1 30.1G4 TPD/AES 1995YAN/JO
Au(110, surf.)–CH3OH 12 50 TPRS 1987OUT/MAD(b)
Au(polycr. surf.)–C2H2 21 88 Review 1964HAY/TRA
Au(110, surf.)–C2H2 w10 w42 Review 1987OUT/MAD(b)
Au(polycr. surf.)–C2H4 21 88 Review 1964HAY/TRA
Au(110, surf.)–C2H4 w10 w42 Review 1987OUT/MAD(b)

Au(111, surf.)–C2H4 6.5 27 TPD 1998WET/LAV

Au(111, surf.)–C2H6 5.8G0.1 24.1G0.2
Au(110, surf.) 13 54.4 TDS 1987OUT/MAD

–HC(O)OH
Au(211, surf.)–C2H4O 10.3 43.1 TPD 2005KIM/KOE
Au(111, surf.)–C3H4 8.2 34.2 TPD 1998WET/LAV
Au(100, surf.)–C3H6 9.4 39.3 TPD 2000DAV/GOO
Au(111, surf.)–C3H6 (1) 8.4 35.0 TPD (1) 1998WET/LAV

(2) 9.4 39.3 (2) 2000DAV/GOO
Au(111, surf.) 11.0 46.2 TPD 1998WET/LAV

–1,3-C4H6
Au(111, surf.) 9.7G0.1 40.5G0.2 TPD 1998WET/LAV

–1-C4H8
Au(111, surf.)
–t-2-C4H8 10.0 41.8 TPD 1998WET/LAV
–iso-2-C4H8 10.6 44.5

–2-Me-C3H6
Au(111, surf.)–C5H12 12.2 51.1 2000LIB/SCO
Au(111, surf.)–C6H12 9.7G0.1 40.5G0.2 TPD 1998WET/LAV

–C6H14 13.5G0.2 56.6G0.9
(continued)
BDEs (boldfaceZ
recommended data;
Au(111, surf.)–n-C7H16 18.4 77.2 Review 2005LIN/QUI
Au(111, surf.)–c-C6H12 12.1 50.6 TPD 1998WET/LAV
Au–C6H6 O70 O293 FT-ICR 1999HO/DUN
Au(111, surf.)–C6H6 (1) 13.8 57.9 TPD (1) 1998WET/LAV

(2) 13.8 57.9 (2) 2000LIB/SCO

–CH3C6H5
Au(111, surf.) 15.8 66.1 TPD 2000LIB/SCO

–CD3C6H5

–C8H18 16.8G0.1 70.1G0.3
Au(111, surf.)–c-C8H16 15.1 63.1 TPD 1998WET/LAV

–C9H20 18.2G0.2 76.2G0.7

–C10H22 19.4G0.2 81.1G0.7

Au(111, surf.)–C12H26 (1) 22.4G0.1 93.6G0.5 TPD (1) 1998WET/LAV

(2) 22.8 95.5 (2) 2000LIB/SCO
Au(surf., 111)–NP 24.4 102.2 UPS 2004FRA/PAR

NPZnaphtho[2,3-a]
pyrene
Au(111, surf.) 14.3 60 TPD 1998WET/LAV

–thiophene
Au(111, surf.)–SR w48 w203 Derived 1987NUZ/ZEG
Au(111, surf.)–CH3SH (1) 13.9 (phys.) 58 TPD (1) 1990DUB/ZEG

(2) 11.5 48 (2) 1998LAV/WET
Au(111, surf.)–C2H5SH 13.6 (phys.) 57 TPD 1998WET/LAV
Au(111, surf.)–C2H5SH (1) 30.4 127 TPD (1) 1998LAV/WET

(2) 31.1G1.2 130.3G4.8 (2) 1999LIB/SCO
Au(111, surf.) 15.3 (phys.) 64 TPD 1998LAV/WET

–2-C3H7SH
Au(111, surf.) 25.6 107 TPD 1998LAV/WET

–2-C3H7SH

–t-C4H9SH

–t-C4H9SH
Au(111, surf.)–C4H9SH 16.3 (phys.) 68 TPD 1998WET/LAV
Au(111, surf.)–C4H9SH 30.4 127 TPD 1998LAV/WET
(continued)
BDEs (boldfaceZ
recommended data;

–neo-C5H11SH
Au(111, surf.) 30.6–33.7 128–141 TPD 1998LAV/WET

–neo-C5H11SH
Au(111, surf.) 8.9 (phys.) 77 TPD 1998WET/LAV

–C6H13SH

–C6H13SH

–C8H17SH
Au(111, surf.) 29.9–35.1 125 -147 TPD 1998LAV/WET

–C8H17SH

–C9H19SH
Au(111, surf.)
–C9H19SH 30.4–36.3 127–152 TPD 1998LAV/WET
–C10H21SH 30.1–34.9 126–146
–C12H25SH 30.4 127
Au(111, surf.)
–C14H29SH 35.9 150 TPD 1998WET/LAV
–C18H37SH 37.8G2.4 158G10
Au(111, surf.)
–C22H45SH 40.4G2.4 169G10 TPD 1998LAV/WET
Au(111, surf.)–EtSEt 16.3 (phys) 68 TPD 1998LAV/WET
Au(111, surf.)–EtSEt 29.6 124 TPD 1998LAV/WET
Au(nano)
–CH2ClCH2SEt 10.5G2.2 44G9 SPRS 2005PED/DUN
–CCl2CH2SEt w11.2 w47
Au(111, surf.)–BuSBu 20.6 (phys) 86 TPD 1998LAV/WET
Au(111, surf.)–sulfides,
sulfideZ1,
4-butanedithiol 19.6 (phys) 82 TPD 1998LAV/WET
2,3-butan-edithiol 19.1 80
Au(111, surf.)–sulfides,
sulfideZ1,
4-butan-edithiol 28.0 117 TPD 1998LAV/WET
2,3-butanedithiol 25.6 107
1,6-butanedithiol 30.8–35.9 129–150
Au(polycr. surf.)–base
baseZadenine 32.5G0.5 136G2 TPD-IRAS 2005OST/LIE
guuanine 33.2G0.5 139G2
cytosine 29.2G0.5 122G2
thymine 24.9G0.5 104G2
21.3.2 AuC–X bonds

Table 21.3.2 BDEs of AuD–X Bonds
BDEs
AuC–Au (1) 53.5G4.8 223.8G20.3 (1) Spectrometry (1) 1991BIS/MOR

(2) 56.0 234.5 (2) Ion mobility (2) 2002GIB/WEI
(continued)
Table 21.3.2 (continued) BDEs of AuC–X Bonds
BDEs
AuC(Au)x–Au
xZ1
(1) 70.6 295.3 (1) Ion mobility (1) 2002GIB/WEI
2 (1) 48.2 201.6
3 (1) 63.2 264.4
4 (1) 50.0 209.4
5 (1) 64.1 268.2
6 (1) 46.4 193.9
(2) 61.1G1.8 255.7G7.7 (2) Re-analyzed (2) 2003VOG/HAN
7 (1) 69.9 292.3
(2) 84.4G2.8 353.1G11.6
8 (1) 40.1 167.9
9 (1) 70.1 293.3
(2) 98.5G3.2 412.0G13.5
10 (1) 41.7 174.6
11 (1) 58.8 246.0
(2) 103.8G2.5 434.2G10.6
12 (2) 73.3G2.5 306.8G10.6
13 (2) 81.1G3.0 339.6G12.6
14 (2) 69.2G2.8 289.4G11.6
15 (2) 77.7G2.1 325.1G8.7
16 (2) 76.1G3.0 318.4G12.6
17 (2) 86.9G3.0 363.7G12.6
18 (2) 80.5G3.2 336.7G13.5
19 (2) 87.4G3.5 365.7G14.5
20 (2) 78.9G3.0 330.0G12.6
21 (2) 86.5G2.5 361.8G10.6
22 (2) 83.7G3.0 350.2G12.6
23 (2) 87.9G6.0 367.6G25.1
AuC(Au)x–Au2
xZ0 (1) 74.7 312.6 (1) Ion mobility (1) 2002GIB/WEI
1 (1) 66.9 279.8
2 (1) 59.7 249.9
3 (1) 61.6 257.6
4 (1) 62.7 262.4
5 (1) 58.8 246.0
6 (1) 64.3 269.2
(2) 84.4G2.8 353.1G11.6 (2) PD (2) 2002VOG/HAN
7 (1) 58.1 243.1
8 (1) 58.6 245.1
(2) 98.5G3.2 412.0G13.5
9 (1) 60.2 251.8
10 (1) 48.9 204.5

(2) 103.8G2.5 434.2G10.6
12 (2) 98.9G2.8 413.9G11.6
AuC–Xe 31G3 130G13 Derived 1998SCH/SCH
AuC–Be 95.8G7 401G29 Derived from IP 2004BAL/CIO

in ref.
AuC–Al 40.7G7 170G30 Derived from IP 1996NIST

in ref.
AuC–H 34.3 143.5 Review 1990OHA/GOD
AuC–F 19 79 Review 2003SCH
AuC–I (1) O60 O251 (1) Ion reactions (1) 1995SCH/HRU

(2) 55w67 230w280 (2) FT-ICR (2) 2002BRO/SCH
AuC–B (1) 85G15 356G63 (1) Derived (1) 1974GUR/KAR

(2) 79G12 329G50 (2) Derived from IP (2) 1996NIST
in ref.
AuC–Ge 70G5.8 292G24 Derived from IP 1996NIST

in ref.
AuC–CH2 (1) R95 R397 (1) FT-MS (1) 1987CHO/WIL

(2) %88.9G0.7 %372G3 (2) PD (2) 2000AGU/HUS
(3) 92–95 385–398 (3) Review (3) 2004MET
AuC–CH3 O55.9 O234 FT-MS 1987CHO/WIL
AuC–C2H4 (1) O32.7 O137 (1) FT-MS (1) 1987CHO/WIL

(2) 69 289 (2) Review (2) 1998SCH/SCH
(3) 82.3 344.5 (3) PD (3) 2004STR/CIT
(continued)
Table 21.3.2 (continued) BDEs of AuC–X Bonds
BDEs
AuC–C3H6 (1) 70G7 293G29 (1) Derived (1) 1998SCH/SCH

(2) O75 O314 (2) GIB MS (2) 1995SCH/HRU
–C4H6 (2) O75 O314
AuC–C6H6 (1) w70 w293 (1) GIB MS (1) 1995SCH/HRU

(2) 69G7 289G29 (2) Derived (2) 1998SCH/SCH
(3) O70 O293 (3) FT-ICR (3) 1999HO/DUN
(4) 61.1 256 (4) FT-MS (4) 2000SCH/BRO
–C6F5H (3) 31.0 129.7
–C6F6 (2) 34G3 142G13
AuC(H2O)x–H2O
(2) 39.2G2.3 164.0G9.6 (2) CID (2) 2001POI/PRA
1 (2) 46.1G4.6 193.0G19.3
AuC–CO 48G2 201G8 Derived 1998SCH/SCH
AuC(Au)x–CO
xZ4 23.8G2.3 99.4G9.6 FT-ICR 2005NEU/WEI
5 25.1G2.3 105.2G9.6
6 24.7G2.3 103.2G9.6
7 20.5G2.3 85.9G9.6
8 19.6G2.3 82.0G9.6
9 20.8G2.3 86.8G9.6
10 20.8G2.3 86.8G9.6
11 20.1G2.3 83.9G9.6
12 19.8G2.3 83.0G9.6
13 19.8G2.3 83.0G9.6
14 20.3G2.3 84.9G9.6
15 19.8G2.3 83.0G9.6
16 18.4G2.3 77.2G9.6
17 19.6G2.3 82.0G9.6
18 19.4G2.3 81.0G9.6
19 18.0G2.3 75.3G9.6
20 18.7G2.3 78.2G9.6
21 16.4G2.3 68.2G9.6
22 15.2G2.3 63.7G9.6
23 16.1G2.3 67.5G9.6
24 16.1G2.3 67.5G9.6
25–28 !15.0 !62.7

29 16.8G2.3 70.4G9.6
30 17.3G2.3 72.4G9.6
31 15.9G2.3 66.6G9.6
32–39 !15.0 !62.7
40 15.0G2.3 62.7G9.6
41–46 !15.0 !62.7
47 17.1G2.3 71.4G9.6
48 17.1G2.3 71.4G9.6
49–64 !15.0 !62.7
AuC–H2S 55G6 230G25 Derived 1998SCH/SCH

–NH3 71G7 297G29
–PH3 96G8 402G33
AuC–CH3CN 68G7 285G29 Derived 1998SCH/SCH

–CH3NC 71G7 297G29
–CH3SCH3 80G8 335G33
AuC
8 –MeOH 8.1 33.8 PD 2002VOG/HAN
21.3.3 AuK–X bonds

Table 21.3.3 BDEs of AuL–X Bonds
BDEs
AuK–Au (1) 45.2G3.5 189.0G14.5 (1) PES (1) 1990HO/ERV

(2) 44.7 187.0 (2) Derived (2) 1996SMI/YAT
(3) %77.3 %323 (3) CID (3) 2000SPA/SHI
AuK(Au)x–Au
xZ1 (1) %91.3 %382 (1) CID (1) 2000SPA/SHI
2 (1) %50.7 %212
3 (1) %60.4 %253
4 (1) %62.5 261
(2) 51.1 214 (2) TRPD (2) 2000SPA/SHI
5 (1) %64.8 271
(2) 64.3 269
(continued)
Table 21.3.3 (continued) BDEs of AuK–X Bonds
BDEs
AuK(Au)x–Au
xZ13 (1) 59.2 248 (1) PD (1) 2006HER/SCH
16 (1) 87.6 367
AuK–Ag 25.6G3.6 107G15 Derived from EA 1996NIST

in ref.
AuK–O 54.8G5 229.3G21 Derived from EA 2005ICH/GIA

–S 103.6G6 433.4G25 in ref.
AuK–C6F6 24G4 100G17 FT-ICR 1999HO/DUN
AuK(Au)–CO 21.0 87.8 PES 2002LUT/PON

chapter twenty-two
BDEs of Zn(ZnC)–, Cd(CdC)–,

and Hg(HgC)–X bonds
22.1 Zn– and ZnC– X bonds

22.1.1 Zn–X bonds
Table 22.1.1 BDEs of Zn–X Bonds
BDEs (boldfaceZ
recommended data;
Zn–Zn (1) 4.8G0.6 19.9G2.5 (1) Viscosity (1) 1964CAR/KUS

(2) 5.3G1.5 22.2G6.3 (2) Review (2) 1974GUR/KAR
(3) 5.3 22.2 (3) Review (3) 1979MIE/GIN
(4) 2.2 9.1 (4) Spectroscopy (4) 1984SU/LIA
(5) 1.7 7.0 (5) Review (5) 1996SMI/YAT
Zn–Hg 1.8 7.3 Spectroscopy 1992SUP/KED
Zn–K 1.6 6.5 Spectroscopy 1984CZU/REB
Zn–In 7.7 32.2 Review 1967DRO/GOL
Zn–Ne (1) 0.95 3.96 (1) Spectroscopy (1) 1999MCC/BEL

(2) 0.94 3.92 (2) Spectroscopy (2) 2000KOP/CZA
(continued)
1027
Table 22.1.1 (continued) BDEs of Zn–X Bonds
BDEs (boldfaceZ
recommended data;
Zn–Ar (1) 1.8 7.4 (1) Spectroscopy (1) 1990BEN/BRE

(2) 1.2 5.0 (2) Review (2) 1994CZA/KRA
Zn(surf.)–Ar 1.6 6.6 Calorimetry 1962CHO/FIS
Zn–Kr 1.2 5.0 Spectroscopy 1992WAL/RYT
Zn–H 20.5G0.5 85.8G2 Spectroscopy 1979HUB/HER

–D 21.2 88.7
HZn–H 76.1 at 0 K 318.4 Derived 2005SHA/YU
Zn(surf.)–H 25.8–27.4 108–115 Electrochemical 1996CHA/RIN
Zn(polycs. surf.)–H 33–37 138–155 Electrochemical 1970KRI
p-InP(solid)/Zn–H 27.7G2.3 115.8G9.6 Kinetics 1992PEA/HOB
[ZnO(0001, surf.)/Zn]–H 23.7 99 LEED 2002BEC/HOV
[ZnO(0001, surf.)/O]–H 39.0 163 LEED 2003KUN/BUR
Zn–F 87G15 364G63 Review 1974GUR/KAR
Zn(Cl)x–Cl
xZ0 (1) 54.7G0.7 228.7G2.9 (1) Spectroscopy (1) 1967COR/LYN
BDEs of Zn(ZnC)–, Cd(CdC)–, and Hg(HgC)–X Bonds 1029
(2) 54.7G2 229G8 (2) MS (2) 1999HIL/LAU

1 (3) 87G5 364G21 (3) Derived from (3) 2002CRC
DfH0 in ref.
Zn–Br 33G7 138G29 Review 1974GUR/KAR
Zn–I (1) 26.2G0.4 109.7G1.7 (1) Spectroscopy (1) 1992JOR/LIP

(2) 36.6G1.5 153.1G6.3 (2) Equilibrium (2) 2003HIL/LAU(b)
Zn–O (1) 66.9 280.1 (1) Derived (1) 1982GRA/HIR

(2) !63.8G10 !267G42 (2) Review (2) 1983PED/MAR
(3) 38.0G0.9 159.0G3.8 (3) GIB MS (3) 1991CLE/DAL
(4) %54 %226 (4) HT MS (4) 1993WAT/THI
(5) %59.8 %250 (5) MS (5) 2003MAK/ZBE
Zn–S 53.7G3 224.8G12.6 Derived 1982GRA/HIR

–Se 40.8G6.2 170.7G25.9
–Te 28.1G4.3 117.6G18.0
Zn(1000, surf.)–H2 18 75.3 XPS 1985CHA/GRI
ZnO(powder)–H2 12.6G1 52.7G4 TPD 1982GRI/YAT
ZnO(polycs. surf.)–O2 110 460 Review 1964HAY/TRA
ZnO(polycs. surf.)–CO (1) 9–13 38–54 (1) Review (1) 1964HAY/TRA

(2) 12.2 51.0 (2) Combined (2) 1982GRI/YAT(b)
ZnO(1010, surf.)–CO 12 50 PES 1993SOL/JON
ZnO(1000, surf.)/Zn/H–CO2 8.7 36.2 Mol. beam 2005WAN/BUR
(continued)
Table 22.1.1 (continued) BDEs of Zn–X Bonds
BDEs (boldfaceZ
recommended data;
ZnO(1000, surf.)/Zn–CO2 8.2 (pristine) 34.4 TDS 2005WAN/HOK
ZnO(1000, surf.)/Zn–CO2 10.4 (defected) 43.6 TDS 2005WAN/HOK
Zn(CH3)x–CH3
xZ0 (1) 22 92 (1) Review (1) 1983SMI/PAT
(2) 19.4G3.2 81.2G13.4 (2) Ion beam (2) 1986GEO/ARM
(3) 24.5G4.0 102.5G16.7 (3) Kinetics (3) 1989JAC
(4) 16.7G2.3 70G10 (4) Review (4) 1996ARM/KIC
(5) 20.8G4 86.9G17 (5) Derived from (5) 1996NIST
DfH0 in ref.
1 (1) 66 276
(2) 69.4G3.2 290G14
(3) 63.7G1.5 266.5G6.3
(5) 67.4G4 282G17
ZnO-Zn(0001, surf.)–H2CO 32 133.9 Re-analysis 2001MAD/IDR
ZnO(polycs. surf.)–C2H4 25.2 105 Review 1964HAY/TRA
Zn(C2H5)x–C2H5
xZ0 (1) 16 67 (1) Review (1) 1983SMI/PAT
(2) 22.0G4.2 92.0G17.6 (2) Kinetics (2) 1989JAC
DfH0 in ref.
1 (1) 55 230
(2) 52.4G2.0 219.2G8.4
(3) 56.2G4.2 235.1G17.6
Zn(C3H7)x–C3H7
xZ0 22.0G4.2 92.0G17.6 Review 1993ZHA/JAC
1 52.4G2.0 219.2G8.4
ZnO(0001, surf.)/Zn– 26.8 112 TDS 2000HOV/KOL

pyridine
22.1.2 ZnC–X bonds

Table 22.1.2 BDEs of ZnD–X Bonds
BDEs (boldfaceZ
recommended data;
ZnC–Zn (1) 13.8G4.6 57.7G19.3 (1) FT-MS (1) 1988BUC/GOR(b)

(2) 10.6 44.2 (2) Review (2) 1996SMI/YAT
(3) 14.4G4.6 60G19.3 (3) Der. from (3) 1996NIST
IP in ref.
ZnC–Ar (1) 8.3 34.8 (1) GDMS (1) 1995BAR/SMI

(2) 6.8G0.3 28.7G1.2 (2) R2PI (2) 1999LEU/BEL
ZnC–H (1) 54.4G3 228G13 GIB MS (1) 1988GEO/ARM

(2) 51.7G3.7 216G15 (2) 1995KIC/ARM
ZnC(H2)x–H2
xZ0 3.8G0.4, 15.7G1.7 Equilibrium 1997WEI/KEM
at 0 K
1 2.8G0.4 11.5G1.7
2 2.4G0.4 9.8G1.7
3 1.6G0.4 6.7G1.7
4 1.5G0.4 6.3G1.7
5 w1.4 w5.9
ZnC(CH3)x–CH3
xZ0 (1) 70.6G3.2 295G14 (1) Ion beam (1) 1986GEO/ARM
(2) 66.9G1.6 280G7 (2) Review (2) 1996ARM/KIC
1 (3) 27.5G1 115G4 (3) Review (3) 1990SIM/BEA
ZnC–O (1) 25–40 105–167 (1) ICR (1) 1981KAP/STA

(2) 38.5G1.2 161.1G4.8 (2) GIB MS (2) 1991CLE/DAL
ZnC–OH 30.4 127.2 TQ MS 1989MAG/DAV(b)
(continued)
Table 22.1.2 (continued) BDEs of ZnC–X Bonds
BDEs (boldfaceZ
recommended data;
ZnC–H2O (1) 39.0 163.2 (1) TQ MS (1) 1989MAG/DAV(b)

(2) 39.0 163 (2) ES MS (2) 2000VUK/STO
ZnC–NO 18.2G2.3 76.2G9.6 CID 1991CLE/ARM
ZnC–pyridine 59.3G1.6 248.1G6.9 CID 2002ROD/STA
ZnC–pyrimidine 50.1G1.8 209.6G7.7 CID 2001AMU/ROD
ZnC–adenine R57.9G1.5 R242.2G6.4 CID 2002ROD/ARM
ZnC–imidazole 60.3G2.3 252.5G9.7 CID 2004RAN/AMU
ZnC–Si 65.5G2.3 274.1G9.6 GIB MS 1995KIC/ARM

–SiH 77.7G2.5 325.1G10.5
–SiH2 38.0G2.1 159.0G8.8
–SiH3 71.7G3.5 300.0G14.6
ZnC–S 47.3G2.8 198G12 GIB MS 2002RUE/ARM
ZnC–CS (1) 33.7G2.2 141G9 GIB MS (1) 2000ROD/ARM(b)

(2) 35.5G5.5 149G23 (2) 2002RUE/ARM
[OT-Zn]C(H2O)x–H2O
xZ0 9.6G0.3 40.2G1.3 ES MS 2005LIU/SEU
1 8.6G0.3 36.0G1.3
OTZoxytocin
Zn2C(L)x–L, LZ
MeCOMe
xZ5 17.4 72.8 ES MS 2000PES/BLA
6 14.4 60.2
Zn2C(L)x–L
LZN-methylacetamide
xZ4 25.1 105.0 ES MS 2000PES/BLA
5 22.9 95.8
6 20.8 87.0
22.2 Cd– and CdC–X bonds

22.2.1 Cd–X bonds
Table 22.2.1 BDEs of Cd–X Bonds
BDEs (boldfaceZ
recommended data;
Cd–Cd (1) 3.1G0.2 12.9G0.8 (1) Viscosity (1) 1964CAR/KUS

(2) 2.9 12.2 (2) Review (2) 1979MIE/GIN
(4) 1.76 7.36 (4) Spectroscopy (4) 1985KOW/CZA
(5) w2.06 w8.62 (5) Spectroscopy (5) 1986BOU
Cd–Ne 0.95 3.97 Spectroscopy 1994CZA/KRA
Cd–Ar (1) 1.2 5.0 (1) Review (1) 1994CZA/KRA

(2) 1.33G0.01 5.57G0.05 (2) Spectroscopy (2) 2002KOP/LUK
Cd–Kr (1) 1.26G0.03 5.27G0.12 Spectroscopy (1) 1986BOU

(2) 1.26 5.26 (2) 1988WAL/BEN
(3) 1.19 4.98 (3) 1991CZA/BOB
(4) 1.23 5.17 (4) 1992WAL/RYT
(continued)
Table 22.2.1 (continued) BDEs of Cd–X Bonds
BDEs (boldfaceZ
recommended data;
Cd–Xe (1) 1.39 5.82 Spectroscopy (1) 1989FUN/BRE

(2) 1.56 6.54 (2) 1994CZA/KRA
Cd–Na 2.4 10.2 Spectroscopy 1973ZOL
Cd–K 1.7 7.3 Spectroscopy 1984CZU/REB
Cd–B 71.9 301.0 MS 1979HUB/HER
Cd–In 32 134 Review 1974GUR/KAR
Cd–H 16.5G0.1 69.0G0.4 Review 1990SIM/BEA
HCd–H 70.7 at 0 K 295.8 Derived 2005SHA/YU
Cd(polycs. surf.)–H 28–29 117–121 Electrochemical 1970KRI
GaAs(solid)Cd–H 31.1G2.3 130.3G9.6 PACS 1991PFE/DEI
p-InP(solid)Cd–H 32.3G2.3 135.1G9.6 Kinetics 1992PEA/HOB
Cd–F 73G5 305G21 MS 1965BES/KAN
Cd–Cl 49.8 208.4 MS 1979HUB/HER

Cd–Br 38G23 159G96 Review 1968GAY
Cd–I (1) 33G5 138G21 (1) Review (1) 1974GUR/KAR

(2) 23.2G0.5 97.2G2.1 (2) Spectroscopy (2) 1992JOR/LIP
Cd–O (1) 55.0 230.3 (1) Derived (1) 1982GRA/HIR

(2) 56.4G20 236G84 (2) Review (2) 1990SIM/BEA
Cd–S 49.8G5 208.5G20.9 Derived 1982GRA/HIR

–Se 30.5G6 127.6G25.1
–Te 23.9G3.6 100.0G15.1
Cd(CH3)x–CH3
xZ0 (1) 13 54 (1) Review (1) 1983SMI/PAT
(2) 15.2G2.4 63.6G10.0 (2) Kinetics (2) 1989JAC
DfH0 in ref.
1 (1) 58 243
(2) 56.0G1.5 234.3G6.3
(3) 60G4 250G17
22.2.2 CdC–X bonds

Table 22.2.2 BDEs of CdD–X Bonds
BDEs (boldfaceZ
recommended data;
CdC–Cd 29.3G2.4 122.5G10 Derived from IP 1996NIST

in ref.
CdC–H (1) 48.5 203 Review (1) 1985SKI/CON

(2) 42.9 179.5 (2) 1990OHA/GOD
(continued)
Table 22.2.2 (continued) BDEs of CdC–X Bonds
BDEs (boldfaceZ
recommended data;
CdC(CH3)x–CH3
xZ0 (1) 54 226 Review (1) 1985SKI/CON
(2) 54.5G0.7 228G3 (2) 1990SIM/BEA
1 (2) 26.1G0.7 109G3
CdC–C6H6 32.5G4.6 136G19 Kinetics 1997HO/YAN
22.3 Hg– and HgC–X bonds

22.3.1 Hg–X bonds
Table 22.3.1 BDEs of Hg–X Bonds
BDEs (boldfaceZ
recommended data;
Hg–Hg (1) 2.7G0.5 11.3G2 (1) Review (1) 1974GUR/KAR

(2) 2G0.5 8G2 (2) MS (2) 1982HIL
(4) 1.88G0.06 7.85G0.24 (4) Spectroscopy (4) 1987ZEH
(5) 1.94G0.04 8.10G0.18 (5) Spectroscopy (5) 1994KOP/ATK
Hg–Zn 1.8 7.3 Spectroscopy 1992SUP/KED
Hg–Li (1) 3.3 13.8 (1) Review (1) 1979HUB/HER

(2) 3.14G0.09 13.16G0.38 (2) Spectroscopy (2) 1995GRU/LI
Hg–Na (1) 2.5 10.5 (1) Spectrometry (1) 1973ZOL

(2) 2.6 10.8 (2) Scattering (2) 1982HUN/MAI
Hg–K (1) 2 8.4 (1) Review (1) 1974GUR/KAR

(3) 2.1 8.8 (3) Scattering (3) 1986LAC/MAI
Hg–Rb 2 8.4 Review 1979HUB/HER
Hg–Cs 2 8 Derived 1973LIT/SPA
Hg–He (1) 1.58 6.61 (1) Review (1) 1974GUR/KAR

(2) 0.9 3.8 (2) Spectroscopy (2) 1988YAM/ISO
Hg–Ne (1) 1.0 4.2 Spectroscopy (1) 1988YAM/ISO

(2) 1.09 4.56 (2) 1995OND/YAM
(3) 0.99 4.14 (3) 1997TAS/OND
Hg–Ar (1) 1.26 5.29 Spectroscopy (1) 1988YAM/ISO

(2) O2.3 O9.7 (2) 1990OHS/LID
(3) 1.24 5.20 (3) 1997TAS/IND
(4) 1.27 5.32 (4) 2002KOP/CZA
Hg–Kr (1) 1.4 5.8 (1) FIL (1) 1987KAY/FUK

(2) 2.69 11.2 (2) Review (2) 1999GIL/TRA
(3) 1.37 5.75 (3) Spectroscopy (3) 2001KOP/ATK
Hg–Xe 1.59 6.65 LIF 1986YAM/FUK
Hg–H 9.523 39.844 Spectroscopy 1979HUB/HER

–D 10.05 42.05
–T 10.31 43.14
HHg–H 73.9 at 0 K 309.2 Derived 2005SHA/YU
Hg(polycs. surf.)–H 29 121 Electrochemical 1970KRI
(continued)
Table 22.3.1 (continued) BDEs of Hg–X Bonds
BDEs (boldfaceZ
recommended data;
Hg–F (1) w43 w180 (1) Spectroscopy (1) 1979HUB/HER

FHg–F (2) 90.9 380.3 (2) Derived from (2) 1996NIST
DfH0 in ref.
Hg–Cl (1) 24G2 100G8 (1) Spectroscopy (1) 1968GAY

(2) 22.0G2.2 92.0G9.2 (2) PI (2) 1983LIN/BRO
ClHg–Cl (3) 82.7 346.0 (3) Derived from (3) 1996NIST
DfH0 in ref.
Hg–Br (1) 17.9 74.9 (1) Spectroscopy (1) 1993LIP/JOR

BrHg–Br (2) 72.0 301 (2) Derived from (2) 1996NIST
DfH0 in ref.
Hg–I (1) 8.29G0.23 34.69G0.96 (1) Spectroscopy (1) 1993JOR/BAS

IHg–I (2) 61.3 256.3 (2) Derived from (2) 1996NIST
DfH0 in ref.
Hg–O (1) 52.8 221.1 (1) Derived (1) 1982GRA/HIR

(2) 50.9 213 (2) Review (2) 1990SIM/BEA
DfH0 in ref.
Hg–S 51.9G5.3 217.3G22.2 Derived 1982GRA/HIR
Hg–Se 34.5G7.2 144.3G30.1 Derived 1982GRA/HIR
Hg–Te %34 %142 Review 1974GUR/KAR
Hg–Tl (1) 1 4 Est. by exp. (1) 1950HER

(2) 0.7 2.9 (2) 1973LIT/SPA
Hg(CH3)x–CH3
xZ0 (1) 2G2 8G8 (1) Kinetics (1) 1969KOM/PRI
(2) 3 13 (2) Review (2) 1983SMI/PAT
(3) 5.4G3.0 22.6G12.6 (3) Kinetics (3) 1989JAC
DfH0 in ref.
1 (1) %57.5 %241
(2) 59 247
(3) 57.2G1.5 239.3G6.3
(4) 60.4G5 252.7G21
ClHg–CH3 67.0G3 280.0G12.6 Derived from 1996NIST

BrHg–CH3 64.5G9 270G38 DfH0 in ref.
IHg–CH3 61.8G3 258.6G12.6
ClHg–C2H5 63.3G3 264.8G12.6 Derived from 1996NIST

BrHg–C2H5 60.5G9 253G38 DfH0 in ref.
IHg–C2H5 56.9G3 238.1G12.6
Hg(C2H5)x–C2H5
xZ0 (1) 6.5 27.2 (1) Pyrolysis (1) 1971LAL/PRI
(2) 3 13 (2) Review (2) 1983SMI/PAT
DfH0 in ref.
1 (1) 43.7 182.8
(2) 48 201
(3) 44.9G10 188G42
22.3.2 HgC–X bonds

Table 22.3.2 BDEs of HgD–X Bonds
BDEs (boldfaceZ
recommended data;
HgC–Hg (1) 32.7G0.5 137.0G1.9 (1) PI (1) 1984LIN/LIA

(2) 32 134 (2) EI (2) 1990HAB/KOR
(3) 23 96 (3) Review (3) 1996SMI/YAT
(continued)
Table 22.3.2 (continued) BDEs of HgC–X Bonds
BDEs (boldfaceZ
recommended data;
HgC(Hg)x–Hg
xZ4 (1) 4.6 19.2 (1) EI (1) 1990HAB/KOR
5 (1) 5.3 22.2
6 (1) 4.8 20.1
7 (1) 4.8 20.1
8 (1) 4.8 20.1
9 (1) 4.8 20.1
10 (1) 5.3 22.2
11 (1) 6.2 25.9
12 (1) 6.5 27.2
13 (1) 6.7 28.0
14 (1) 6.9 28.9
15 (1) 7.1 29.7
16 (1) 7.8 32.6
17 (1) 8.3 34.7
18 (1) 8.8 36.8
19 (1) 9.7 40.6
20 (1) 10.2 42.7
21 (1) 10.6 44.4
22 (1) 11.1 46.4
23 (1) 11.3 47.3
HgC–Ar (1) 4.7G0.4 19.5G1.6 PI (1) 1972BRI

(2) 5.3G0.3 22.2G1.2 (2) 1985LIN/BRO
HgC–Kr 9.1G0.3 37.9G1.3 PI 1986LIA/NG
HgC–Xe 17.2G0.3 72.2G1.3 PI 1986LIA/NG
HgC–H (1) 69 289 Review (1) 1985SKI/CON

(2) 49.5 207 (2) 1990OHA/GOD
HgC(CH3)x–CH3
xZ0 (1) 70 293 Review (1) 1985SKI/CON
(2) 68G0.7 285G3 (2) 1990SIM/BEA
1 (2) 22.9G0.7 96G3
chapter twenty-three
BDEs of B(BG)–, Al(AlG)–, Ga(GaG)–,

In(InG)–, and Tl(TlG)–X bonds
23.1 B–, BC–, and BK–X bonds

23.1.1 B–X bonds
Table 23.1.1 BDEs of B–X Bonds
BDEs (boldfaceZ
recommended data;
B–B (1) 65.5 274 (1) Review (1) 1996SMI/YAT

DfH0 in ref.
F2B–BF2 (2) 78.9 330
Cl2B–BCl2 (2) 60.2 252
(OB)–BO 110G10 460G42 Review 1967DRO/GOL
BH3–BH3 (1) %38.3 %160.2 (1) Re-anal. (1) 1964GAR/BEN

(2) 36G3 150.6G12.6 (2) Pyrolysis (2) 1969FEH/MAP
DfH0 in ref.
B–Sc 65G15 272G63 Review 1974GUR/KAR

–Y 69G15 289G63
(continued)
1041
Table 23.1.1 (continued) BDEs of B–X Bonds
BDEs (boldfaceZ
recommended data;
–La 80G15 335G63
B–Ce 72.9G5 305G21 MS 1970GIN
B–Th 71G8 297G33 MS 1969GIN
B–U 77G8 322G33 MS 1970GIN
B–Ti 65G15 272G63 Review 1974GUR/KAR
B–Ru 106.8G5 446.9G21 MS 1970MAH/PEE
B–Rh 113.7G5 475.8G21 MS 1970MAH/PEE

–Ir 122.4G4 512.2G17
B–Pd (1) 78.6G5 329.0G21 (1) MS (1) 1970MAH/PEE

(2) 84G4 351.5G16.7 (2) Review (2) 1974GUR/KAR
B–Pt 114.2G4 477.8G16.7 MS 1968MCL/MAH
B–Au (1) 80.7G3.8 337.8G16 MS (1) 1970MAH/PEE

(2) 87.9G2.5 367.8G10.5 (2) 1971GIN
B–Cd 71.9 301.0 MS 1979HUB/HER
B–Ne 0.95 3.97 LIF 1996YAN/HWA

BDEs of B(BG)–, Al(AlG)–, Ga(GaG)–, In(InG)–, and Tl(TlG)–X Bonds 1043
B–Ar (1) 1.18 4.94 Spectroscopy (1) 1997YAN/DAG

(2) 1.10 4.62 (2) 1998STA/KNI
BN(surf.)–Ar (1) 2.1 9.0 (1) Adsorption (1) 1958ROS/PUL

(2) 2.0 8.2 (2) Adsorption (2) 1962PIE
(3) 2.1 8.6 (3) Virial anal. (3) 1979LEV/RYB
(4) 2.1G0.1 8.7G0.5 (4) Review (4) 1991VID/IHM
BN(surf.)–Kr (1) 2.6 10.9 (1) Virial anal. (1) 1979LEV/RYB

(2) 2.5 10.5 (2) Review (2) 1991VID/IHM
BN(surf.)–Xe (1) 3.3 13.7 (1) Virial anal. (1) 1979LEV/RYB

(2) 3.4 14.2 (2) Review (2) 1991VID/IHM
B(H)x–H
xZ0 (1) 83.9 351.2 (1) Derived (1) 1973LIT/SPA
(2) 81.3 340 (2) Spectroscopy (2) 1988PIA/OBR
(3) 82.5G0.6 345.2G2.5 (3) Review (3) 1990BAU/LAN
1 (1) 89.9 376.3
DfHo in ref.
2 (1) 82.6 345.4
(4) 74.6 312
B–D (5) 81.5G1.5 341.0G6.3 (5) Review (5) 1974GUR/KAR
B(O)–H 99.5 416 Derived from 1998CHA

DfH0 in ref.
B(O)O–H 118 494 Derived from 1996NIST

B(S)–H 98.2 411 DfH0 in ref.
F2B–H 86.5 362 Derived from 1996NIST

DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
Si(solid)B–H 29.5G0.7 123.5G2.9 Kinetics 1989ZUN/WEB
B2H5–H %102.7 %429.7 PIMS 1989RUS/SCH
B(F)x–F
xZ0 (1) 181 757 (1) MS (1) 1980LAU/HIL
(2) 181.0G0.2 757.4G0.8 (2) Revised (2) 1998MAR/TAY
(3) 175 732 (3) Review (3) 2001HIL/LAU
1 (3) 136 569
DfH0 in ref.
2 (3) 150 628
(4) 149.4 625
B(H)x–F
2 144.4G6 604G25 DfH0 in ref.
(OB)–F 163 682 Derived from 1998CHA

DfH0 in ref.
B(F)(O)–F 75 314 Derived from 1996NIST

DfH0 in ref.
B(Cl)x–Cl
xZ0 (1) 122.2G1.1 511.3G4.6 (1) MS (1) 1996HIL
DfH0 in ref.
(3) 102 427 (3) Derived (3) 2001HIL/LAU
1 (2) 81.8 342
(3) 93 389
2 (2) 106.3 445
(3) 110 460
B(O)–Cl 104.6 438 Derived from 1998CHA

–Br 86.7 363 DfH0 in ref.
B(Br)x–Br
xZ0 (1) 94.6 396 (1) Spectroscopy (1) 1991BHA/BHA
DfH0 in ref.
(3) 93.4G0.1 390.9G0.5 (3) Spectroscopy (3) 1998HUN/FAN
1 (2) 67.7 283
2 (2) 89.7 375
B(I)x–I
1 40.5 170 DfH0 in ref.
2 66.5 278
B(X)–O
XZF 175.9 736 Derived from 1996NIST
Cl 169 707 DfH0 in ref.
Br 176.6 739
B(O)x–O
xZ0 (1) 192.7G1.2 806.3G4.9 (1) MS (1) 1970UY/DRO
(2) 193.4 809 (2) Derived from (2) 1998CHA
DfH0 in ref.
1 (2) 127.6 534
B(F)2–O 118.6 496 Derived from 1996NIST

DfH0 in ref.
(HB)–O 212.8 890 Derived from 1996NIST

DfH0 in ref.
HOB–O 146.2 611.5 Derived from 1996NIST

DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
OBB–O 191.6 801.5

OBOB–O 150.4 629.1
B(OH)x–OH
xZ0 (1) 144.3G7 604G30 Derived from (1) 1996GUR/VEY
1 (2) 121.3G7 508G30 DfH0 in ref. (2) 1998CHA
2 (2) 132.1G7 553G30
B(O)–OH 142.9 598 Derived from 1998CHA

B(O)–OBO 131.4 550 DfH0 in ref.
B–O(B)x
xZ0 (1) 191G3 799G13 Derived from (1) 1996GUR/VEY
DfH0 in ref.
1 (2) 113G15 473G63 (2) 1998CHA
B(H)x–S
xZ0 (1) 143 598 (1) MS (1) 1970GIN(b)
(2) 137.9G2.2 577G9.2 (2) MS (2) 1970UY/DRO
1 (3) 160 669 (3) Derived from (3) 1996NIST
DfH0 in ref.
B(O)–OCH3 115G26 481G109 Derived from 1987HET/COL

DfH0 in ref.
BH3–S(CH3)2 25.9 108.4 Derived 1998REN/WOR
B–Se 110.4G3.5 462G14.6 MS 1970UY/DRO

–Te 84.7G4.8 354G20
B–N (1) 93G5 389G21 (1) Review (1) 1970DAR

B–P 82.9G4 347G16.7 MS 1972GIN
BN(surf.)–N2 2.2 9.2 Adsorption 1958ROS/PUL
H3B–NH3 (1) 31.1G1.0 130.1G4.2 Derived (1) 1989HAA

–NH2(CH3) (1) 35.0G0.8 146.4G3.3
–NH(CH3)2 (1) 36.4G1.0 152.3G4.2
–N(CH3)3 (1) 34.8G0.5 145.6G2.1
(2) 38.3 160.2 (2) 2001FRO/FRE
(CH3)3B–NH3 13.8G0.3 57.7G1.3 Re-anal. 1989HAA

–NH2(CH3) 17.6G0.2 73.6G0.8
–NH(CH3)2 19.3G0.2 80.8G0.8
–N(CH3)3 17.6G0.2 73.6G0.8
(CH3)3B–(cyclo- 17.6 73.6 Equilibrium 1956BRO

CH2CH2N)H
–(cyclo- 22.5 94.1
CH2CH2CH2N)H
–NH2(C2H5) 18.0 75.3
–NH(C2H5)2 16.3 68.2
–N(C2H5)3 10 42
F3B–N(CH3)3 (1) 27 113 (1) Review (1) 1989HAA

(2) 31.0G1.1 130G4.6 (2) Re-anal. (2) 2001FRO/FRE
–P(CH3)3 (1) 19 79
–O(CH3)2 (1) 13 54
–S(CH3)2 (1) 4 17
Cl3B–N(CH3)3 30.5 127.6 Re-anal. 2001FRO/FRE
B(CH3)3–PH(CH3)2 11.4 47.7 Equilibrium 1956BRO

–P(CH3)3 16.5 69.0
BF3–PH(CH3)2 14.7 61.5
(continued)
BDEs (boldfaceZ
recommended data;
B–C 107G7 448G29 MS 1964VER/STA
B–Si (1) 68 285 MS (1) 1964VER/STA

(2) 75.8G2.7 317G12 (2) 1996VIS/SCH
H3B–CO 24.6 102.9 Derived 2001FRO/FRE
H2B–CH3 4.1G6 17G25 Derived from 1987HET/COL

DfH0 in ref.
F2B–CH3 (1) w113 w472 (1) Pyrolysis (1) 1965SKI

(2) 95–100 397–418 (2) Review (2) 1973LIT/SPA
F2B–C2H3 101 423 Review 1973LIT/SPA

–C3H7 96 402
–CHCH2 111 464
F3B–CH3CN 12.0G0.8 50.2G3.3 Re-anal. 2001FRO/FRE

–PhCHO 15.5G1.0 64.9G4.2
–Me2O 17.6G0.8 73.6G3.3
Cl2B–C6H5 w122 w510 Pyrolysis 1972JON/PRI
Cl3B–CH3CHCHCHO 24.4G0.3 102.1G1.3 Calorimetry 1982CHI/MUL

–CH3CHCHC 19.9G0.4 83.3G1.7
(O)OCH3
–CH3C(CH3) 25.4G0.3 106.3G1.3
CHCHO
–CH3CHCHCN 19.2G0.2 80.3G0.8
23.1.2. BC–X bonds

Table 23.1.2 BDEs of BD–X Bonds
BDEs (boldfaceZ
recommended data;
BC(B)x–B
xZ0 (1) 18G14 75G59 (1) CID (1) 1988HAN/WHI
(2) 44.7 187 (2) Derived (2) 1996SMI/YAT
1 (1) 99G16 414G67
2 (1) 185G35 774G146
3 (1) 164G14 686G59
4 (1) 62G14 259G59
5 (1) 127G16 531G67
6 (1) 97G12 406G50
7 (1) 92G12 385G50
8 (1) 125G12 523G50
9 (1) 129G18 540G75
10 (1) 127G12 531G50
11 (1) 184G35 770G146
BC–Pt 75G23.4 314G98 Derived from 1996NIST

IP in ref.
BC–Ar 7.8 32.7 MS 1978DIN/KAR
BC(H)x–H
xZ0 (1) 50.0 209 (1) Derived (1) 1973LIT/SPA
IP in ref.
1 (1) 99.2 415
2 (1) 14.5 61
BC–F (1) 116G4 485G17 (1) Derived (1) 1974GUR/KAR

IP in ref.
(continued)
Table 23.1.2 (continued) BDEs of BC–X Bonds
BDEs (boldfaceZ
recommended data;
BC–Cl (1) 81.4G2.6 340.6G10.9 (1) MS (1) 1996HIL

IP in ref.
Cl2BC–Cl 19.69G0.05 82.40G0.19 PFI-PE 2005YAN/MO
BC–Br 39.3G5 164G21 Derived from 1996NIST

IP in ref.
BC(H2)x–H2
xZ0 3.8G0.2, 15.9G0.8 Equilibrium 1998KEM/BUS
at 0 K
1 3.0G0.3 12.6G1.3
HBC(H2)x–H2
xZ0 14.7G0.5, at 61.5G2.1 Equilibrium 1998KEM/BUS
0K
1 18.1G0.5 75.7G2.1
BC–O (1) 72G12 301G50 (1) Derived (1) 1974GUR/KAR

IP in ref.
BC(B)x–O
xZ1 O150 O627 CID 1991RUA/HIN
2 O138 O579
3 O125.7 O526
4 O125.7 O526
5 O125.7 O526
6 O125.7 O526
7 O125.7 O526
8 O125.7 O526
9 w125 w521
10 w125 w521
11 w120 w502
12 w101 w425
13 w120 w502
BC–Se 71G23.4 298G98 Derived from 1996NIST

IP in ref.
BC–C (1) 55G5 230G105 (1) Derived (1) 1974GUR/KAR

IP in ref.
BC–Si (2) 87.2G3.6 365G15
(CH3)2BC–CH3 7.8G1 32.6G4.2 ICR 1976MUR/BEA
23.1.3 BK–X bonds

Table 23.1.3 BDEs of BL–X Bonds
BDEs (boldfaceZ
recommended data;
BK–B (1) 97.7 408.9 (1) Derived (1) 1996SMI/YAT

EA in ref.
BHK
4 –BH3 41.2 172 Est. by exp. 1988WOR/SQU
BHK
4 –HOCH3 4.1 17.2 IR-NMR 1998EPS/SHU
–HO-iso-C3H7 3.8 15.9
BHK
4 –HOCHðCF3 Þ2 6.5 27.2 IR-NMR 1998EPS/SHU
–HOCH2CF3 5.2 21.8
–indole 2.5 10.5
23.2 Al–, and AlG–X bonds

23.2.1 Al–X bonds
Table 23.2.1 BDEs of Al–X Bonds
BDEs (boldfaceZ
recommended data;
Al(Al)x–Al
xZ0 (1) 36.6 153 (1) Review (1) 1979MIE/GIN
(2) 31.8G1.4 133G5.8 (2) Spectroscopy (2) 1990FU/LEM
1 (3) 55.3 231.6 (3) Spectroscopy (3) 1988FU/LEM
(4) 63.2G0.1 264.3G0.5 (4) PD (4) 2001FU/RUS
Al(110, surf.)–Al 9.9 41.5 FIM 1994KEL(c)

Al(311, surf.)–Al 11.1 46.3
Al(331, surf.)–Al 10.6 44.4
Al(Al)x–Al
xZ3 (1) 60.0 251 (1) PD (1) 1990JAR/RAY
4 (1) 62.3 261
5 (1) 78.4 32.8
6 (1) 46.1 193
7 (1) 60.0 251
8 (1) 62.3 261
9 (1) 64.6 270
10 (1) 71.5 299
11 (1) 83.0 347
12 (1) 69.2 289
13 (1) 61.1 256
14 (1) 65.7 275
15 (1) 66.9 280
H3Al–AlH3 33G5 138G21 MS 2005GOE/HER
I3Al–AlI3 24.6 102.9 Derived from 1996NIST

DfH0 in ref.
Al–Li 18.2 76.1 R2PI 1994BRO/PIL
Al–Ca 12.6 52.7 Spectrometry 1994BEH/MOR
Al–U 78G7 326G29 MS 1967GIN/BLU
Al–Ti 63.0 263.4 MS 1979HUB/HER
Al–V 35.2G0.2 147.4G1.0 Spectrometry 2001FU/RUS

–Cr 53.3G0.2 222.9G0.9
–Co 43.4G0.1 181.6G0.2
Al–Ni 53.7G1.2 224.7G4.8 Spectrometry 1993BEH/ARR
Al–Pd 60.8G2.9 254.4G12.1 MS 1976COC/GIN
AlNi(110, surf.)–Pt 11.1 46.3 FIM 2001NIL/COR
Al–Cu 54.3G0.3 227.1G1.2 Spectrometry 1993BEH/ARR(b)
Al–Ag 43.9G2.2 183.7G9.2 MS 1973CUT/FAB
Al–Au (1) 77.7G3.1 325G13 MS (1) 1973CUT/FAB

(2) 77.9G1.5 325.9G6.3 (2) 1973GIN/BLU
Al–Ne 0.93 3.9 Spectroscopy 1998YAN/DAG
Al–Ar (1) 1.40 5.87 Spectroscopy (1) 1990MCQ/GOL

(2) 1.24 5.18 (2) 1992HEI/FU
(3) 1.36 5.69 (3) 1993STA/SCH
(4) 1.24 5.18 (4) 1996STA/KNI
Al–Kr (1) 1.45 6.05 Spectroscopy (1) 1992HEI/FU
(continued)
Table 23.2.1 (continued) BDEs of Al–X Bonds
BDEs (boldfaceZ
recommended data;
(2) 1.45 6.05 (2) 1998STA/KNI
Al–Xe (1) 1.78G0.16 7.43G0.69 Spectroscopy (1) 1989CAL/MIT

(2) 1.77 7.39 (2) 1998STA/KNI
Al(H)x–H
xZ0 (1) 70.5G0.2 295.2G1.0 (1) Spectroscopy (1) 1979HUB/HER
(2) 67.8G2 283.7G8 (2) MS (2) 1981KAN/MOO
(3) 69.8G1.8 292.2G7.7 (3) Spectroscopy (3) 1983NAR/RAJ
DfH0 in ref.
2 (5) 87.5G6 366G25 DfH0 in ref.
Al–D 69.4 290.4 Spectroscopy 2000URE/GOM
Al(surf.)–H 44 184 Review 1979ERT
Si(solid)Al–H 33.2G0.5 138.9G1.9 Kinetics 1989ZUN/WEB
Al(Cl)x–H
2 69.1G7 289G30 DfH0 in ref.
AlHCl–H 80G7 335G30 Derived from 1996GUR/VEY

AlFCl–H 67.8G10 284G42 DfH0 in ref.
H–AlO 60.1 251 Derived from 1996NIST

AlO–H 111.1 465 DfH0 in ref.
Al(F)x–F
xZ0 (1) 159G3 665G12.6 (1) MS (1) 1966MUR/HIL(b)
DfH0 in ref.
1 121.5 508
2 142 594
Al(Cl)x–F
2 141G10 590G42 DfH0 in ref.
AlFCl–F 140.8G15 589G63 Derived from 1996NIST

DfH0 in ref.
AlHCl–F 154.2G10 645G42 1996GUR/VEY
OAl–F 174.0 728 Derived from 1996NIST

Al(FO)–F 145 607 DfH0 in ref.
Al(Cl)x–Cl
xZ0 (1) 121.3G0.2 507.5G1.0 (1) Spectroscopy (1) 1979RAM/RAI
DfH0 in ref.
1 (2) 83.7 350
2 (2) 101.7 426
Al(H)x–Cl
2 120.6G10 505G42 DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
AlHCl–Cl 115.5G10 483G42 Derived from 1996GUR/VEY

DfH0 in ref.
Al(F)x–Cl
2 101.8G15 426G63 DfH0 in ref.
AlFCl–Cl 101G15 423G63 Derived from 1996NIST

DfH0 in ref.
AlHF–Cl 118.3G10 495G42
Al(OH)x–Cl
2 113G12 473G50 DfH0 in ref.
Al(OH)Cl–Cl 113G12 473G50 Derived from 1996GUR/VEY

DfH0 in ref.
OAl–Cl 128.2 536 Derived from 1996NIST

DfH0 in ref.
Al–Br 102.6G1.4 429.2G5.8 MS 1989HIL/LAU
Al–I 88.4G0.5 369.9G2.1 Spectroscopy 1978MAR/BAR

Al(F)x–O
xZ1 135 565 Derived from 1996NIST
2 158.6 664 DfH0 in ref.
Al(Cl)–O 130.5 546 Derived from 1996NIST

DfH0 in ref.
Al(Al)x–O (1) 121.3G0.7 507.5G2.9 (1) Mol. beam (1) 1987COS/NAU

xZ0 (2) 123.1G1.0 515G4 (2) CID (2) 1992CLE/WEB
1 (4) 129.5 542 (4) Derived from (4) 1996NIST
DfH0 in ref.
Al(O)–O 96.2 402 Derived from 1996NIST

DfH0 in ref.
Al(111, surf.)–O 23–25 (phys.) 96–106 STM 1998TRO/BRU
Al–N (1) 85G10 356G42 MS (1) 1974GUR/KAR

(2) %88G3.6 %368G15 (2) 2000MEL/GIN
Al–P 51.8G3 216.7G12.6 MS 1966MAR/GIN
Al–As 48.4G1.7 202.7G7.1 MS 1979PIA
Al–Sb 51.7G1.4 216.3G6 MS 1978PIA/BAL
Al(S)x–S
xZ0 (1) 79.3G2.3 332G10 (1) PES (1) 1995NAK/TAG
(2) 88 368 (2) Derived from (2) 1996GUR/VEY
DfH0 in ref.
1 (2) 63.8 267
(continued)
BDEs (boldfaceZ
recommended data;
Al–Se (1) 80.7G2.4 337.6G10 (1) MS (1) 1971UY/DRO

(2) 76G3 318G13 (2) Review (2) 1974GUR/KAR
–Te (1) 64.0G2.4 267.8G10
(2) 64G3 268G13
Al–C 64 267.7 Spectroscopy 2001TZE/MAV
Al–Si 59G3 246.9G12.6 MS 1975CHA/ALL
Al(crystal)–H2 27G1 113G4 TPD 1991WIN/RES
F3Al–LiF 70.7 295.9 Derived 1985ZHU/NIK

–NaF 81.5 341.2
–KF 85.8 359
–RbF 86.1 360.2
–CsF 84.4 353.3
Al(polycr. surf.)–O2 152–211 635–882 Calorimetry 1960BRE/HAY
Al(OH)x–OH
DfH0 in ref.
1 (2) 84.1G6 352G25 (2) 1996GUR/VEY
2 (2) 129.6G6 542G25
Al(F)(OH)–OH 127.3G7 533G30 Derived from 1996GUR/VEY

DfH0 in ref.
Al(F)x–OH
2 115.7G12 484G50 DfH0 in ref.
Al(Cl)(OH)–OH 124.9G7 523G30 Derived from 1996GUR/VEY

DfH0 in ref.
Al(Cl)x–OH
2 115.2G12 482G50 DfH0 in ref.
Al–OAl 129.5 542 Derived from 1996NIST

DfH0 in ref.
(AlO)–AlO 135G5 565G21 Review 1967DRO/GOL
g-Al2O3(surf.)–CO w9.6 w40 Calorimetry 1998BOL/CER
Al(polycs. surf.)–CO 4.2 17.6 Review 1964HAY/TRA
Al(111, surf.)–CO 4.8 20.3 Photoemission 1980CHI/KAI
Al2O3–CO 13–19 55–80 Calorimetry 1999BOL/MAG

Al2O3/CaO–CO w7 w30
Al2O3/BaO–CO w11 w45
Al–CO2 O9 O38 Fluorescence 1988PAR/MIT(b)

detection
Al–NC 116.6 487.9 Derived from 1999MEL/GIN

–CN 111.2 465.3 DfH0 in ref.
Al2O3/NiAl(111, 10.7 44.8 TPD 2006OZE/PED

surf.)–H2O
(continued)
BDEs (boldfaceZ
recommended data;
Al–C2H2 O13 O54 TR RF 1988MIT/SIM

–C2H4 O16 O67
–1-butene O15 O63
–trans-butene 14.2G1 59.4G4.2
–tetra- 13.5G1 56.5G4.2
methylethylene
–1,4-cyclohexadiene O14 O59
–benzene 11.7G1 49.0G4.2
–toluene 14.1G1 59.0G4.2
–o-xylene 14.3G1 59.8G4.2
h-Al2O3(surf.)–C6H6 2.8 11.6 NMR 1989BOD/BEE
Al2O3(0001, surf.) 11.3G0.5 47.3G2.1 Photochemical 1998SLO/SUN

–C6H5I
Al–dimethyl ether 9.2G0.6 38.5G2.5 TR RF 1988PAR/MIT

–diethyl ether 9.2G1.2 38.5G5.0
–tetrahydrofuran 10.8 45.2
Al(100, surf.)–C(in 13 54 IR 1992ZEG/DUB

TIBA)
TIBAZAl(iC4H9)3
(CH3)3Al–ether 17.0 71.1 Calorimetry 1988PAR/MIT
(CH3)3Al–dimethyl 21.9 91.6 Calorimetry 1968HEN/DUF

ether
–diethyl ether 20.2 84.5
–tetrahydro 22.9 95.8
-furan
Al2O3(111, surf.)–NO2 9.1 38 ESR 1995SCH/BEC
Al2O3/NiAl(111, 8.7 36.6 TPD 2006OZE/PED

surf.)–NO2
Al–NH3 (1) 12.2 51.1 Derived (1) 1998PAL/LAT

(2) 10.4 43.4 (2) 1998PAL/SAT
–2NH3 (1) 18.2 76.2
Cl3Al–NH3 (1) 32.8G1.4 137.1G5.9 (1) MS (1) 1999TIM/SUV

(2) 41 172 (2) Review (2) 2001SCH
–N(CH3)3 (3) 47.5G2.0 198.7G8.4 (3) Derived (3) 1989HAA
Br3Al–NH3 (1) 34.4G1.1 143.8G4.6 (1) MS (1) 1999TIM/SUV

(2) 41.0 171.5 (2) Review (2) 2001SCH
–N(C2H5)3 (2) 44.8 187.4
(CH3)3Al–NH3 (1) 27.6G0.3 115.5G1.3 (1) Review (1) 2001SCH

(2) 26.8 112.1 (2) Combined (2) 2006WAN/CRE
–N(CH3)3 (1) 30.0G0.2 125.5G0.8 (3) Review (3) 1989HAA
(3) 31 130
–N(C2H5)3 (1) 26.5G0.2 110.9G0.8
(CH3)3Al–P(CH3)3 (1) 23 96 Review (1) 1989HAA

(2) 22.1G0.2 92.5G0.8 (2) 2001SCH
Br3Al–PBu3 47.5 198.7 Review 2001SCH

–PPh3 34.9 146.0
(CH3)3Al–PPh3 17.6G0.2 73.6G0.8 Review 2001SCH
(CH3)3Al–O(CH3)2 22 92
(continued)
BDEs (boldfaceZ
recommended data;
–S(CH3)2 18 75
–Se(CH3)2 16 67
I3Al–pyridine 37.3G1.7 156G7 MS 2002TIM/SUV
23.2.2 AlC– and AlK–X bonds

Table 23.2.2 BDEs of AlD– and AlL–X Bonds
BDEs (boldfaceZ
recommended data;
AlC(Al)x–Al
xZ0 (1) 20.8G6.9 87G29 (1) CID (1) 1987HAN/RUA
(2) 28.8G8.3 121G35 (2) CID (2) 1999ING/TAK
1 (1) 25.8G8.1 108G34
(2) 30.7G5.3 128G22
2 (1) 46.8G6.9 196G29
(2) 48.2G8.5 202G36
3 (1) 59.3G8.1 248G34
(2) 55.9G6.0 233G25
(3) 50.7G3.5 212G14 (3) PD (3) 1990JAR/RAY
4 (1) 55.3G6.9 232G29
(2) 59.7G8.1 250G34
(3) 54.2G3.5 227G14
5 (1) 103.1G9.2 431G39
(2) 84.2G14.3 352G60
(3) 81.9G5.8 343G24
6 (2) 21.7G6.0 91G25
(3) 43.8G4.6 183G19
7 (2) 36.4G14.3 152G60
(3) 60.0G6.9 251G29
8 (2) 39.9G9.2 167G39
(3) 64.5G8.1 270G34
9 (2) 35.1G9.2 147G39
(3) 66.9G8.1 280G34
10 (3) 71.7G8.1 300G34

11 (3) 81.3G9.2 340G39
12 (3) 71.7G11.5 300G48
13 (3) 59.8G13.8 250G58
14 (3) 66.9G13.8 280G58
15 (3) 69.3G13.8 290G58
AlC–(Al)xAl
xZ1 (1) 30.0G8.1 125G34 CID (1) 1987HAN/RUA
(2) 31.4G4.2 131G17 (2) 1999ING/HAR
2 (1) 19.6G9.2 82G39
(2) 21.2G7.4 89G31
3 (1) 30G8.1 125G34
(2) 37.6G7.4 157G31
4 (1) 35.7G6.9 150G29
(2) 38.0G5.1 159G21
5 (1) 58.8G16.1 246G68
(2) 42.7G7.6 178G32
6 (2) 29.3G8.1 123G34
7 (2) 29.7G8.1 124G34
8 (2) 30.7G8.1 128G34
9 (2) 33.0G9.2 138G39
AlC
2 –Alx
xZ2 58.8G8.1 246G34 CID 1987HAN/RUA
3 77.3G15.0 323G63
4 113.0G12.7 473G53
AlC
3 –Alx
xZ2 99.2G10.4 415G43 CID 1987HAN/RUA
3 130.8G12.7 547G53
AlC
x –Al2
xZ4 122.2G8.1 511G34 CID 1987HAN/RUA
5 167.2G9.2 700G39
AlC–Ca 35.5 148.5 Spectrometry 1994BEH/MOR
(continued)
Table 23.2.2 (continued) BDEs of AlC– and AlK–X Bonds
BDEs (boldfaceZ
recommended data;
AlC–Ag 2G11.7 9G49 Derived from IP 1996NIST

–Au 11.1G7 46.8G30 in ref.
AlC–Ar 3.70 15.47 Spectrometry 1992HEI/FU

–Kr 1.32 5.54
AlC–H 38.5 161.1 Derived from 1988LIA/BAR

DfH0 in ref.
AlC–F (1) 80G10 335G42 (1) Derived (1) 1974GUR/KAR

IP in ref.
–Cl (1) 30G10 126G42
(2) 41G10 173G42
AlC–Br 26.1G2.4 109G10 Derived from IP 1996NIST

–I 12G6.9 50G29 in ref.
AlC–O (1) 39.4G3.7 165G15 (1) Thermochem. (1) 1975STA/BEA

(2) 41.0G0.9 171.5G4 (2) Ion reactions (2) 1982HAL/BEA
(3) 34.6G2.8 145G12 (3) GIB MS (3) 1986WEB/ELK
IP in ref.
AlC–S (1) K1.7G2.9 K7G12 (1) Derived from (1) 1996NIST

IP in ref
–Se (1) 27.3G11.8 114G49
(2) 25G15 105G63 (2) Derived (2) 1974GUR/KAR
–Te (1) K5.5G11.8 K23G49
AlC–P K3.9G9.8 K16G41 Derived from IP 1996NIST

in ref.
AlC–Si 47G23.3 197G97 Derived from IP 1996NIST

in ref.
AlC(H2)x–H2
xZ0 1.35G0.15 5.6G0.6 Equilibrium 1998KEM/BUS(b)
1 1.10G0.15 4.6G0.6
AlC–N2 1.3 5.6 PI 1995BRO/DUN(b)
AlC–HCN 28G6 117G25 FT ICR 1995STO/HOL
AlC–CO2 R7.0 R29.3 PI 1995BRO/DUN(b)
AlC(H2O)x–H2O
xZ0 (1) 24.9G3.6 104G15 (1) CID (1) 1994DAL/TJE
1 (1) 16.1G1.2 67G5
2 (1) 15.2G1.8 64G8
3 (1) 12.5G1.4 52G6
AlC–NH3 (1) 39.0 163.1 Derived (1) 1998PAL/LAT

(2) 31.8 133.1 (2) 1998PAL/SAT
–2NH3 (1) 62.5 261.5
AlC(CH4)x–CH4
xZ0 (1) 6G2 25G8 (1) FT-ICR (1) 1996STO/SCH
(2) 6.05G0.3 25.3G1.3 (2) HP MS (2) 1998KEM/BUS(b)
1 (2) 4.80G0.3 20.1G1.3
2 (2) 4.04G0.3 16.9G1.3
3 (2) 3.2G0.6 13.4G2.5
4 (2) 3.0G0.5 12.6G2.1
5 (2) w2.8 w11.7
(continued)
Table 23.2.2 (continued) BDEs of AlC– and AlK–X Bonds
BDEs (boldfaceZ
recommended data;
AlC(C2H2)x–C2H2
(2) 14.0G1.0 58.6G4.2 (2) HP MS (2) 1998KEM/BUS(b)
1 (2) 13.6G1.5 56.9G6.3
AlC(C2H4)x–C2H4
(2) 14.9G0.8 62.3G3.3 (2) HP MS (2) 1998KEM/BUS(b)
(3) 8.5G3.5 35.7G14.5 (3) PD (3) 1999CHE/WON
1 (2) w9 w38
AlC–C2H6 (1) 9G2 38G8 (1) FT-ICR (1) 1996STO/SCH

(2) 9.3G0.5 38.9G2.1 (2) HP MS (2) 1998KEM/BUS(b)
AlC–CH3F 21.5G2.0 90.0G8.4 HP MS 1997BOU/BRE

–HC(O)H 27.5G2.5 115.1G10.5
AlC–MeOH 33.4 139.7 Derived 1997BOU/BRE

–EtOH 36.6 153.1
AlC(L)x–L, LZMeCN
xZ0 36.3 151.9 HP MS 1997BOU/BRE
1 22.2 92.9
AlC(L)x–L,
LZMeOMe
xZ0 37.9 158.6 HP MS 1997BOU/BRE
1 22.6 94.6
AlC(L)x–L,
LZMeCOMe
xZ0 42.3 177.0 Derived 1997BOU/BRE
1 28.3 118.4
AlC–EtC(O)Et 45.7 191.2 Derived 1997BOU/BRE
AlC(L)–L
LZacetone-d6 28.2 118.0 HP MS 1997BOU/BRE
cyclopentanone 28.7 120.1
diethylether 30.8 128.9
tetrahydrofuran 31.0 129.7
tetrahydropyran 30.6 128.0
AlC–C6H6 (1) 39 163 (1) FT-ICR (1) 1995STO/HRU

(2) 35.2G2 147.3G8.4 (2) Kinetics (2) 1996DUN/KLI
–C6D6 (1) 41.3 173
AlC–pyridine 45.8G2.5 191.5G10.3 CID 2002ROD/STA

AlC–phenol 37G4 154.8G16.7 Combined 1999RYZ/DUN

–indole 45G4 188.3G16.7
AlC(L)x–L, LZpyrrole
1 !25.2 !105.4
AlC–imidazole 55.5G2 232.4G8.2 CID 2004RAN/AMU
AlK–Al 55.5G2.0 232G8.4 Derived from EA 1996NIST

in ref.
23.3 Ga–, GaC–, and GaK–X bonds

23.3.1 Ga–X bonds
Table 23.3.1 BDEs of Ga–X Bonds
BDEs (boldfaceZ
recommended data;
Ga–Ga (1) 28G4 117G17 (1) Review (1) 1970DAR

(2) 26.4G1.7 110.3G7 (2) MS (2) 1991SHI/MAN
(3) 28.1 117.6 (3) Review (3) 1996SMI/YAT
(4) 27.4G1.1 114.5G4.8 (4) MS (4) 1998BAL/GIG
(5) !25.4 !106.4 (5) Spectrometry (5) 2003TAO/DAG
Ga(surf.)–Ga 40.6 169.8 Mol. beam 1994YAN/YAM
GaN(1000, surf.)–Ga 18.9 79.1 RHEED 2006HE/MOO
FGa–GaF 33.7G12 141G50 Derived from 1996GUR/VEY

F2Ga–GaF2 68.7G12 287G50 DfH0 in ref.
F3Ga–GaF3 41.8G12 175G50
ClGa–GaCl 19.6G5 82G21 Derived from 1996GUR/VEY

Cl2Ga–GaCl2 38.4G12 161G50 DfH0 in ref.
Cl3Ga–GaCl3 23.2G5 97G21
BrGa–GaBr 24.1G7 101G30 Derived from 1996GUR/VEY

Br2Ga–GaBr2 28.1G12 118G50 DfH0 in ref.
Br3Ga–GaBr3 21G5 88G21
IGa–GaI 18.2G12 76G50 Derived from 1996GUR/VEY

I2Ga–GaI2 24.3G12 102G50 DfH0 in ref.
I3Ga–GaI3 20.4G12 85G50
GaN(0001, surf.)–Ga 50.7G4.6 212.3G19.3 Mol. beam 1996GUH/BOJ
(As)Ga(110, surf.)–GaR3
RZMe 46.6 195 Desorption 1998WON/MCB
Et 37.8 158
nPr 36.8 154
i-Pr 35.6 149
n-Bu 36.1 151
t-Bu 33.7 141
Ga–In 22.5G0.7 94.0G3 MS 1998BAL/GIG
GaAs(100, surf.)–In 53.5G1.2 223.8G4.8 XPS 1989MCC/DON
GaAs(110, surf.)–He 0.10, at 0 K 0.41 Scattering 1987DOA/NGU
Ga–Ar 0.95 3.96 Spectroscopy 1998STA/KNI

–Kr 0.97 4.08
–Xe 1.26 5.27
Ga–Li 31.8G3.5 133.1G14.6 MS 1975GUG/NEU
GaAs(crystal)–Li 27.7G0.7 115.8G2.9 Diffusion 1997LEO/GIS
Ga–Cu 51.6G3.6 215.9G15 MS 1972CAR/BER
Ga–Ag (1) 43.0G3.6 180G15 (1) MS (1) 1972CAR/BER

(2) 37G4 154.8G16.7 (2) Review (2) 1974GUR/KAR
Ga–Au 69.3G3.6 290G15 MS 1972CAR/BER
Ga–H (1) !65.5 !274 (1) Spectroscopy (1) 1971KRO/LAG
(continued)
Table 23.3.1 (continued) BDEs of Ga–X Bonds
BDEs (boldfaceZ
recommended data;
(2) 62.7G2 262.2G8 (2) MS (2) 1981KAN/MOO

(3) 71.3 298.1 (3) Spectroscopy (3) 1982RAJ/PRA
DfH0 in ref.
Ga–D !66.1 !276.5 Spectroscopy 1971KRO/LAG
Ga(polycs. surf.)–H 40 167 Electrochemical 1970KRI
Ge(O)–H 121.5 508 Derived from 1996GUR/VEY

DfH0 in ref.
Si(solid)Ga–H 32.3G0.7 135.1G2.9 Kinetics 1989ZUN/WEB
Ga(F)x–F
xZ0 (1) 138G3.5 577.4G14.6 (1) MS (1) 1966MUR/HIL(b)
DfH0 in ref.
1 (2) 86.9G12 364G50
2 (2) 115.7G12 484G50
Ga(Cl)x–Cl
xZ0 (1) 110.7G0.7 463.1G2.9 (1) Photolysis (1) 1993GLO/GNA
DfH0 in ref.
1 (2) 65.2G12 273G50
2 (2) 79.6G12 333G50
Ga(Br)x–Br
DfH0 in ref.
1 48G12 201G50
2 61.1G12 256G50
Ga(I)x–I
xZ0 (1) 81G2.3 339G9.6 (1) Review (1) 1968GAY
DfH0 in ref.
1 (2) 43.1G12 180G50
2 (2) 46.3G12 194G50
Ga–O (1) 83.5G10 349G42 (1) Review (1) 1983PED/MAR

DfH0 in ref.
Ga–Te (1) 60G6 251G25 (1) MS (1) 1968UY/MUE

(2) 63G5 264G21 (2) Review (2) 1974GUR/KAR
Ga–P 54.9G3 229.7G12.6 MS 1971GIN/PIA
Ga–As 48.4G1.2 202.5G4.8 Spectroscopy 1990LEM/BIS
GaAs(surf.)–As 60 251 Mol. beam 1968ART
Ga–Sb 45.9G3 192.0G12.6 MS 1974PIA/BAL
GaAs(110, surf.)–Sb 10.4 (phys.) 43.4 PED 1997ASC/AVI
GaAs(110, surf.)–Sb 57.7 241 AES 1980NAG/MIY
Ga–Bi 37.9G4 158.6G16.7 MS 1972PIA/DES
GaAs(100, surf.) 19.6 (phys.) 82.0 MBE 1999WAN/FOR

–GaSb
GaAs(100, surf.) 49.6 207.4 MBE 1999WAN/FOR

–GaSb
(continued)
Table 23.3.1 (continued) BDEs of Ga–X Bonds
BDEs (boldfaceZ
recommended data;
GaAs(110, surf.)–H2 13.8 57.7 TPD 1984MOK/KOH
Ga–N2 (1) 3.6 15.2 (1) LIF (1) 1999GRE/HAN

(2) 4.5 19 (2) Raman (2) 2005HIM/HEB
/UV/Vis
Ga–OH 108.2 453 Derived from 1996GUR/VEY

DfH0 in ref.
Ga–OGa 123.9G5 518G21
Ga–N2 O3.6 O15.2 LIF 1999GRE/HAN
F3Ga–LiF 65.4 273.6 Derived 1985ZHU/NIK

–NaF 75.4 315.5
–KF 75.7 316.7
–RbF 75.7 316.7
–CsF 75.7 316.7
GaAs(110, surf.)–NO2 6G2 25G8 Mol. beam 1993FEL/BAH
GaAs(110, surf.)–NO2 9G2 38G8 Mol. beam 1995BAH/FEL
GaAs(110, surf.)–As4 w5.5 (phys.) w23 Mol. beam 1975FOX/JOY

GaAs(110, surf.)–As4 w8.8 w37
Ga–NH3 7.4 30.9 Derived 1998PAL/SAT

Cl3Ga–NH3 32.1G0.6 134.2G2.5 MS 1999TIM/SUV

Br3Ga–NH3 32.8G0.2 137.1G0.8
(CH3)3Ga–NH3 (1) 15.2G1.5 63.6G6.3 (1) Equilibrium (1) 2001PEL/CAR

(2) 16.3G0.5 68.2G2.1 (2) Equilibrium (2) 2005CRE/WAN
(3) 18.4 77 (3) Combined (3) 2006WAN/CRE
(CH3)2Ga–CH3 64.6 270.3 MS 1991CHE/DAP
Ga–C2H2 9G2 37.7G8.4 RF 1986MIT/HAC

–1-C4H8 9G2 37.7G8.4
–Ga(CH3)3 14G2 58.6G8.4
(C2H5)2O–GaCl3 50.7 212.1 Derived 1966GRE/SRI

–GaBr3 47.4 198.3
–GaI3 33.4 139.7
(CH3)3Ga–O(C2H5)2 12.1G0.2 50.6G0.8 Calorimetry 1976BAE/GAI
(CH3)2S–GaCl3 54.2 226.8 Derived 1966GRE/SRI

–GaBr3 50.6 211.7
–GaI3 40.2 168.2
(C2H5)2S–GaCl3 56.2 235.1 Derived 1966GRE/SRI

–GaBr3 51.8 216.7
–GaI3 40.8 170.7
I3Ga–pyridine 33.5G1.7 140G7 MS 1995TIM/GRI

23.3.2 GaC–X bonds

Table 23.3.2 BDEs of GaD –X Bonds
BDEs (boldfaceZ
recommended data;
GaC–Ga 30.2 126.3 Derived 1996SMI/YAT
GaC–F (1) 31G10 130G42 (1) Derived (1) 1974GUR/KAR

IP in ref.
GaC–Cl 20.5G5 86G21 Derived from IP 1996NIST

–Br 13.5G3.8 56.5G16 in ref.
–I 9.9G3.6 41.6G15
GaC–O (1) 12 50 Derived (1) 1974GUR/KAR

(2) 11G12 46G50 (2) 2004LAV/BLA
GaC–Te 4.6G5 19G29 Derived from IP 1996NIST

in ref.
GaC–Sb 9G23 38G96 Derived from IP 1996NIST

–Bi 15G23.4 62G98 in ref.
GaC–NH3 29.3 122.5 Derived 1998PAL/SAT

23.3.3 GaK–X bonds

Table 23.3.3 BDEs of GaL–X Bonds
BDEs (boldfaceZ
recommended data;
GaK–Ga 49.3 206.3 Derived 1996SMI/YAT
GaHK
4 –HOCH3 4.3 18.0 IR-NMR 2004BEL/FIL
–HO-iso-C3H7 4 16.7
GaHK
4 –HOCH2 CH2 F 4.4 18.4 IR-NMR 2004BEL/FIL
–HOCH2CF3 5.4 22.6
GaHK
4 –indole 4.4 18.4 IR-NMR 2004BEL/FIL
–HN2C6H4-p-NO2 2.6 10.9
23.4 In– and InG–X bonds

23.4.1 In–X bonds
Table 23.4.1 BDEs of In–X Bonds
BDEs (boldfaceZ
recommended data;
In–In (1) 24.2 101.2 (1) MS (1) 1979HUB/BER

(2) 24.9 104 (2) Review (2) 1979MIE/GIN
(3) 21G2 88G8 (3) Raman (3) 1983FRO/SCH
(4) 20.1 84.1 (4) Review (4) 1996SMI/YAT
(5) 19.6G1.4 82.0G5.7 (5) MS (5) 1998BAL/GIG
FIn–InF 34.8G12 146G50 Derived from 1996GUR/VEY

DfH0 in ref.
(continued)
Table 23.4.1 (continued) BDEs of In–X Bonds
BDEs (boldfaceZ
recommended data;
F2In–InF2 88.5G12 370G50

F3In–InF3 55.9G12 234G50
ClIn–InCl 21G3 88G13 Derived from 1996GUR/VEY

DfH0 in ref.
Cl2In–InCl2 42.1G12 176G50
Cl3In–InCl3 34.2G6 143G25
BrIn–InBr 21.1G6 88G25 Derived from 1996GUR/VEY

DfH0 in ref.
Br2In–InBr2 56.2G12 235G50
Br3In–InBr3 27.9G6 117G25
IIn–InI 19.3G7 81G30 Derived from 1996GUR/VEY

DfH0 in ref.
I2In–InI2 28.9G12 121G50
I3In–InI3 26G6 109G25
In–Ga 22.5G0.7 94.0G3 MS 1998BAL/GIG
In–Ar (1) 2.08 8.7 Spectroscopy (1) 1989CAL/MIT

(2) 1.00 4.18 (2) 1998STA/KNI
–Kr (1) 3.23 13.5
(2) 1.16 4.85
–Xe (1) 5.00 20.91
(2) 1.55 6.48
In–Li 22.1G3.5 92.5G14.6 MS 1975GUG/NEU
In–Cu 44.8G1.9 187.4G7.9 MS 1989BAL/DI

In–Ag (1) 41G4 171.5G16.7 (1) Review (1) 1974GUR/KAR

(2) 39.8G1.2 166.5G4.9 (2) MS (2) 1989BAL/DI
In–Au 68.4G1.4 286.0G5.7 MS 1989BAL/DI
In–Zn 7.7 32.2 MS 1967DRO/GOL
In–Cd 32 134 Review 1974GUR/KAR
In–H (1) 57G5 238G21 (1) Review (1) 1970DAR

(2) 58.1 243.1 (2) Spectroscopy (2) 1979HUB/HEB
(3) 58.1 243.1 (3) Spectroscopy (3) 1995WHI/DUL
DfH0 in ref.
(5) 58.8 246.0 (5) Review (5) 2006SKU/NIE
In–D 58.8 246.0 Spectroscopy 1979HUB/HEB
In(H)x–H
xZ1 34.1 142.7 Review 2006SKU/NIE
2 70.7 295.8
In(H)xCl–H
1 68.5 286.6
InCl2–H 67.3 281.6 Review 2006SKU/NIE
In(polycs. surf.)–H 31 130 Electrochemical 1970KRI
(OIn)–H 116.7G5 488G21 Derived from 1996GUR/VEY

DfH0 in ref.
(continued)
BDEs (boldfaceZ
recommended data;
Si(solid)In–H 32.7G0.7 137.0G2.9 Kinetics 1989ZUN/WEB
(InP)Mg–H 32.3G1.8 135.1G7.7 SIMS 1993BAL/KUM
In(H)x(CH3)–H
1 70.8 296.2
In(CH3)2–H 70.7 295.8 Review 2006SKU/NIE
In(H)x(C2H5)–H
1 70.1 293.3
In(C2H5)2–H 69.6 291.2 Review 2006SKU/NIE
InCl(C2H5)–H 75.2 314.6 Review 2006SKU/NIE
In(H)x(OH)–H
1 68.8 287.9
In(OH)2–H 68.3 285.8 Review 2006SKU/NIE
In(H)x(OCH3)–H
1 68.6 287.0
InCl(OCH3)–H 66.5 278.2 Review 2006SKU/NIE
In(F)x–F
xZ0 (1) 121G3.5 506.3G14.6 (1) MS (1) 1966MUR/HIL(b)
DfH0 in ref.
1 (2) 82.1G12 344G50
2 (2) 116G12 485G50
In(Cl)x–Cl
xZ0 (1) 104.3G2 436G8 (1) Derived from (1) 1996GUR/VEY
DfH0 in ref.
(2) 102.3 428.0 (2) 2006SKU/NIE
1 (1) 60G12 251G50
(2) 43.5 182.0
2 (1) 69.2G12 290G50
(2) 87.2 364.8
In(H)x–Cl
2 96.9 405.4
In(H)(Cl)–Cl 91.8 384.1 Review 2006SKU/NIE
In(CH3)x–Cl
2 100.8 421.7
In(CH3)(Cl)–Cl 92.6 387.4 Review 2006SKU/NIE
In(H)(C2H5)–Cl 98.7 413.0 Review 2006SKU/NIE
In(C2H5)2–Cl 100.3 419.7 Review 2006SKU/NIE
(continued)
BDEs (boldfaceZ
recommended data;
In(OH)(Cl)x–Cl
1 88.8 371.5
In(OH)2–Cl 88.8 371.5 Review 2006SKU/NIE
In(OH)(CH3)–Cl 95.7 400.4 Review 2006SKU/NIE
In(OCH3)(Cl)x–Cl
1 88.1 368.6
InH(OCH3)–Cl 92.0 384.9 Review 2006SKU/NIE
In(Br)x–Br
xZ0 97.7G2.4 409G10 Derived from 1996GUR/VEY
1 49.6G12 208G50 DfH0 in ref.
2 52.2G12 218G50
In(I)x–I
xZ0 (1) 78.6 329 (1) Spectroscopy (1) 1988VEM/JON
DfH0 in ref.
(3) 73.3G0.3 306.9G1.1 (3) Spectroscopy (3) 1999KIN/HER
1 (2) 41.2G12 172G50
2 (2) 41.3G12 173G50
In–O(In)x
xZ0 (1) !75.6G10 !316G42 (1) Review (1) 1983PED/MAR
DfH0 in ref.
1 (2) 101.3G7 424G30
In–OH 96.7G4 405G17 Derived from 1996GUR/VEY

DfH0 in ref.
In–S 68.8G3.5 287.9G14.6 MS 1968COL/DRO

–Se 58.6G3.5 245.2G14.6
–Te 51.5G3.5 215.5G14.6
In–P 47.3G2.0 197.9G8.4 MS 1976PIA/BAL
In–As 48.0G2.4 201G10 MS 1982PIA/GIG
In(Sb)x–Sb
xZ0 36.3G2.5 151.9G10.5 MS 1959MAR/DRO
1 66.7 279.1
In–Bi 36.7G0.4 153.6G1.7 MS 1981RIE/HAR
In–NH3 8.3 34.7 Derived 1998PAL/SAT
Cl3In–NH3 26.8G1.3 112.1G5.4 MS 1999TIM/SUV

Br3In–NH3 27.3G1.5 114.1G6.3
(CH3)3In–NH3 15.0G0.6 62.8G2.5 Equilibrium 2005CRE/WAN
In(CH3)x–CH3
xZ0 (1) 51.7 216.3 Review (1) 1999BAU
(2) 52.5 219.7 (2) 2006SKU/NIE
1 (1) 24.5 102.4
(2) 27.1 113.4
2 (1) 64.2 268.6
(2) 64.3 269.0
In(H)x–CH3
2 64.1 268.2
(continued)
BDEs (boldfaceZ
recommended data;
In(H)(CH3)–CH3 64.1 268.2 Review 2006SKU/NIE
In(Cl)x–CH3
2 64.3 269.0
In(Cl)(CH3)–CH3 62.9 263.2 Review 2006SKU/NIE
In(OH)x–CH3
2 63.7 266.5
In(OH)(CH3)–CH3 62.8 262.8 Review 2006SKU/NIE
In(OH)(Cl)–CH3 65.1 272.4 Review 2006SKU/NIE
In(H)x–C2H5
2 59.1 247.3
In(H)(C2H5)–C2H5 64.7 270.7 Review 2006SKU/NIE
In(C2H5)x–C2H5
1 23.7 99.2
2 58.2 243.5
In(H)(Cl)(C2H5)–C2H5 59.3 248.1 Review 2006SKU/NIE
In(Cl)2(C2H5)–C2H5 60.1 251.5 Review 2006SKU/NIE
(CH3)3In–N(CH3)3 19.9G0.5 83.3G2.1 Derived 1956COA/WHI

23.4.2 InC– and InK–X bonds

Table 23.4.2 BDEs of InD– and InL–X Bonds
BDEs (boldfaceZ
recommended data;
InC–In (1) 45.2 189 (1) Derived (1) 1996SMI/YAT

IP in ref.
InC–F (1) 34G12 142G50 (1) Derived (1) 1974GUR/KAR

IP in ref.
InC–Cl (1) 16.6 69.5 (1) Review (1) 1979HUB/HER

IP in ref.
–Br (1) 15.9 66.6
(2) 15.6G3 65.2G12.6
–I (1) 16.6 69.5
(2) 12.3G5 51.5G21
InC–S (1) 40G12 167G50 (1) Derived (1) 1974GUR/KAR

IP in ref.
–Se (1) 29G12 121G50
(2) 28G12 118G50
–Te (1) 13G12 54G50
(2) 9.7G12 41G50
InC–Sb 17.5G12 73G50 Derived from IP 1996NIST

in ref.
InC–N2 13.8 57.7 PI 1995BRO/DUN
InC–NH3 26.5 111 Derived 1998PAL/SAT
InK–In (1) 25.1 105 (1) Derived (1) 1996SMI/YAT

IP in ref.
23.5 Tl– and TlG–X bonds

23.5.1 Tl–X bonds
Table 23.5.1 BDEs of Tl–X Bonds
BDEs (boldfaceZ
recommended data;
Tl–Tl (1) 12.9 54 (1) Review (1) 1979MIE/GIN

(2) 15.4G4 64.4G17 (2) MS (2) 1980BAL/PIA
(3) 11G1 46G4 (3) Raman (3) 1983FRO/SCH
(4) 14.2 59.4 (4) Derived from (4) 1988LIA/BAR
DfH0 in ref.
FTl–TlF 32.5G3 136G13 Derived from 1996GUR/VEY

ClTl–TlCl 24.9G3 104G13 DfH0 in ref.
BrTl–TlBr 22.9G3 96G13
ITl–TlI 20.6G3 86G13
Tl–Hg (1) 1 4 Est. by exp. (1) 1950HER

(2) 0.7 2.9 (2) 1973LIT/SPA
Tl–Ar 0.98 4.09 Spectroscopy 1998STA/KNI

–Kr 0.99 4.14
–Xe 1.00 4.18
Tl(O)x–H
xZ0 46.7G1 195.4G4 Derived from 1996GUR/VEY
1 118.2G7 495G30 DfH0 in ref.
Tl–D 46.1 193. Spectroscopy 1979HUB/HER
Tl–F (1) 101G3.5 422.6G14.6 (1) MS (1) 1966MUR/HIL(b)

(2) 105.5G0.5 441.4G2.1 (2) PI (2) 1968BER/WAL
(3) 105G5 439G21 (3) Review (3) 1970DAR
Tl–Cl 89.1G0.5 372.8G2.1 PI 1968BER/WAL
Tl–Br (1) 78.9G0.5 330.1G2.1 (1) PI (1) 1968BER/WAL

(2) 79G5 331G21 (2) Review (2) 1970DAR
–I (1) 65.3G0.5 273.2G2.1
(2) 68G5 285G21
(O)(Tl)x–Tl
1 78.2G7 327G30 DfH0 in ref.
Tl–O 51G20 213G84 Review 1983PED/MAR
Tl–OH 78.8G7 330G30 Derived from 1996GUR/VEY

DfH0 in ref.
Tl–P 50G3 209G13 MS 1978PIA/BAL
Tl–As 47.4G3.6 198.3G14.6 MS 1972PIA/MAL
Tl–Sb 30.3G2.5 126.7G10.5 MS 1981BAL/FER
Tl–Bi 28.9G3 120.9G12.6 MS 1972MAR/MAL

23.5.2 TlC– and TlK–X bonds

Table 23.5.2 BDEs of TlD– and TlL–X Bonds
BDEs (boldfaceZ
recommended data;
TlC–Tl 5.3G12 22G50 Derived from IP 1996NIST

in ref.
TlC–F (1) 6G5 25G21 (1) Derived (1) 1974GUR/KAR

IP in ref.
(3) 4.6 19.2 (3) Derived (3) 2005SCH/WUL
TlC–Cl (1) 13G2 54G8 (1) Derived (1) 1974GUR/KAR

IP in ref.
–Br (1) 10G2 42G8
(2) 12G12 52G50
–I (1) 14G2 59G8
(2) 32G5 133G21
TlK–Tl 28.6G2.4 120G10 Derived from EA 1996NIST

in ref.
chapter twenty-four
BDEs in the C-, Si-, Ge-, Sn-, Pb-clusters

and complexes
24.1 Carbon and the ion clusters/complexes

24.1.1 Carbon clusters/complexes
Table 24.1.1 BDEs in Carbon Clusters/Complexes
BDEs (boldfaceZ
The broken bonds recommended data; Methods
(boldfaceZ reference in parentheses) (reference in
dissociated fragment kcal/mol kJ/mol parentheses) References
C–C in neutral clusters

see Section 4.6
C(amorphous)–Ag 19.1 80.0 STM 1980UTL
C(amorphous)–Au 20.3 84.9 STM 1980UTL
C(amorphous)–In 19.4 81.0 STM 1980UTL
2,3-Dimethynaphthalene–He 0.17, at 0 K 0.72 Combined 1997BAC/LEU
C(diamond, 111, surf )–He 0.15, at 0 K 0.62 Scattering 1983VID/FRA
C(graphite)–He 0.28 1.19 Review 1991VID/IHM
CH4–Ne w0.1, at 0 K w0.5 Scattering 1987LIU/LUZ
(continued)
1087
Table 24.1.1 (continued) BDEs in Carbon Clusters/Complexes
BDEs (boldfaceZ
cyclo-C3H6–Ne w0.34, at 0 K w1.44 Spectroscopy 1997XU/JAG
Benzene–Ne (1) w0.4, at 0 K w1.8 (1) FT MW (1) 1994BRU/MAK

(2) 0.2 0.9 (2) Spectroscopy (2) 1995BET/BET
Fluorene–Ne R0.7, at 0 K R2.8 TRPI 1983LEU/EVE
p-Difluorobenzene–Ne 0.34, at 0 K 1.44 UV fluorescence 2004JAY/PAR
C(graphite)–Ne 0.69 2.90 Review 1991VID/IHM
C–Ar 1.233, at 0 K 5.158 Spectroscopy 2000LEI/DAG
C(graphite)–Ar 2.3 9.6 Review 1991VID/IHM
CH4–Ar w0.3, at 0 K w1.3 Scattering 1987LIU/LUZ
CH2F2–Ar w0.4, at 0 K w1.5 Spectroscopy 2000LOP/FAV
CF2CH2–Ar 0.50, at 0 K 2.10 Spectroscopy 1995BET/BET
cyclo-C3H6–Ar w0.88, at 0 K w3.67 Spectroscopy 1997XU/JAG
C6H6–Ar (1) !0.97, at 0 K !4.07 (1) Spectroscopy (1) 1993KRA/NEU

(2) w1.2 w4.9 (2) FT MW (2) 1994BRU/MAK
(3) !0.90 !3.78 (3) Spectroscopy (3) 1999SAT/PIE
(4) !0.97 !4.1 (4) MATI (4) 1999NEU/GRE
(5) 0.90 3.76 (5) Spectroscopy (5) 2003SAM/LAW
BDEs in the C-, Si-, Ge-, Sn-, Pb-Clusters and Complexes 1089
C6H5CHCH2–Ar 1.13, at 0 K 4.74 MPI 1988RAD/EVE
C6H5CH2–Ar 1.29, at 0 K 5.38 Spectra 1993DIS/BER
C6H5F–Ar (1) 0.92, at 0 K 3.84 MATI (1) 1996GRE/NEU

(2) 0.98 4.11 (2) 1997LEM/BRU
C6H5F–2Ar 0.99, at 0 K 4.15 MATI 1997LEM/BRU

–3Ar 1.04 4.35
p-C6F2H4–Ar (1) w1.1, at 0 K w4.8 Spectroscopy (1) 1986BUT/CAT

(2) 1.64 6.84 (2) 2001BEL/MOU
p-F-C6H4CH3–Ar 0.94G0.06, at 0 K 3.94G0.24 MATI 2004GEO/CHA
C6H5CH3–Ar 0.59–0.72, 0 K 2.45–3.00 LIF 1997KEN/HAA
C(graphite, 001, surf.)–Ar 2.3 9.6 Model 1973STE
Perylene–Ar 1.6–2.0, at 0 K 6.7–8.4 Fluorescence 1989WIT/KAZ
t-Stlbene–Ar 1.13–1.70, at 0 K 4.74–7.11 LIF 1990SEM/BAS
Fluorene–Ar 1.5G0.3, at 0 K 6.1G1.1 R2PI 1983LEU/EVE
Anthracene–Ar 0.98–2.04, 0 K 4.09–8.52 LIF 1991MUL/HEI
Tetracene–Ar !0.78, at 0 K !3.28 LIF 1981GRI/FRE
CH4–Kr w0.4, at 0 K w1.6 Scattering 1987LIU/LUZ
(continued)
BDEs (boldfaceZ
CH2F2–Kr 0.45, at 0 K 1.9 Spectroscopy 2005MAR/MEL
cyclo-C3H6–Kr w1.01, at 0 K w4.24 Spectroscopy 1997XU/JAG
C6H6–Kr (1) !1.15, at 0 K 4.81 (1) Spectroscopy (1) 1993KRA/NEU

(2) w1.5 w6.1 (2) FT MW (2) 1994BRU/MAK
p-C6F2H4–Kr 2.06, at 0 K 8.61 Spectroscopy 2001BEL/MOU
Fluorene–Kr R2.0, at 0 K R8.6 Two-photon tech 1983LEU/EVE
C(graphite)–Kr 2.9 12.1 Review 1991VID/IHM
CH2F2–Xe 0.4, at 0 K 1.8 Spectroscopy 2006CAM
CH4–Xe w0.4, at 0 K w1.7 Scattering 1987LIU/LUZ
Benzene–Xe (1) w1.8, at 0 K w7.6 (1) FT MW (1) 1994BRU/MAK

Fluorene–Xe R2.1, at 0 K R8.8 Two-photon tech 1983LEU/EVE
C(graphite)–Xe 3.74 15.6 Review 1991VID/IHM
C(graphite)–H 0.7 (phys) 3.0 Review 1991VID/IHM

C(0001, surf.)–H (1) 13.8 57.9 (1) TDS (1) 2002ZEC/GUT

(2) 14.3 60 (2) HR-EELS (2) 2005ALL/FER
C(0001, surf.)–D 21.9 91.7 TDS 2002ZEC/GUT
C(graphite)–H2 0.96 (phys) 4.01 Review 1991VID/IHM
C(graphite)–H2 50 209 Review 1964HAY/TRA
CH4–H2 0.08, at 0 K 0.33 IR 1999MCK/ROT
C(graphite)–Cl2 32 134 Review 1964HAY/TRA
C2F4–O2 3.14G0.29, 0 K 13.14G1.21 PI 1997CHE/PRE
C6H6–O2 1.6G0.3, at 0 K 6.7G1.3 PI 1992GRO/HAG

C6F6–O2 2.1G0.4 8.8G1.7
C(graphite)–O2 (1) 2.5 (phys) 10.5 (1) G-S CG (1) 1964GAL/BEE

(2) 2.4 10.0 (2) Virial anal. (2) 1987BOJ/STE
C(graphite)–O2 97 406 Review 1964HAY/TRA
C6H6–N2 (1) 0.92G0.07, 0 K 3.85G0.29 (1) R2PI (1) 1991ERN/KRA

(2) 0.87–1.01 3.64–4.23 (2) Review (2) 1995GIL/PAR
C6H5CH3–N2 2.25, at 0 K 9.39 R2PI 2003HU/YAN
1,4-C6H4F2–N2 !0.69, at 0 K !2.87 Spectroscopy 1995GIL/PAR
C(graphite)–N2 (1) 2.5 10.4 (1) Calorimetry (1) 1983PIP/MOR
(continued)
BDEs (boldfaceZ

(3) 2.4 10.0 (3) Review (3) 1991VID/IHM
C(graphite)–NO 2.4 10.1 Adsorption 1974MAT/THO
C2H2–HF 3.11G0.01, 0 K 13.02G0.02 Photofrag. 1999OUD/MOO
C6H6–HF 1.43, at 0 K 5.98 Spectroscopy 1995BET/BET
C2H2–HCl 3.11, at 0 K 13.02 Photofrag. 1999OUD/MIL
C2H4–HCl (1) !3.18G0.74, 0 K !13.31G3.10 (1) PI (1) 1986WAL/GRO

(2) 1.5–2.1 6.4–8.7 (2) IR (2) 1997HER/EVE
C6H6–HCl (1) 4.79G0.12, 0 K 20.04G0.50 (1) PI (1) 1985WAL/GRO

(2) 1.8–3.8 7.5–15.9 (2) REMPI (2) 1990GOR/GAR
(4) 2.90G0.50 12.13G2.09 (4) Re-cal. (4) 2002MON/DIM(b)
Furan–HCl 2.52, at 0 K 10.56 Spectroscopy 1995BET/BET
Ni(110, surf.)CO–CO 1.8 (phys) 7.4 Diffraction 1993XIA/XIE
Benzene–CO 0.60, at 0 K 2.52 Spectroscopy 1995BET/BET
C(graphite)–CO (1) 2.6 10.9 (1) Adsorption (1) 1984PIP/MOR

C6H6–H2O (1) 1.63–2.78, 0 K 6.8–11.6 (1) Multi-PI (1) 1992GOT/ZWI

(2) 2.25G0.28 9.45G1.2 (2) PI. (2) 1995CHE/GRO

(3) 2.44G0.09 10.23G0.39 (3) R2PI (3) 1998COU/MON(b)
C6H6–D2O 2.67G0.11, at 0 K 11.17G0.48 R2PI 1998COU/MON(b)
p-F-C6H4F–H2O 2.79G0.03, 0 K 11.66G0.13 R2PI 1995BRE/BAR
C6H5CH3–H2O 2.5G0.1, at 0 K 10.6G0.4 IR 2004MIY/FUJ
Naphthalene–H2O w3.0, at 0 K w12.5 PES 2000SCH/KNO

Azulene–H2O w25.6 w107
(trans-1-naphthol)–H2O 5.8G0.2, at 0 K 24.3G0.8 MATI 2003BRA/NEU
Anthracene(H2O)x–H2O
xZ0 1.1, at 0 K 4.8 PES 1998PAL/TOP
1 2.3 9.6
C(graphite)–H2O 4.3 17.8 G-S CG 1964GEL/BEE
C(graphite, 0001)–H2O (1) 10.4G0.7 43.4G2.9 (1) TPD (1) 1995CHA/OST

(2) 9.5G0.2 39.9G0.8 (2) RAIRS (2) 2005BOL/WOL(b)
CF2H2–H2O 1.8 7.5 MW spectra 1999CAM/MEL(b)
C6H5CH3–CO2 2.2–2.9, at 0 K 9.5–12.2 LIF 1997KEN/HAA
Perylene–CO2 3.56, at 0 K 14.89 Spectra 1993WIT/TOP
trans-2-C4H8–SO2 3.85G0.23, at 0 K 16.1G1.0 PI 1985GRO/WAL
(continued)
BDEs (boldfaceZ
C6H6–SO2 4.40G0.28 18.4G1.2
C(amorphous)–CdCl2 19.8 83.0 STM 1980UTL
C(amorphous)–AuCl3 20.3 84.9 STM 1980UTL
C(graphite)–NH3 5.8 (phys) 24.3 TPD 2005BOL/BRO
C(graphite)–NH3 17 71 Review 1964HAY/TRA
HCN–NH3 2.92, at 0 K 12.21 Review 1995HIL/FRA
CO2–NH3 2.82, at 0 K 11.81 Review 1995HIL/FRA
OCS–NH3 2.81, at 0 K 11.75 Review 1995HIL/FRA
HCCH–NH3 2.81, at 0 K 11.77 Review 1995HIL/FRA
C6H6–NH3 1.84G0.12, 0 K 7.70G0.50 R2PI 2002MON/DIM
C6H5CH3–NH3 1.6–2.3, at 0 K 6.9–9.5 LIF 1997KEN/HAA
C6H5Cl–NH3 2.9G0.5, at 0 K 12.0G2.2 PI 1994GRO/CHE
(1-naphthol)–NH3 7.66, at 0 K 32.06 R2PI 1995BUR/DRO

–ND3 8.01 33.51
C6H6–CHF3 2.0 8.4 Spectroscopy 2006LOP/CAM

CF2H2–CF2H2 1.6 6.6 MW spectra 1999CAM/MAL
Oxirane–CF2H2 2.3 9.6 Spectroscopy 2006BLA/LOP
C6H6–CCl4 2.4–3.2, at 0 K 10.0–13.4 REMPI 1990GOR/GAR

–CHCl3 2.0–4.6 8.4–19.2
–CH3Cl 1.5–3.4 6.3–14.2
C6H6–CH4 1.03–1.13 4.3-4.7 MATI 2006SHI/FUJ
Perylene–CH4 1.78–2.30 7.44–9.62 Review 1993TOP
C(graphite)–CH4 3.6 15 TD 1970THO/DUV
C(amorphous)–AnCl3 20.3 84.9 STM 1980UTL
C(amorphous)–UO2Cl2 19.8 83.0 STM 1980UTL
C(graphite)–CH3OH 7.4 31 TPD 2005BOL/WOL
(1-naphthol)–CH3OH 7.56G0.39, 0 K 31.63G1.63 R2PI 1995BUR/DRO
C6H5CH3–N(CH3)3 3.1G0.6, at 0 K 12.9G2.4 LIF 1997KEN/HAA
Nanotube interior–cis(NO)2 3.6G0.2, at 0 K 15.1G0.7 IR 2003KON/YAT
nC3H7C6H5–CH4 1.5–2.7, at 0 K 6.3–11.2 Jet spectroscopy 1985LAW/SCH

–C2H6 w2.7 w11.1
–C3H8 O2.8 O11.5
Perylene–C2H4 2.99, at 0 K 12.50 Spectroscopy 1993WIT/TOP
(continued)
BDEs (boldfaceZ
C(amorphous)–C2H6 w1.4 (phys) w5.9 Scattering 1986COU/BIE
C(amorphous)–C2H6 5.8 24.3 Scattering 1986COU/BIE
CF2CH2–(CH3)2O 1.13 4.76 FT-MW 2003TAT/OGA

CF2CFH–(CH3)2O 1.43 5.98
CHF3–oxirane 1.6 6.7 FT-MW 2004ALO/ANT
CHF3–cyclobutanone 1.8 7.5 Spectroscopy 2006OTT/CAM
B–B, BZtrans-2-C4H8 2.9G1.1, at 0 K 12.1G4.6 PI 1985GRO/WAL
C8H18-1-C8H17OH !6.5, at 0 K !27.2 IR 2005PAO/SAS
CHF3–dioxane w1.6 w6.8 FT-MW 2005FAV/GIU
C6H6–C6H6 (1) 1.61G0.23, 0 K 6.75G0.96 R2PI (1) 1994NEU/KRA

(2) 1.66G0.16 6.95G0.67 (2) 1998COU/MON(b)
C6H6–cyclohexane 1.8G0.5 7.7G1.9 R2PI 1994NEU/KRA

–toluene 3.00G0.23 12.54G0.96
–p-difluorobenzene 1.84G0.46 7.72G1.9
C(amorphous)–C6H6 11.5 48.2 TDS 2004ZAC/ULB
C6H6–C6H5Cl 3.23G0.23 13.51G0.96 R2PI 1996LU/HU

C6H5Cl–C6H5Cl 3.46G0.23 14.47G0.96
C6H5CH3–SF6 3.57G0.06,at 0 K 14.95G0.24 ZEKE 1999GEP/DES
C6H6–indole 5.21G0.04, at 0 K 21.81G0.18 MATI 1998BRA/GRE
C6H6–3-methylindole 5.02G0.06, at 0 K 20.99G0.24 MATI 2005GEO/NEU
B–B, BZtoluene 3.46G0.23, at 0 K 14.47G0.96 R2PI 1994NEU/KRA

p-difluorobenzene 2.08G0.46 8.68G1.93
C2H4–phenol 3.1, at 0 K 13.2 TR-IR-UV 2004KAY/EBA
cyclo-C6H12–phenol 6.92G0.03, at 0 K 28.95G0.13 SEP-R2PI 1997WIC/DRO
C6H6–phenol 5.07G0.07, at 0 K 21.21G0.29 SEP-R2PI 1997WIC/DRO

C6D6–phenol 5.08G0.06 21.25G0.25
CH4–C6H5NH2 1.37, at 0 K 5.74 Spectroscopy 1993HIN/BER

CH4–4–C2H5–C6H5NH2 1.66 6.94
CH4–carbazole 1.91, at 0 K 8.00 SEP-R2PI 1995BUR/DRO(b)
C(amorphous)–C8H8 19.6 82.0 TDS 2004ZAC/ULB
(C10H8)(L)x–L, LZC10H8
xZ0 2.9, at 0 K 12.1 R2PI 2003FUJ/LIM
1 8.9 37.1
2 12.1 50.7
B–B, BZanthracene (1) 6.9G1.5 28.9G6.3 (1) DSC (1) 1981DON/GUA

(2) 4.2, at 0 K 17.6 (2) PI (2) 2004BOU/MIL
(3) 13G4 54G17 (3) Derived (3) 2006GRI/DIE
(continued)
BDEs (boldfaceZ
B–B, BZ9- 7.1G0.7 29.5G3 DSC 1999GRI/PEY

decyloxyanthracene
B–B, BZ9-decylanthracene 6.6G0.7 27.6G3 DSC 1999GRI/PEY
B–B, BZ9-methoxyanthracene 10.3G0.7 43.2G3 DSC 1999GRI/PEY
B–B, BZ9-methoxy- 11.0G0.7 45.9G3 DSC 1999GRI/PEY

10-methyl-anthracene
C(amorphous)–coronene 32.3 135 TDS 2004ZAC/ULB

–ovalene 48.4 203
B–B, BZC60 6.34G1.84, at 0 K 26.53G7.72 MS 2002BRA/MAL
B–B, BZC70 7.22G1.84, at 0 K 30.20G7.72 MS 2002BRA/MAL

24.1.2 Positive carbon-ion clusters/complexes

Table 24.1.2 BDEs in Positive Carbon-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
CC–C (1) 148G12 619G50 (1) MS (1) 1990PAR

IP in ref.
(3) 143.9G4.6 601.9G19.3 (3) GIB MS (3) 1999LU/TOS
CC(C)x–C
xZ1 (1) 182G16 762G67 (1) MS (1) 1990PAR
2 (1) 145 608
3 (1) 164 685
4 (1) 152 637
5 (1) 180 753
6 (1) 138 579
7 (1) 155 646
(2) 125 523 (2) MS (2) 1989RAD/RIN
8 (1) 189 791
9 (2) 178G23 745G96
10 (2) 175G23 732G96
CC(C)x–C2
xZ0 (1) 178 743 MS (1) 1989RAD/RIN
3 (2) 178 743 (2) 1990PAR
7 (2) 129 540
CC(C)x–C2
xZ39 (1) 213G4.6 891G19.3 (1) KERD (1) 2004GLU/LEU
(2) 198.3G3.5 830G14.5 (2) MF (2) 2005CON/GLU
41 (1) 217G3.2 909G13.5
(2) 202.9G3.5 849G14.5
43 (1) 217G3.9 906G16.4
(2) 198.3G3.5 830G14.5
45 (1) 221G1.8 924G7.7
(2) 205.2G3.5 859G14.5
47 (1) 229G3.9 960G16.4
(2) 209.8G3.5 878G14.5
(continued)
Table 24.1.2 (continued) BDEs in Positive Carbon-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
49 (1) 207G4.4 866G18.3

(2) 204.1G3.5 854G14.5
51 (1) 221G5.8 925G24.1
(2) 205G3.5 859G14.5
53 (1) 232G4.4 972G18.3
(2) 209.8G3.5 878G14.5
55 (1) 229G4.4 958G18.3
(2) 211.0G3.5 883G14.5
57 (1) 245.8G1.8 1028.5G7.7
(2) 228.3G3.5 955G14.5
(3) 231G4.6 965G19.3 (3) Review (3) 2001MAT/ECH
(4) 249G6.9 1042G28.9 (4) LI (4) 2003TOM/AND
(5) 236.4 989 (5) KERD (5) 2004GLU/FEI
59 (1) 196.5G3.0 822.0G12.5
(2) 198.3G3.5 830G14.5
61 (1) 202.2G2.5 846.2G10.6
(2) 215.6G4.6 902G19.3
63 (1) 214G2.5 896G10.6
(2) 211.0G4.6 883G19.3
65 (1) 219G1.8 918G7.7
(2) 214.5G6.9 897G29
67 (1) 227G2.5 951G10.6
69 (1) 206G3.0 860G12.5
71 (1) 211G1.8 884G7.7
73 (1) 212G2.5 888G10.6
75 (1) 218G3.7 910G15.4
77 (1) 224.4G2.5 938.8G10.6
(5) 255 1065
(6) 217 907 (6) KERDs (6) 2003PER/CAO
79 (1) 203G2.5 848G10.6
(5) 208 868
(6) 196 820
81 (1) 205G3.7 858G15.4
83 (1) 210G1.8 877G7.7
85 (1) 209G4.2 876G17.4
87 (1) 224G3.0 939G12.5
C2C(C)77 –C2 214.5G13.3 897G56 KERD 2004GLU/FEI

C3C(C)77 –C2 205.0G8.5 858G36
(La)CC(C)77 –C2 215.8G10.8 903G45 KERD 2006FEI/GLU

(La)C2C(C)77 –C2 222.5G11.1 931G46
(La)C3C(C)77 –C2 225.1G11.3 942G47
(La)CC(C)79–C2 204.1G10.1 854G43 KERD 2006FEI/GLU

(La)C2C(C)79–C2 204.5G10.1 856G43
(La)C3C(C)79–C2 214.0G10.6 895G44
ðTiÞ2 CC
78 –C2 208 868 KERDs 2003PER/CAO
ðScÞ3 CC
78 –C2 215 898
ðScÞ3 NCC
78 –C2 252 1055 KERD 2004GLU/FEI
ðLaÞCC
80 –C2 247 1032 KERDs 2003PER/CAO
ðTbÞCC
80 –C2 318 1331
CC(C)x–C3
xZ2 127 531 MS 1989RAD/RIN
3 120 502
4 120 502
5 122 511
6 166G23 695G96
7 173G23 724G96
CC–Ar (1) 22.5 94.2 (1) MS (1) 1979HIL/GUE

(2) 17.3 72.3 (2) ICP-MS (2) 1994NON/MAT
COC–Ar 23.1G3.5 96.5G14.6 PIPECO 2002WEI/MAH
COC
2 –Ar 6.0 25.1 PD 1983PRA/DEH
(continued)
BDEs (boldfaceZ
recommended data;
CHC
3 ðArÞx –Ar
xZ0 (1) 11.3G2.0 47.3G8 (1) HP MS (1) 1991HIR/KUD(b)
(2) 9.0–16.9 37.7–70.6 (2) PD (2) 1998OLK/NIZ
1 (1) 2.26G0.2 9.5G0.8
(2) !3.0 !12.6
2 (1) 1.97G0.2 8.2G0.8
(2) w2.0 w8.4
3 (1) 1.96G0.2 8.2G0.8
(2) w2.0 w8.4
4 (1) 1.94G0.2 8.2G0.8
(2) w2.0 w8.4
5 (1) 1.94G0.3 8.2G1.3
(2) w2.0 w8.4
6 (1) 1.94G0.4 8.2G1.7
(2) w2.0 w8.4
7 (1) w1.93 w8.1
(2) w2.0 w8.4
cyclo-C3 HC
3 –Ar 1.5, at 0 K 6.4 PD 2001SOL/DOP
(C6H6)C–Ar, p-bond (1) !1.46, !6.12 Spectroscopy (1) 1993KRA/NEU

at 0 K
(2) 1.39 5.80 (2) 1999SAT/PIE
(3) 1.39 5.81 (3) 2003SAM/LAW
(C6H5CH2)C–Ar, p-bond 1.46, at 0 K 6.12 MATI 2000GAS/LAW
(C6H5CHCH2)C–Ar 1.46, at 0 K 6.12 Derived 2000KIM
(C6F2H4)C–Ar 1.65, at 0 K 6.89 Spectroscopy 2000BEL/GAS

(C6H5F)C–Ar 0.92, at 0 K 3.84 Spectroscopy 1996GRE/NEU
( p-F-C6H4CH3)C–Ar 1.46G0.06, at 6.10G0.24 MATI 2004GEO/CHA

0K
COC
2 –Kr 17.1 71.5 PI 1985JAR/ILL(b)
CHC
3 –Kr (1) 47.7G2.5 199.6G10.5 ICR (1) 1987HOV/MCM
(2) 44.0 184.1 (2) 1988MCM/HEI
(C6H6)C–Kr !1.82, at 0 K !7.60 Spectroscopy 1993KRA/NEU
CHC
3 –Xe (2) 55.2G2.5 231.0G10.5 (1) ICR (1) 1986HOV/MCM
(3) 50.9 213.0 (2) HP MS (2) 1988MCM/HEI
CC(H)x–H
IP in ref.
(2) 95.08G0.01 397.83G0.06 (2) Spectrometry (2) 1998HEC/AMI
(3) 95 397.5 (3) Derived (3) 1999KNE/LER
(4) 95.088G 397.848G0.013 (4) PD (4) 2002HEC/WIL
0.003
(5) 90.6 379.1 (5) Spectroscopy (5) 2004RED/AHA
1 (3) 108 451.9
(6) 118.5 495.9 (6) PI (6) 1996LI/RAN(d)
2 (3) 122 510.4
(7) 130.1 544.2 (7) PI (7) 1997LI/RAN
3 (3) 42 175.7
(7) 41.7 174.6
(8) 39.3G0.1 164.5G0.4 (8) PFI-PEPICO (8) 1999WEI/MAL
CCD3–D 40.4G0.1 169.2G0.4 PFI-PEPICO 2001SON/QIA(b)
CC(Cl)x–H
xZ1 84.4 353.1 PI 1996LI/RAN(d)
2 116.7 488.2
(continued)
BDEs (boldfaceZ
recommended data;
CC(H)(Cl)x–H
xZ1 103.1 431.3 PI 1996LI/RAN(d)
2 33.2 138.9
CBrC–H 113.9G2 476.6G8.4 Derived from 2004CHI/FAN

DfH 0 in ref.
HCBrC–H 118.8G2 497.1G8.4
HCBrC
2 –H 39.7G2 166.1G8.4
HClFC
2 –H 46.1 193 UV PI 2005YAN/HUA
HCC
2 –H 137.368 574.749 PEI-PEPICO 1999JAR/WEI
[C2H2Cl]C–H 113.5G1.2 474.7G4.8 UV PI 1995SHE/QI
[C2H3O]C–H 29.7G0.5 124.5G1.9 UV PI 1999LIU/QI
CF2 CFC
3 –H 38.7G2.3 162.1G9.6 UV PI 2005YAN/HUA(b)
CHFCFC
3 –H 39.4 165 UV PI 2005HUA/YAN
CH3 CðOÞCHC
2 –H 78.6G0.7 329G2.9 UV PI 2005WEI/YAN
PC(CH3)2CH2–H 59 247 Derived from 2005BOD/KER

DfH 0 in ref.
C6 HC
5 –H (1) 88.4 369.9 (1) Derived (1) 1992GRA
(2) 89.5 374.5 (2) Combined (2) 1993KLI/FAU
(3) 85.3 357.0 (3) Derived (3) 1995HO/DUN
(4) 89.5 374.4 (4) TRPD (4) 1996DUN
(5) 89.9G1.2 376.3G4.8 (5) Kinetics (5) 2006TRO/USH
C6 HC
4 –H 96.1 402.1 Derived 1992GRA
C10 HC
7 –H 103.3 432.2 Derived 1995HO/DUN
C7 HC7 –H 48.7 203.6 TRPD 1993GOT/NAO

C11 HC9 –H 55.6 232.5
Triphenylene radical
cation
H
86.0G4.8 359.9G20 PIMS 1997LIN/LIF
CC(F)x–F
xZ0 (1) 172G9.5 721G40 (1) Derived from (1) 1996NIST
IP in ref.
(2) 179 749 (2) Derived (2) 1999KNE/LER
1 (2) 76 318
2 (2) 138 577
(CCl2F)C–F 39.2G5.8 164G24 UV PI 1997SHE/QI
CHClFC–F 47.3 198 UV PI 2005YAN/HUA
CHFCFC
3 –F 69.2G2.3 289G9.6 UV PI 2005YAN/HUA(b)
(continued)
BDEs (boldfaceZ
recommended data;
CH2 CFC
3 –F 57.9 242 UV PI 2005HUA/YAN
CC(H)x–Cl
xZ1 146.7 614 UV PI 1996LI/RAN(d)
2 131.2 549
CC(H)x(Cl)–Cl
xZ1 88.3 370 UV PI 1996LI/RAN(d)
2 18.7 78
CC(Cl)x–Cl
xZ0 (1) 149.4G2.3 625G9.6 (1) UV PI (1) 1996LI/RAN
IP in ref.
(3) 149.2 624 (3) UV PI (3) 1997LI/RAN
(4) 163 682 (4) Derived (4) 1999KNE/LER
1 (1) 62.0G2.3 260G9.6
(3) 56.0 235
(4) 48 201
2 (1) 95.5G2.3 399G9.6
(4) 108 452
3 (1)K3.0G2.3 K12.5G9.6
(CClF2)C–Cl 4.8G2.3 20.3G9.6 UV PI 1997SHE/QI
CHFC
2 –Cl 6.2 26 UV PI 2005YAN/HUA
C2 HC
3 –Cl 59.0G1.2 247G4.8 UV PI 1996ZHA/SHE
[C3H5O]C–Cl 21.0 87.8 UV PI 2001LIU/LI

o-Cl-C6 HC
4 –Cl 74.3G3.9 310.7G16.4 CID 2002MUN/HEU
p-Cl–C6 HC
4 –Cl 76.6G4.2 320.3G17.4
1-C10 HC
15 –Cl 18.4G2.3 77.2G9.6 TPEPICO 2002LI/BAE
CC–Br (1) 95.2G2.1 398G8.6 (1) Derived from (1) 1996NIST

IP in ref.
(2) 126G4 526G16.7 (2) Derived from (2) 2004CHI/FAN
DfH 0 in ref.
HCC–Br 113.8G2 476G8.4 Derived from 2004CHI/FAN

DfH 0 in ref.
H2CC–Br 123.7G2 518G8.4
CHC
3 –Br 52.83G0.05 221.04G0.19 PFI-PE 2001SON/QIA(c)
HBrCC–Br 103.4G2 432.6G8.4 Derived from 2004CHI/FAN

DfH 0 in ref.
(CH2Br)C–Br (1) 22.6 94.6 (1) UV PI (1) 1996LI/RAN(b)

(2) 23.4G2 98.1G8.4 (2) Derived from (2) 2004CHI/FAN
DfH 0 in ref.
C2 HC
3 –Br 47.9 200.6 TPEPICO 2006LAG/BAE
C2 HC
5 –Br 30.2 126.4 UV PI 1999ZHO/SHE
C6 HC
5 –Br 63.6 266.3 TRPD 1993GOT/NAO
C10 HC
7 –Br 74.5 311.6 TRPD 1993GOT/NAO
(continued)
BDEs (boldfaceZ
recommended data;
CHC
3 ðCH3 IÞx –I
xZ0 (1) 61.8 258.6 (1) UV PI (1) 1997RAN/SHU
(2) 62.98G0.07 263.50G0.29 (2) PFI-PE (2) 2001SON/QIA(c)
1 (1) 10.8 45.3
CFC
3 –I (1) 19.2G2.0 80.5G8.4 (1) Derived from (1) 1996NIST
IP in ref.
(2) 23.3G0.1 97.6G0.5 (2) Review (2) 2003AGU/PRA
CC–O (1) 193.3 808.8 (1) Derived (1) 1979HUB/HER

IP in ref.
[C2H4]C–O 84.6G0.7 354.1G2.9 UV PI 1999LIU/QI
[CH2CCH2]C–3O 328.6 1375 Derived 1998SCH/BLA
CC–S 168.9G0.5 706.6G2.1 Derived from IP 1996NIST

in ref.
–Se 152G11.7 635G49
CC–N (1) 111.8 467.9 (1) Derived (1) 1979HUB/HER

(2) 125.3G1 524.5G4.2 (2) Derived from (2) 1996NIST
IP in ref.
CC
60 –N 78–205 328–859 MIKE 2006CAO/PRE
C70–N 69–184 289–772
CC–P 140G12 587G50 Derived from IP 1996NIST

in ref.
CHC
3 –H2 (1) 40 167 Review (1) 1977KEB
(2) 44.4 186 (2) 1986KEE/CAS
CHC
5 ðH2 Þx –H2
xZ0 1.88G0.1 7.9G0.4 HP MS 1991/HIR/KUD
1 1.78G0.1 7.4G0.4
2 1.61G0.1 6.7G0.4
3 1.57G0.1 6.6G0.4
[C2H2O]C–H2 71.7G0.7 300.1G2.9 UV PI 1999LIU/QI
C2 HC
5 –H2 (1) 11.8 49.4 HP MS (1) 1976HIR/KEB
(2) 12.8 53.6 (2) 1993SZU/MCM
i-C3 HC
7 –H2 !2.5 !11 HP MS 1976HIR/KEB
C6 HC
6 –O2 3.4G0.3, at 0 K 14.2G1.2 PI 1992GRO/HAG
C6 FC
6 –O2 3.2G0.4, at 0 K 13.4G1.7
COC–N2 16.1G4.6 67.5G19.3 Kinetics 1998GLO/BAN
H2CHC(N2)x–N2
xZ0 7.6 31.8 HP MS 1982SPE/FIT
1 5.1 21.3
2 3.2 13.4
3 3.1 13.0
4 3.2 13.4
H3CC(N2)x–N2
xZ0 (1) 48.4 202.5 (1) ICR (1) 1988MCM/HEI
1 (2) 2.9G0.3 12.1G1.3 (2) HP MS (2) 2003HIR/TAK
2 (2) 2.8G0.2 11.7G0.8
3 (2) 2.7G0.3 11.3G1.3
4 (2) 2.5G0.2 10.5G0.8
5 (2) 2.2G0.2 9.2G0.8
6 (2) 1.7G0.2 7.1G0.8
(continued)
BDEs (boldfaceZ
recommended data;
7 (2) 1.5G0.4 6.3G1.7

CFC
3 ðN2 Þx –N2
xZ0 (1) 7.0 29.3 (1) HP MS (1) 1996HIR/NAS
1 (1) 5.1 21.3
2 (1) 2.0 8.4
3 (1) 1.8 7.5
4 (1) 1.5 6.3
CHC
5 –N2 6.8 28.5 HP MS 1986KEE/CAS
C2 HC5 ðN2 Þx –N2

xZ0 6.9 28.9 HP MS 1983SPE
1 4.6 19.2
cyclo-C3 HC
3 –N2 , p-bond 2.46G0.49 10.29G2.03 IR PD 2002SOL/DOP
cyclo-C3 HC
3 –N2 , s-bond 2.57G0.37 10.77G1.56
C6H6FC–N2 w2.4 w10 IR PD 2005DOP/SOL
C6 HC
7 –N2 w2.3 w9.6 IR PD 2003SOL/DOP
CHClC–F2 132.8 556 UV PI 2005YAN/HUA
CH2 CFC
2 –F2 172.5 722 UV PI 2005HUA/YAN
CClFC–HF 7.1 30 UV PI 2005YAN/HUA

CHC
3 –HF (1) 35G2 146.4G8.4 (1) HP MS (1) 1985MCM/KEB
–HCl (1) 55.1 230.5
(2) 51.7 216.3 (2) ICR (2) 1988MCM/HEI
–HBr (1) 61.2 256.1
(2) 55.4 231.8
–HI (1) 69.6 291.2
CFC
3 –HF 15.0 62.8 HP MS 1985MCM/KEB
–HCl 19.8 82.8
–HBr 21.3 89.1
–HI 31.1 130.1
(C6H6)C–HCl 7.3 30.5 PI 1985WAL/GRO
C2 HC
3 –CN 76.6 320.3 UV PI 1999LIU/QI(b)
t-C4 HC
9 –CN 38 159 EI 1970HEE/RIDt
t-C4 HC
9 –NC 4.3, at 0 K 17.9 TREPICO 2004KOI/BAE
CHC
3 –SH 81.4 340.6 Derived 1997CHE/FEN
CH3 CHC
2 –SH 45.2 189.1 Derived 1997CHE/FEN
COC(CO)x–CO
xZ0 (1) 25.4 106.1 (1) Ion reactions (1) 1971CHO/FRA
(2) 22.4 93.7 (2) PI (2) 1981LIN/ONO
(4) 45.2 189.1 (3) EI (3) 1994CHE/HOL
(4) 41.5G3.5 173.7G14.6 (4) KER (4) 2002WEI/MAH
1 (2) 3.7 15.4
(5) 12.5 52.3 (5) HP MS (5) 1991HIR/MOR
2 (5) 7.21 30.2
3 (5) 4.40 18.4
4 (5) 4.25 17.8
5 (5) 2.70 11.3
6 (5) 2.25 9.4
7 (5) 1.58 6.6
(continued)
BDEs (boldfaceZ
recommended data;
8 (5) 1.06 4.4

9 (5) 1.85 7.7
10 (5) 1.98 8.3
11 (5) 2.13 8.9
12 (5) 2.10 8.8
13 (5) 2.08 8.7
14 (5) 1.92 8.0
15 (5) 1.92 8.0
16 (5) 1.88 7.9
(HCO)C(CO)x–CO
xZ0 (1) 12.8 53.6 HP MS (1) 1979HIR/SAL
(2) 10.8 45.2 (2) 1982JEN/HEA
1 (1) 6.6 27.6
(3) 4.89 20.5 (3) 1989HIR/MOR(e)
2 (1) 6.3 26.4
(3) 4.66 19.5
3 (1) 6.2 25.9
(3) 4.46 18.7
4 (1) 5.8 24.3
(3) 4.42 18.5
5 (3) 2.39 10.0
6 (3) 2.27 9.5
7 (3) 2.20 9.2
8 (3) 2.11 8.8
9 (3) 2.00 8.4
10 (3) 1.96 8.2
11 (3) 1.89 7.9
12 (3) 1.84 7.7
13 (3) 1.79 7.5
14 (3) 1.76 7.4
CHC
3 ðCOÞx –CO
xZ0 (1) 70.6 295.4 HP MS 1997HIR/KAT
1 (1) 4.5 18.8
2 (1) 4.3 18.0
3 (1) 4.1 17.2
4 (1) 3.1 13.0
5 (1) 2.4 10.0

6 (1) 2.3 9.6
CFC
3 ðCOÞx –CO
xZ0 16.0 66.9 HP MS 1996HIR/NAS
1 6.3 26.4
2 5.8 24.3
3 5.4 22.6
4 3.2 13.4
5 2.9 12.1
6 2.6 10.9
C2 HC
4 –CO 228.5 956 Derived 1998BLA
(HCO)C(CO2)x–CO2
xZ0 12.6 52.7 HP MS 1986HIR/SHO
1 7.2 30.1
2 6.9 28.9
3 8.4 35.1
(CO2)C(CO2)x–CO2
xZ0 (1) 16.2 67.8 (1) HP MS (1) 1977MEO/FIE(b)
(2) 15.6 65.3 (2) HP MS (2) 1982STE/FUT
(3) 15.6G1.0 65.3G4.2 (3) HP MS (3) 1988HIR/NAK
(4) 15.9 66.5 (4) HP MS (4) 1988ILL
(5) 16.8 70.3 (5) EI (5) 1994CAM/AIT
1 (1) 6.0 25.1
(2) 7.4 31.0
(3) 5.6G0.3 23.4G1.3
(5) 8.3 34.7
2 (2) 6.0 25.1
(3) 5.1G0.3 21.3G1.3
(5) 5.1 21.3
3 (3) 4.8G0.3 20.1G1.3
4 (3) 4.3G0.4 18.0G1.7
5 (3) w4.0 w6.7
CHC
3 –CO2 49.4 206.7 ICR 1988MCM/HEI
(continued)
BDEs (boldfaceZ
recommended data;
C2 HC5 ðCO2 Þx –CO2

xZ0 6.5G0.2 27.2G0.8 HP MS 2003HIR/SHO
1 4.9G2 20.5G8
2 3.9G2 16.3G8
3 3.7G0.3 15.5G1.3
C3 HC
7 –CO2 5.05 21.1 HP MS 1994HIR/YAM
i-C3 HC
7 ðCO2 Þx –CO2
xZ0 4.8G0.2 20.1G0.8 HP MS 2003HIR/SHO
1 4.5G0.2 18.8G0.8
2 4.4G0.3 18.4G1.3
s-C4 HC
9 ðCO2 Þx –CO2
xZ0 4.34 18.2 Review 1994HIR/YAM
1 w3.6 w15
t-C4 HC
9 ðCO2 Þx –CO2
xZ0 3.9G0.2 16.3G0.8 HP MS 2003HIR/SHO
1 3.8G0.3 15.9G0.8
CHC
3 –N2 O 52.9 221.3 ICR 1988MCM/HEI
C2 HC5 ðN2 OÞx –N2 O

xZ0 (1) 11.7G0.2 49.0G0.8 (1) HP MS (1) 2003HIR/SHO
1 (1) 5.6G0.2 23.4G0.8
2 (1) 4.6G0.2 19.2G0.8
3 (1) 4.1G0.5 17.2G2.1
4 (1) w4.0 w17
i-C3 HC
7 ðN2 OÞx –N2 O
xZ0 (1) 5.5G0.2 23.0G0.8 (1) HP MS (1) 2003HIR/SHO
1 (1) 5.4G0.2 22.6G0.8
2 (1) 4.5G0.2 18.8G0.8

3 (1) 3.9G0.2 16.3G0.8
t-C4 HC
9 ðN2 OÞx –N2 O
xZ0 (1) 5.3G0.2 22.2G0.8 (1) HP MS (1) 2003HIR/SHO
1 (1) 5.2G0.2 21.8G0.8
2 (1) 4.9G0.3 20.5G1.3
NH2 C6 HC
5 –NO2 63.2 264.4 UV PI 1997WU/SHE
H2CHC(HCN)x–HCN
xZ0 (1) 30.1 126 HP MS (1) 1978MEO
(2) 26.1 109 (2) 1986KEE/CAS
1 (1) 13.8 58
(2) 14.4 60
2 (1) 11.8 49
3 (1) 9.2 39
H2CHC(NH3)–HCN w22 w92 HP MS 1986KEE/CAS
RC–HCN
RZn-C3H7 (1) 39.6 165.7 HP MS (1) 1991MEO/SIE
i-C3H7 (2) 30.8 128.9 (2) 1978MEO(b)
t-C4H9 (2) 16.3 68.2
RC–CNH
RZCH3 117.8G2.3 493.0G9.6 CID 2000WEN
C2H5 75.6G1.2 316.5G4.8
C2H3 91.8G1.2 384.0G4.8
tC4H9 48.7G1.4 203.7G5.8
C6H5 92.9G0.9 388.8G3.9
CHC
3 –SO2 60.6 253.6 ICR 1988MCM/HEI
(trans-2-C4H8)C–SO2 2.4G1.2 10G5 PI 1985GRO/WAL
(continued)
BDEs (boldfaceZ
recommended data;
CHC
3 –OCS 57.2 239.3 ICR 1988MCM/HEI
–CS2 60.2 251.9
(C6H6)C–CS2 12.2 51.0 HP MS 1977MEO/FIE
C2 HC5 ðOCSÞx –OCS

xZ0 (1) 24.9G2.0 104.2G8.4 (1) HP MS (1) 2005HIR/FUJ(b)
1 (1) 7.1G0.3 29.7G1.3
2 (1) 6.5G0.3 27.2G1.3
3 (1) 5.8G0.3 24.3G1.3
4 (1) w5.5 w23.0
5 (1) 5.3G0.3 22.2G1.3
6 (1) 5.2G0.2 21.8G0.8
7 (1) 4.7G0.4 19.7G1.7
CHC
3 ðH2 OÞx –H2 O
xZ0 (1) 66.6 279 (1) Review (1) 1986KEE/CAS
(1) 25 105
1 (2) 25.4 106.3 (2) HP MS (2) 1984MEO
2 (2) 21.0 87.9
3 (2) 14.8 61.9
4 (2) 11.6 48.5
5 (2) 9.1 38.1
6 (2) 9.4 39.3
7 (2) 8.9 37.2
CHC
5 –H2 O 42.5 177.8 Ion reactions 1972BEN/FIE(b)
C2HC
5 (H2O)x–H2O
xZ0 (1) 37 155 (1) HP MS (1) 1977KEB
1 (1) 24 100
2 (1) 19.2 80.3
(2) 18.7 78.2 (2) HP MS (2) 1986KEE/CAS
3 (1) 14.2 59.4

(2) 13.4 56.1
4 (1) 12.5 52.3
(2) 11.3 47.3
5 (2) 9.7 40.6
6 (1) 13.1 54.8
C2 HC
6 –H2 O 10.4 43.5 CID 1984HOL/MOM
n-C3 HC
7 ðH2 OÞx –H2 O
xZ2 17.9 74.9 HP MS 1986KEE/CAS
3 13.0 54.4
4 11.0 46.0
5 9.5 39.7
6 8.8 36.8
i-C3 HC
7 ðH2 OÞx –H2 O
xZ0 (1) 17.6 73.6 HP MS (1) 1971BEG/FIE
(2) 22.8 95.4 (2) 1977KEB
1 (1) 13.5 56.5
2 (1) 14.9 62.3
(3) 16.4 68.6 (3) 1986KEE/CAS
3 (3) 12.5 52.3
4 (3) 10.5 43.9
5 (3) 9.6 40.2
6 (3) 8.8 36.8
7 (3) w7.9 w33
t-C4 HC
9 ðH2 OÞx –H2 O
xZ0 11.2 46.9 HP MS 1977HIR/KEB
2 17.7 74.1
3 14 59
RCOC–H2O
RZCH3 24.6 102.9 HP MS 1979DAV/MEZ
C2H5 23.7 99.2
C6H5 25.8 107.9
(continued)
BDEs (boldfaceZ
recommended data;
C6 HC
6 ðH2 OÞx –H2 O
xZ0 (1) 4.0G0.4 16.7G1.7 (1) PI (1) 1995CHE/GRO
(2) 14G3 59G13 (2) IR PD (2) 2001SOL/DOP(b)
(3) 9.0G1 37.7G4 (3) Ion mobility (3) 2005IBR/MEO
1 (3) 8.0G1 33.5G4
2 (3) 8G1 33G4
3 (3) 10.3G1 43.1G4
4 (3) 8.6G1 36.0G4
5 (3) 7.8G1 32.6G4
6 (3) 9.8G1 41.0G4
7 (3) 11.1G1 46.4G4
C6H5FC–H2O w9G1 w38G4 IR PD 2005LOR/SOL
C6 HC
7 –H2 O !17 !71 Review 1986KEE/CAS
C6 H5 CHC
3 –H2 O 9.4G0.3 39.4G1.4 IR PD 2004MIY/FUJ
(trans-1-naphthol)C– 15.9G0.2 66.4G0.8 MATI 2003BRA/NEU

H2O
CHC
3 –H2 S 82.4 344.8 Review 1986KEE/CAS
CHC
5 –H2 S 42.1 176.1
sec-C3 HC
7 –H2 S 32.0 133.9 HP MS 1991MEO/SIE
C4 HC
6 –H2 S 3.7 15.5 PI 1985GRO/WAL
C4 HC
8 –H2 S 2.4 10.0
t-C4 HC
9 –H2 S 47.4 198.3 HP MS 1991MEO/SIE
[CH2O]C–CH2 86.2G2.3 360.8G9.6 UV PI 1999LIU/LI
CHC
2 –CH2 O 72.4G0.7 303.0G2.9 UV PI 1999LIU/QI
C2 HC
2 –CH2 O 291 1218 Derived 1998BLA
RC–NH3
RZCH3 103.1 431.4 Review 1986KEE/CAS
CH5 75.6 316.3
C2H5 70.1 293.3
t-C4 HC
9 –NH3 (1) 46.5 194.6 HP MS (1) 1990MEO/SIE
(2) 45.3 189.5 (2) 1991SZU/MCM
C6H5ClC–NH3 10.4G0.7 43.5G2.9 PI 1994GRO/CHE
CHC
3 –NF3 53.6 224 ICR 1988MCM/HEI
–SO2F2 55.3 231
–SO2Cl2 62.1 260
CFC
3 –CHF2 24.0G2.3 100.3G9.6 UV PI 2005YAN/HUA
CHFC
2 –CF3 18.4G2.3 77.2G9.6 UV PI 2005YAN/HUA
CH2FC–CF3 11.3 47.3 UV PI 2005HUA/YAN
CHFC
2 –CHF2 80.7 338 UV PI 2005HUA/YAN
CFC
3 –CH2 F 9.7 40.5 UV PI 2005HUA/YAN
(CH3)C–CH3 50G1 209.2G4.2 Derived 1990CAM
(continued)
BDEs (boldfaceZ
recommended data;
(CH2Br)C–CH3 67.1 281 UV PI 1999ZHO/WU
(CH3CO)C–CH3 (1) 19.7G0.02 82.5G1.0 (1) TPEPICO (1) 2004FOG/KOI

(2) 18.4G0.5 77.2G1.9 (2) UV PI (2) 2005WEI/YAN
(CH2CHO)C–CH3 72.2G0.7 302.0G2.9 UV PI 2005WEI/YAN
(H2NCH2)C–B, BZCH3 20G6 84G25 Derived 1990CAM

(HOCH2)C–B 18G3 75.3G12.6
(C6H5CH2)C–B (1) 41G4 172G16.7 (1) 1990CAM
(2) 40.2G0.3 168.3G1.2 Derived (2) 2005FER/VIG
4-Me-C6 H4 CHCHC
3 –CH3 32G2 134G8 FT-ICR 2003SEN/RIV
2;4-ðtBuÞ2 -C6 H3 CðCH3 ÞC

2 27.7 116 TRPD 1996DUN
–CH3
CHC
3 –CH4 39.8 166.5 Review 1986KEE/CAS
CFC
3 –CH4 4.6 19.0 HP MS 1972BEN/FIE(c)
(CH5)C(CH4)x–CH4
xZ0 (1) 4.1 17.2 HP MS (1) 1971FIE/BEG
(2) 7.4 31.0 (2) 1975HIR/KEB(b)
(3) 6.87G0.3 28.7G1.3 (3) 1989HIR/MOR(d)
1 (2) 5.9 24.7
(3) 5.34G0.3 22.3G1.3
2 (2) 4.1 17.2
(3) 3.14G0.2 13.1G08
3 (2) 3.9 16.3
(3) 3.02G0.2 12.6G0.8
4 (3) 2.79G0.2 11.7G0.8

5 (3) 2.71G0.2 11.3G0.8
6 (3) 2.67G0.2 11.2G0.8
7 (3) 2.04G0.2 8.5G0.8
8 (3) 1.54 6.4
N (4) w2 w8.4 (4) Extrapolate (4) This volume
(C2H5)C(CH4)x–CH4
xZ0 (1) 2.4 10.0 HP MS (1) 1971FIE/BEG
(2) 6.6 27.6 (2) 1975HIR/KEB(c)
(3) 5.50 23.0 (3) 1994HIR/YAM
1 (3) 2.37 9.9
2 (3) 2.28 9.5
3 (3) 2.26 9.5
4 (3) 2.22 9.3
5 (3) 2.21 9.2
6 (2) 2.13 8.9
7 (2) 2.10 8.8
8 (2) 2.08 8.7
9 (2) w1.91 w8
(i-C3H7)C(CH4)x–CH4
xZ0 (1) 3.4 14.2 HP MS (1) 1976HIR/KEB
(2) 2.59 10.8 (2) 1994HIR/YAM
1 (2) 2.45 10.3
2 (2) 2.26 9.5
3 (2) 2.20 9.2
4 (2) 2.20 9.2
5 (2) 2.19 9.2
6 (2) 2.16 9.0
7 (2) w1.98 w8.3
(t-C4H9)C(CH4)x–CH4
xZ0 (1) 2.48 10.4 (1) Review 1994HIR/YAM
1 (1) 2.39 10.0
2 (1) 2.37 9.9
3 (1) 2.36 9.9
4 (1) 2.21 9.2
5 (1) 2.09 8.7
6 (1) 2.05 8.6
7 (1) 1.99 8.3
(continued)
BDEs (boldfaceZ
recommended data;
8 (1) w1.86 w7.8

C6 HC
6 –CH4 2.9 12.0 PD 2003SOL/DOP
C6 HC
7 –CH4 2.7 11.4
CFC
3 ðCF4 Þx –CF4
xZ0 (1) 6.6 27.6 (1) HP MS (1) 1996HIR/NAS
1 (1) 4.9 20.5
2 (1) 2.9 12.1
3 (1) 2.8 11.7
CF4HC(CF4)x–CF4
xZ0 (1) 5.1 21.3 (1) HP MS (1) 1996HIR/NAS
1 (1) 2.8 11.7
2 (1) 2.3 9.6
3 (1) w2.3 w9.6
tC4 HC
9 –CF4 3.4 14.2 HP MS 1985SHA/HOJ
tC4 HC
9 –CHF3 6.8 28.5
CHC
3 –CH3 F 54.9 230 ICR 1988MCM/HEI
–CH3Br 63.3 265
CHC
3 –CF3 Cl 52.9 221 ICR 1988MCM/HEI
–CF3Br 53.6 224
–CF3I 60.0 251
CH2ClC(CH3Cl)x–
CH3Cl
xZ0 (1) 6.9 28.9 (1) HP MS (1) 1974LUC/MAL
1 (1) 5.7 23.8
CHC
3 ðCH3 ClÞx –CH3 Cl
xZ0 (1) 62.0 259 (1) ICR (1) 1988MCM/HEI
1 (2) 6.0 25.1 (2) HP MS (2) 1974LUC/MAL
2 (2) 5.1 21.3
RC–CH3Cl
RZC2H5 (1) 30.7 128 HP MS (1) 1978SHA/KEB
i-C3H7 (1) 22.9 95.8
t-C4H9 (2) 13.8 57.7 (2) 1985SHA/HOJ
RC–CH2Cl2
RZC2H5 36.0 151 HP MS 1985SHA/HOJ
i-C3H7 15.6 65.3
t-C4H9 9.5 39.7
t-C5H11 9.5 39.7
c-C5H11 9.8 41.0
2-norbornyl 10.6 44.4
t-C4 HC
9 –CHCl3 9.1 38.1 HP MS 1985SHA/HOJ
(aniline)C–CH3I 9.7 40.6 HP MS 1986MEO/ELS
ðC2 H2 ÞC
x –C2 H2
xZ1 22.5G1 94.1G4.2 PI 1991NG
2 14.4G1 60.2G4.2
C8 HC
6 –C2 H2 106.3 444.8 Derived 1995HO/DUN
tC4 HC
9 –CH3 OH (1) 15–21 63–88 HP MS (1) 1996NOR/MCM
(2) 15.1 63 (2) 2001MCM
(continued)
BDEs (boldfaceZ
recommended data;
tC4 HC
9 –CH3 CN (1) 20.4–35 85–146 HP MS (1) 1996NOR/MCM
(2) 20.4 85 (2) 2001MCM
H2CCCN(CH3CN)x–
CH3CN
xZ1 (1) 14.6G0.3 61.1G1.3 (1) HP MS (1) 1998WIN(b)
2 (1) 12.5G0.6 52.3G2.5
3 (1) 11.6G1 48.5G4.2
4 (1) 9.6G1 40.2G4.2
C
C3H4N(CH3CN)x–
CH3CN
xZ1 25.4G0.6 106.3G2.5 HP MS 1998WIN(b)
2 14.8G0.3 61.9G1.3
3 12.0G0.8 50.2G3.3
4 10.7G0.9 44.8G3.8
(C6H6)C(CH3CN)x–
CH3CN
xZ0 13.7 57.3 Re-anal. 1996DAL/MEO
1 11.4 47.7
(C6H5CH3)C–CH3CN 12.9 54.0 Re-anal. 1996DAL/MEO
(aniline)C–CH3CN 17.3 72.4 HP MS 1986MEO/ELS
(1-CH3-naphthalene)C– 11.3 47.3 HP MS 1987ELS/MEO

CH3CN
(HOCH2)C–CH2OH 20G5 84G21 Derived 1990CAM

(H2NCH2)C–CH2OH 14G9 59G38 Derived 1990CAM

–CH2NH2 22G12 92G50
(aniline)C–CH3NO2 14.4 60.2 HP MS 1986MEO/ELS
(1-CH3-naphthalene)C– 11.2 46.9 HP MS 1987ELS/MEO

CH3NO2
t-C4 HC
9 –SO2 F2 10.4 43.5 HP MS 1985SHA/HOJ
C2 HC
4 ðC2 H4 Þx –C2 H4
xZ0 (1) 18.2 76.1 PI (1) 1979CEY/TIE(b)
(2) 15.8G1 66.1G4.2 (2) 1991NG
1 (1) 4.2 17.6
(2) 9.2G1 38.5G4.2
2 (2) 4.6G1 19.2G4.2
C3 HC
5 –C2 H4 16.7 69.9 PI 1979CEY/TIE(b)
C4 HC
7 –C2 H4 8.7 36.4
[CH2O]C–C2H4 24.9G0.5 104.2G1.9 UV PI 1999LIU/SHE
CF2 CHC
2 –CF2 CH2 42.7G4.6 178.5G19 Kinetics 1994FAU/DUN
CHC
3 –C2 H3 O 80.9G0.7 338.7G2.9 UV PI 1999LIU/SHE
C7 HC
7 –C2 H5 39.9G0.5 166.9G2.2 Kinetics 2004FER/VIG
CH3 OCHC
2 –CH2 OCH3 15.2 63.7 UV PI 2003WAN/WU
CHC
3 –CF3 ClOCl 60.1 252 ICR 1988MCM/HEI
–CF3COCF3 58.5 245
(continued)
BDEs (boldfaceZ
recommended data;
(C2H5)C–C2H5 31G3 130G12.6 Derived 1990CAM

(C6H5CH2)C–C2H5 40G4 167G16.7
C2 HC
4 –C2 H6 15.3 64.0 HP MS 1980HIR/KEB
CHC
3 –C2 H5 Cl 71 297 HP MS 1985SHA/HOJ
C2 HC5 ðLÞx –L, LZC2H5Cl

xZ1 5.2 21.8 HP MS 1974LUC/WIN
2 4.8 20.1
C2 HC
5 –C2 H5 Cl 71 297 Derived 1985SHA/HOJ
t-C4 HC
9 –C2 H5 Cl 9.2 38.5 HP MS 1985SHA/MEZ
t-C4 HC
9 –ðCH3 Þ2 S 44.2 185 HP MS 1991MEO/SIE
C2 HC
5 –C2 H5 OH 54 226 Ion reactions 1977HIR/KEB(c)
tC4 HC
9 –C2 H5 OH (1) 20.4–38.6 85–161 HP MS (1) 1996NOR/MCM
(2) 20.4 85 (2) 2001MCM
–CH3OCH3 (1) 23.2–33.2 97–139
(2) 23.2 97
–CH3COCH3 (1) 19.2–33.5 80–140
(2) 19.2 80
C2 FC
4 ðC3 F6 Þ–C3 F6 w9.8 w41 HP MS 2002HIR/TAK
C3 FC
5 ðLÞx –L, LZC3F6
xZ0 9.2G0.3 38.5G1.3 HP MS 2002HIR/TAK
1 8.2G0.3 34.3G1.3
C3 FC
6 ðC3 F6 Þ–C3 F6 w8.9 w37 HP MS 2002HIR/TAK
C3 HC
6 –C3 H6 9.9 41.4 PI 1991NG
C7 HC
8 –C3 H6 (1) 29.5G1.4 123.5G5.8 (1) CID (1) 2003MUN/ARM
(2) 26.3G0.5 110.0G1.9 (2) Ion flow tube (2) 2006FER/VIG
C7 HC
7 –nC3 H7 (1) 39.2G2.1 164.0G8.7 (1) CID (1) 2003MUN/ARM
(2) 41.0G1.2 171.7G4.8 (2) Kinetics (2) 2006TRO/USH
i-C3 HC
7 –i-C3 H7 23G3 96.2G12.6 Derived 1990CAM
PhCHC 2 –i-C3 H7 41G4 171.5G16.7
i-C3 HC
7 –i-C3 H7 Cl 77 322 Derived 1985SHA/HOJ
cyclo-C3 HC
6 –cyclo-C3 H6 3.2 13.4 PI 1991NG
s-C3 HC
7 –C3 H8 13.6 56.9 HP MS 1989SUN/HIR
t-C4 HC
9 –C3 H8 6.6 27.6
t-C4 HC
9 ðLÞx L, LZ
iC4H8
xZ0 22.9G1 95.8G4 HP MS 1995MEO/SIE
1 24.2G1.4 101.3G6
t-C4 HC
9 –t-C4 H9 Cl 81 339 Derived 1985SHA/HOJ
t-C4 HC
9 –ðCH3 Þ3 CH (1) 7.2 30.1 HP MS (1) 1989SUN/HIR
t-C4 DC
9 –ðCD3 Þ3 CH (2) 7G0.7 29.3G2.9 (2) 1987MEO(b)
(continued)
BDEs (boldfaceZ
recommended data;
(C6H6)C– 12.6 52.7 Re-anal. 1996DAL/MEO

CH3CO(O)C2H5
tC4 HC
9 –CH3 CH2 OCH2 (1) 33.7–46.3 141–194 HP MS (1) 1996NOR/MCM
CH3 (2) 33.7 141 (2) 2001MCM
C3 FC
3 –c-C5 F8 9.3G0.3 38.9G1.3 MS 2005HIR/FUJ
C4 FC
5 –c-C5 F8 9.2G0.4 38.5G1.7
C4 FC
6 –c-C5 F8 9.6G0.3 40.2G1.3
C5 FC
7 –c-C5 F8 9.4G0.2 39.3G0.8
C5 FC
8 –c-C5 F8 10.3G0.3 43.1G1.3
(C6H6)C–c-C6H12 (1) 9.9 41.4 (1) HP MS (1) 1978MEO/HAM

(2) 4.6G0.9 19.3G3.9 (2) R2PI (2) 1994NEU/KRA
(p-NH2-C6H4N2)C–C6H5 49.1 206 UV PI 1999WU/SHE
PhCHC
2 –C6 H5 64G5 268G21 Derived 1990CAM
C2 HC
5 –C6 H6 46.5 195 Ion reactions 1982SHA/IKU
cyclo-C3 HC
3 –C6 H6 9.0 37.7 HP MS 1969FIE/HAM
i-C3 HC
7 –C6 H6 33.8 141 Ion reactions 1982SHA/IKU
t-C4 HC
9 –C6 H6 22 92
(C6H6)C(L)x–L, LZC6H6
xZ0 (1) 17.0 71.1 (1) HP MS (1) 1978MEO/HAM
(2) 20.6G1.0 86.2G4 (2) HP MS (2) 1991HIR/FUJ
(3) 15.2G0.5 63.7G1.9 (3) R2PI (3) 1994NEU/KRA

(4) 17.8 74.5 (4) Re-anal. (4) 1996DAL/MEO
(5) 17.6 73.6 (5) Ion mobility (5) 2003RUS/IBR
1 (2) 7.8G0.5 32.6G2
2 (2) w7.0 w29
(C6D6)C–C6D6 17.4 72.8 Ion mobility 2003RUS/IBR
(C6H6)C(L)x–L, LZC6H6
xZ5 (1) 8.5 35.6 (1) Photofrag. (1) 1992BEC/HEC
6 (1) 8.3 34.7
7 (1) 8.0 33.6
8 (1) 7.9 33.1
9 (1) 7.8 32.8
10 (1) 7.8 32.8
11 (1) 8.0 33.3
12 (1) 8.3 34.8
13 (1) 8.1 34.0
(C6H6)HC–C6H6 11.0 46.0 HP MS 1980MEO
RC–C6H6
RZC6H5Cl 14.0 58.6 HP MS 1978MEO/HAM
C6H7 11.0 46.0
Mesitylene 10.6 44.4
(CH3C6H5)C–C6H6 (1) 12.4 51.9 (1) HP MS (1) 1978MEO/HAM

(2) 12.2G0.5 51.1G1.9 (2) R2PI (2) 1994NEU/KRA
RHC–C6H6
RHZaniline 11.9 49.8 HP MS 1986MEO/ELS
N-methylaniline 12.3 51.5
N,N- 10.0 41.8
dimethylaniline
N,N-diethylaniline 11.2 46.9
1-CH3-naphthaleneC 9.0 37.7 HP MS 1987ELS/MEO

–C6H6
(continued)
BDEs (boldfaceZ
recommended data;
(C2H5)C–OC6H5 63G1 264G4 Derived 1990CAM
(C6H6)C–C6H5F 17.0 71.1 HP MS 1978MEO/HAM

–1,2-C6H4F2 15.2 63.6
–1,3-C6H4F2 13.9 58.2
–1,3,5-C6H3F3 12.4 51.9
–1,2,4,5-C6H2F4 12.0 50.2
–1,2,3,5-C6H2F4 11.2 46.9
–C6HF5 11.2 46.9
–C6F6 12.1 50.6
(C6H6)C–p- 8.8G0.9 36.7G3.9 R2PI 1994NEU/KRA

difluorobenzene
(C6H6)C–indole 13.1 54.8 R2PI 2003BRA/NEU
(C6H5F)C–C6H5F (1) 14.1 59.0 (1) HP MS (1) 1978MEO/HAM

(2) 7.1 29.7 (2) PI (2) 1986RUH/BIS
(1,3-C6H4F2)C–1,3- 13.2 55.2 HP MS 1978MEO/HAM

C6H4F2
(1,4-C6H4F2)C–1,4- 8.8 36.8 Multi-PI 1990ERN/KRA

C6H4F2
(C6H6)C–1,2,3,5-C6H2F4 11.2 46.9 HP MS 1987ELS/MEO
C6 FC
6 –C6 F6 7.2G1 30.1G4 HP MS 1990HIR/MIZ
(aniline)C–C6H5X
xZH 13.7 57.3 HP MS 1986MEO/ELS
F 11.7 49.0
Cl 11.7 49.0
Br 13.6 56.9
I 13.3 55.6
CN 19.4 81.2
NO2 17.7 74.1
n-Bu 13.9 58.2
MesityleneC–C6H5Cl 11.4 47.7 HP MS 1978MEO/HAM
(tC4H9)C–CH2Ph 63G1 264G4 Derived 1990CAM

(CH2Ph)C–CH2Ph 29G6 121G25
1-CH3-naphthaleneC
–C6H5CN 14.7 61.5 HP MS 1987ELS/MEO
–C6H5NO2 13.1 54.8
(aniline)C–p-xylene 14.2 59.4 HP MS 1986MEO/ELS

–mestitylene 15.3 64.0
–1,1,1-trifluoro 11.8 49.4
toluene
–hexafluoro 11.3 47.3
benzene
–hexame 17.1 71.5
thylbenze
(CH3)3CC–C6H5CH3 29.1 122 HP MS 1991STO/STO

–C6D5CD3 28.6 120
(CH3C6H5)C–C6H5CH3 14.5G0.5 60.8G1.9 R2PI 1994NEU/KRA
(CH3C6H5)C–CH3C6H5 16.0 66.9 HP MS 1978MEO/HAM

(mesitylene)C
–CH3C6H5 12.0 50.2
(continued)
BDEs (boldfaceZ
recommended data;
(p-xylene)C–p-xylene 14.3 59.8 HP MS 1978MEO/HAM

(mesitylene)C–p-xylene 14.9 62.3
(mesitylene)C–m-xylene 14.3 59.8
(aniline)C–naphthalene (1) 15.4 64.4 HP MS (1) 1987ELS/MEO

–acenaph (2) 17.5 73.2 (2) 1986MEO/ELS
thene
–acenaph (2) 17.2 72.0
thylene
–1-Br-naph (1) 15.8 66.1
thalene
–1-Me-naph (1) 15.8 66.1
thalene
–azulene (2) 14.0 58.6
C6 HC
5 –N2 C6 H5 61.6 258 UV PI 1998SHE/WU
C6 HC
5 –N2 C6 H4 -p-OH 49.8G1.2 208G4.8 UV PI 2001CHE/ZHA
p-OH-C6 HC
4 –N2 C6 H5 75.9G1.2 317G4.8 UV PI 2001CHE/ZHA
p-NH2 -C6 HC4 –N2 C6 H5 97.1G1.2 406G4.8 UV PI 1999WU/SHE

C6 HC
5 –N 2 –O–C 6 H5 127.8G2.3 535G9.6
C2 HC
5 –O-C6 H4 NO2 124.5G2.3 521G9.6 UV PI 2000WU/ZHO
CHC
3 –SðHÞC6 H5 94.9G2.9 397G12 Combined 2003NAM/FLA
–S(CH3)C6H5 108.5G2.9 454G12
–o-C6H5SCH3 97.8G2.9 409G12
–m-C6H5SCH3 85.1G2.9 356G12
–p-C6H5SCH3 101.1G2.9 423G12
(C10H8)C(C10H8)x–C10H8
xZ0 15.7 65.6 R2PI 2003FUJ/LIM
1 21.9 91.7
2 26.5 111
C3 HC
3 –B, BZ 10 42 HP MS 1969FIE
CH3CO2CH2C6H5
BHC–B 5.4 23
BC–B, BZalinine 17.5 73.2 HP MS 1986MEO/ELS

N-methylaniline 16.4 68.6
N,N-dimethylaniline 15.9 66.5
RHC–aniline
RHZN-methylaniline 16.7 69.9 HP MS 1986MEO/ELS
N,N-dimethy 14.2 59.4
laniline
(azulene)C–aniline 14.0 58.6 HP MS 1987ELS/MEO
BC–B, BZmesitylene (1) 17.2 72.0 HP MS (1) 1978MEO/HAM

BHC–B (2) 12.4 51.9 (2) 1980MEO
1-CH3-naphthaleneC–B (3) 13.9 58.2 (3) 1987ELS/MEO
BC–B, BZnaphthalene 17.8 74.5 HP MS 1980MEO

BHC–B 14.1 59.0
(biphenylene)C–B 12.6 52.7
(biphenyleneH)C–B 13.6 56.9
BC–B, BZazulene 16.3 68.2 HP MS 1980MEO
BC–B, BZ1-CH3- 18.8 78.7 HP MS 1987ELS/MEO

naphthalene
(continued)
BDEs (boldfaceZ
recommended data;
BC–B, BZfluorene 16.5 69.0 HP MS 1980MEO

BHC–B 14.4 60.2
BC–B, BZbiphenylene 16.0 66.9 HP MS 1980MEO

BHC–B 13.6 56.9
BiphenyleneC–azulene 15.9 66.5 HP MS 1980MEO
BC–B, BZacenaphthene 17.0 71.1 HP MS 1980MEO

BHC–B 14.8 61.9
BiphenyleneC–B, 14.2 59.4 HP MS 1980MEO

BZacenaphthene
BC–B 17.0 71.1
BHC–B 14.8 61.9
AzuleneC–B, 13.5 56.5 HP MS 1980MEO

BZbiphenyl
BiphenyleneC–B 13.4 56.1
(biphenylene)C– 13.3 55.6 HP MS 1987ELS/MEO

fluorene
AzuleneC–B, 14.6 61.1 HP MS 1980MEO

BZfluorene
BiphenyleneC–B 13.3 55.6
BC–B 16.5 69.0
BHC–B 14.4 60.2
BC–B, BZ1,2,3,4,5,6,7,8- 16.5 69.0 HP MS 1980MEO

octahydro-anthracene
BHC–B 14.2 59.4
BC–B, BZanthracene 16.4 68.6 HP MS 1980MEO

BHC–B 16.0 66.9
BC–B, BZphenanthrene 17.8 74.5 HP MS 1980MEO

BHC–B 15.7 65.7
BC–B, BZocthracene 16.5 69.0 HP MS 1980MEO

BHC–B 14.2 59.4
BC–B, BZpyrene 19.1 79.9 HP MS 1980MEO

BHC–B 16.5 69.0
BC–B, BZchrysene 18.2 76.1 HP MS 1980MEO

BHC–B 17.8 74.5
BC–B, BZperylene 19.7 82.4 HP MS 1980MEO

BHC–B 19.1 79.9
BC–B, BZ1,12- 21.6 90.4 HP MS 1980MEO

benzoperylene
BHC–B 21.4 89.5
BC–B, BZcoronene 23.8 99.6 HP MS 1980MEO
BC–B, BZphenalenyl 9.5 39.7 ESR 2004SMA/ZAI
BC–B, BZC60 8.58G1.84 35.89G7.72 MS 2002BRA/MAL

24.1.3 Negative carbon-ion clusters/complexes

Table 24.1.3 BDEs in Negative Carbon-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
CK–C (1) 195.5 818.2 (1) Derived (1) 1979HUB/HER

(2) 194 812 (2) Derived (2) 1990PAR
(3) 187.2G2.5 783.2G10.5 (3) Derived (3) 1991ERV/LIN
EA in ref.
CK(C)x–C
xZ1 150 628 Derived 1990PAR
2 168 704
3 150 627
4 155 647
5 143 598
6 166 695
7 138 579
8 164 685
CK–H (1) 110G7 460G29 (1) Derived (1) 1974GUR/KAR

EA in ref.
C6 HK
3 –H 81.1 339 Derived 1992GRA
CK–N (1) 239G1.5 1000G6.3 (1) Derived (1) 1974GUR/KAR

EA in ref.
CK–B 133.3G6.9 558G29 Derived from 1996NIST

EA in ref.
C6 HK
5 –H 60.9 255 Derived 1992GRA
H H
H H
H
at ortho C–H bond (1) 89.1 373 (1) Derived (1) 1992GRA
(2) 90.1G3.1 377G13.0 (2) FA TQ (2) 1996WEN/HU
meta C–H bond (2) 98.8G3.1 413G13.0
para C–H bond (2) 105.4G2.9 441G12.1
CK
60 –F 92.7 388 Derived 1997BOL/PON
CK
70 –F 94.4 395
C60FK–F 86.3 361
CK–Mo 117.4G3.8 491G16 Derived from EA 1996NIST

in ref.
(h5-C5H5)K–Co 38.7G2.9 162G12 CID 1999SUN/SQU

–Co(CO) 57.1G4.5 239G19
CClK
3 –HCl 38.6 162 Derived 1971YAM/KEB
CK–CO 76.3G4.6 319G19.3 Derived 1996ZEN/PER
C6 HK
5 –CO 44 184 Derived 1998WEN/HU
CH$K
2 –CO2 61.7G2.7 258G11.3 FA-TQ 1994WEN/SQU
CHK
3 –CO2 (1) 59.1G2.5 247G10.5 (1) FA-TQ (1) 1994WEN/SQU
(2) 57.2G1.4 239G5.8 (2) Photodetach. (2) 2004LU/CON
CHCK–H2O 16.2 67.8 HP MS 1988MEO
c-C5 HK
5 ðH2 OÞx –H2 O
xZ0 11.0 46.0 HP MS 1988MEO
1 10.0 41.8
(continued)
Table 24.1.3 (continued) BDEs in Negative Carbon-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
CFK
3 ðCF4 Þx –CF4
xZ0 (1) 3.6 15.1 (1) HP MS (1) 1995HIR/NAS
1 (1) 3.4 14.2
2 (1) 3.4 14.2
3 (1) w3.4 w14
c-C5 HK
5 ðLÞx –L, LZCD3CN
xZ0 15.5 64.9 HP MS 1988MEO
1 13.1 54.8
2 !10.2 !42.7
HCCK–CH3OH (1) 21.6 90.4 FT-ICR (1) 1999CHA/BRA

HCCK–CD3OH (2) 21.4 89.5 (2) 2000CHA/BRA
(CH3)3CCK–CH3OH 20.8 87.0 FT-ICR 1999CHA/BRA
c-C5 HK
5 –CH3 OH 13.2 55.2 HP MS 1988MEO
C6H5CCK–CH3OH (1) 13.3 55.6 (1) ICR (1) 1984CAL/ROZ

(2) 21.5 90.0 (2) FT-ICR (2) 1999CHA/BRA
4-CH3-C6H4CCK–CH3OH 21.6 90.4 FT-ICR 1999CHA/BRA
C6 HK
5 –SiF4 66.0G2.5 276G10.5 FA MS 2003KRO/LAR
–SiHF3 54.9G2.3 230G9.6
HCCK–CH3O 69.8 292 Derived 1998SCH/BLA
CHK
2 –CH2 CO 77.0 322 Derived 1998SCH/BLA
c-C5 HK
5 –CF3 CH2 OH 20.6 86.2 HP MS 1988MEO
c-C5 HK
5 ðLÞx –L,
LZCH3COCH3
xZ0 13.5 56.5 HP MS 1988MEO
1 9.8 41.0
C6 HK
5 –CH3 OSiF3 60.9G3.5 255G14.6 FA MS 2003KRO/LAR
C6H5CCK–nC3H7OH 15.4 64.4 ICR 1984CAL/ROZ
c-C5 HK
5 –tC4 H9 OH 17.0 71.1 HP MS 1988MEO
C6H5CCK–nC5H11OH 17.1 71.5 ICR 1984CAL/ROZ
c-C5 HK
5 –c-C5 H6 !8.6 !36 HP MS 1988MEO
C6 FK
6 –C6 F6 (1) 10.4G1 43.5G4 (1) HP MS (1) 1990HIR/MIZ
(2) 9.4G4.6 39.3G19.2 (2) PES (2) 1993NAK/TAG
c-C5 HK
5 –C6 H5 CH2 OH 20.6 86.2 HP MS 1988MEO
C6H5CCK–C6H5OH 19.5 81.6 HP MS 1984CAL/ROZ

–p-CH3-C6H4OH 22.3 93.3
(B)K(B)x–B,
BZnaphthalene
xZ0 6.7 28.0 PES 2002SON/HAN
(continued)
Table 24.1.3 (continued) BDEs in Negative Carbon-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
1 3.9 16.4
2 4.6 19.3
3 3.2 13.5
(An)K(An)x–An,
AnZanthracene
xZ4 2.8 11.6 PES 2003SON/LEE
5 0.9 3.9
6 0.9 3.9
24.2 Silicon and the ion clusters/complexes

24.2.1 Silicon clusters/complexes
Table 24.2.1 BDEs in Silicon Clusters/Complexes
BDEs (boldfaceZ
recommended data;
Si(crystal)–Si w30 w125 EPR 1965WAT/COR
Si(100, surf.)–Si 15.5G1.8 64.7G7.7 STM 1991MO/KLE

(phys)
Si(100, surf.)–Si 30G7 125G29 STM 1995SWA/SCH
Si(100, 2!1, surf.)–Si 22.4G2.8 93.6G11.6 STM 1995PEA/BOR

(phys)
Si(100, surf.)–Si 107 448 Review 1995SEE/ALL
Si(111, surf.)–Si (1) w4.6 (phys) w19.3 (1) HEED (1) 1993NAK/ICH
(2) 17.1G4.6 71.4G19.3 (2) STM (2) 1993VOI/ZIN
Si(111, surf.)–Si (1) w30 w125 (1) RHEED (1) 1987ICH/DOI

(2) 32 135 (2) REM (2) 1990LAT/ASE
Si(111, 7!7, surf.)–Si 18.0 (phys) 75.3 STM 2002UCH/WAT
Si(111, 7!7, surf.)–Si (1) 25.4 106 (1) LEED (1) 1974BED
(2) 30G4.6 125GG19 (2) REM (2) 1990LAT/ASE
O2Si(crystal)–Si 175G23 733G96 RBS 1995JAO/BEJ
Si(111, surf.)Ge–Si w11.5 w48.2 HEED 1993NAK/ICH
Si(100, surf.)–Ge (1) 17.5G1.6 73.3G6.8 EM/Scattering (1) 1987ALL/FEL(b)

(phys)
(2) 19.4 81.0 (2) 1990ALL/STO
Si(100, surf.)–Ge 98 410 Review 1995SEE/ALL
Si(111, surf.)–Ge 11.1G0.9 (phys) 46.3G3.9 EM/Scattering 1987ALL/FEL(b)
Si(100, surf.)–Sn 23G4.6 (phys) 96G19 EM/Scattering 1987ALL/FEL(b)
Si(100, surf.)–Sn 101.3 424 Review 1995SEE/ALL
Si(111, surf.)–Sn 7.4G0.9 (phys) 30.9G3.9 EM/Scattering 1987ALL/FEL(b)
Si(111, surf.)–Sn 82.9 347 Review 1995SEE/ALL
Si(111, surf.)–Pb 27.7 (phys) 116 STM 1995HIB/OGI
(continued)
Table 24.2.1 (continued) BDEs in Silicon Clusters/Complexes
BDEs (boldfaceZ
recommended data;
Si(111, surf.)–Pb 42 176 Review 1995SEE/ALL
Si(111, 3!1, surf.)–Li 18.4 77.2 NMR 2001KLE/FIC
SiO2(crystal)–Na 42.7 179 TPD 2000YAK/MAD
Si(100, 2!1, surf.)–K 56 234 TDS 1990TAN/TAK
Si(100, surf.)–Cs 10.8G1.2 45.3G4.8 SEI 1994MIL/AZI

(phys)
Si(100, surf.)–Cs w46 w193 SEI 1994MIL/AZI
Si(111, surf.)–Al 16 (phys) 67 SEM 1978NES/ZRA
Si(111, surf.)–Al 70 293 Review 1995SEE/ALL
Si(100, surf.)–Ga 17.5 (phys) 73.2 EM/Scattering 1987ALL/FEL
Si(100, surf.)–Ga 66.2G1.8 277G7.5 LIF 1987CAR/LEO
Si(111, surf.)–Ga 11.5 (phys) 48.1 EM/Scattering 1987ALL/FEL
Si(112, surf.)–Ga 101.5G6.9 425G29 AES 1994JUN/PRO

Si(111, 7!7, surf.)–In 16.7G1.2 69.7G4.8 PACT 1992KRA/DET

(phys)
Si(111, surf.)–In 59 247 Mol. beam 1974NGU
Si(111, 7!7, surf.)–In 44.5G2.3 186G9.6 PACT 1992KRA/DET
Si(crystal)–Cu 14.5G2.1 60.8G8.8 Photolumi- 1999NAK/IWA

nescence
Si(crystal)Cu–Cu 23.5G1.6 98.4G6.7 TDS 1998IST/HIE
Si(100, surf.)–Ag 33.4G3.7 140G15 SEM 1984HAN/FUT

(phys)
Si(100, 2!1, surf.)–Ag w83 w347 Calorimetry 2001STA/RAN
Si(111, surf.)–Ag (1) 16.1G2.8 67.5G11.6 SEM (1) 1984HAN/FUT

(phys)
(2) 9.2G1.2 38.6G4.8 (2) 1992RAY/DOU
Si(111, surf.)–Ag 56.5G1.2 236G4.8 AES 1991RAY/HAR
Si(100, surf.)–Sb2 27.7G2.3 116G9.6 STM 1993MO

(phys)
Si(100, surf.)–Sb2 80 335 Review 1995SEE/ALL
Si(100, surf.)–He (1) 0.3 1.1 Scattering (1) 1980CAR/BEC

(2) 0.2 0.7 (2) 1986SAK/CAR
Si–Ar 1.40 5.86 Spectroscopy 2002TAO/TES
(continued)
BDEs (boldfaceZ
recommended data;
Si(CH3)2F2–Ar 0.66, at 0 K 2.75 Spectroscopy 2005GIU/OTT
Si(amorp. surf.)–H
Polymeric 72.4 303.0 DSC 2006ROU/FAR
Internal voids 73.6 307.8
In bulk 75.9 317.4
Si(surf.)–H (1) 57.7G4.6 241G19.3 (1) Ion beam (1) 1993MYE/FOL

(2) 53.0G2.3 221.9G9.6 (2) Raman (2) 2005MA/HUA
Si(polycs. surf.)–H 70–80 293–335 Review 1987FRE
Si(at SiO2–Si interface)–H 80.7 338 Hot-carrier 2000CHE/LEE
Si(at SiO2, amorphous)–H (1) 100G2.2 418G9 (1) EPR (1) 1990BOB/RAD
(2) 99.7–100.6 417–421 (2) IR (2) 2003BRA/NES
a-Si(nanoparticles)–H 74.9 313 Calorimetry 2002FAR/DAS
Si(100, 2!1, surf.)–H (1) 51.2G4.6 214G19.3 (2) STM (1) 1999LIN/CHE
(2) 73.1 306 (2) Equilibrium (2) 2001RAS/HOF
Si(111, 7!7, surf.)–H 34.6G4.6 145G19.3 SHG 1991REI/HOF(b)

(phys)
Si(111, 7!7, surf.)–H (1) 55.3 232 (1) TDP (1) 1991REI/HOF
(2) 69.4 290 (2) Equilibrium (2) 2001RAS/HOF
n-GaAs(solid)Si–H 27.7G2.3 115.8G9.6 Kinetics 1991ROO/JOH
Si(surf.)–D (1) 61.6G2.3 257.6G9.6 Equilibrium (1) 1993WAM/MYE

(2) 57.4 240.2 (2) 1997WAM/MYE
Si(100, surf.)–H2 18.0 (phys) 75.3 SHG 1996HAN/HAL
Si(100, surf.)–H2 (1) 47 197 (1) LITD (1) 1989SIN/SHE

(2) 45G2 188G8.4 (2) LITD (2) 1990SIN/SHE
(3) 49G3 205G12.6 (3) TPD (3) 1994MIC/LIE
(4) 57.2G2 239G8.4 (4) TPD (4) 1995GRE/ARM
(5) 39.2G3.5 164G14.5 (5) Kinetics (5) 1999RAS/HOF
Si(100, 2!1, surf.)–H2 (1) 57.2G2.3 239G9.6 (1) Desorption (1) 1992HOF/LI
(2) 57 239 (2) TPD (2) 1993FLO/JON
(3) 57.2G2.6 239.3G10.9 (3) LITD (3) 1994OKA/WIS
(4) 49G3 205G12.6 (4) Kinetics (4) 1995GRE/LIE
(5) 42.2G4.6 176.6G19.3 (5) Equilibrium (5) 2001RAS/HOF
Si(111, surf.)–H2 34.6 145 SHG 1996HAN/HAL
Si(111, 7!7, surf.)–H2 20.1 (phys) 84.0 LEED 1995BRA/HOF
Si(111, 7!7, surf.)–H2 (1) 39–44 163–184 (1) STM (1) 1998LO/HWA
(2) 35.1G3.5 147G14.5 (2) Equilibrium (2) 2001RAS/HOF
Si(100, surf.)–D2 (1) 47 197 LITD (1) 1989SIN/SHE

(2) 45G2 188.3G8.4 (2) 1990SIN/SHE
Si(polycr. surf.)–O2 205 858 Calorimetry 1960BRE/HAY(b)
Si(111, 7!7, surf.)–O2 36.9G4.6 154G19.3 STM 1999HIL/KRA
(continued)
BDEs (boldfaceZ
recommended data;
Si(100, 2!1, surf.)–SiH 65 272 FT-IR 1988GUP/COL
Si(100, 2!1, surf.)–SiH2 43 180 FT-IR 1988GUP/COL
Si(111, surf.)–CaF2 41.5G4.6 174G19.3 STM 2002WOL
Si(100, 2!1, surf.)–NH3 11.2 47 TPD 1989DRE/TAY
Si(111, surf.)–CH3 124.5 521 PES 2005HUN/FRI
Si(100, surf.)–SiH3 2 (phys) 8 SIMS/TPD 1990GAT/GRE(b)
Si(111, 7!7, surf.)–SiH4 4 (phys) 16.7 SIMS/TPD 1990GAT/GRE
Si(111, surf.)–SiH4 (1) 20G5 84G21 (1) HEED (1) 1972HEN/HEL

(2) 36G6 151G25 (2) MS (2) 1974FAR
(3) 28.8 121 (3) Review (3) 2001RAU
Si(100, 2!1, surf.)–C2H2 w46 192 TPD 1992TAY/WAL
Si(100, 2!1, surf.)–C2H4 41.5 174 Combined 2001FIN/HUB
Si(110, surf.)–CH2CHBr 6.5 27.3 Spectroscopy 2004NAG/MUK
Si(100, surf.)–C6H6 (1) 28 117 (1) TDS (1) 1991TAG/FUG

(2) 27.7 115.8 (2) TPD (2) 2001FIN/MEN
Si(111, 7!7, surf.)–C6H6 w9.2 (phys) w38.6 TDS/STM 1998BRO/MOF
Si(111, 7!7, surf.)–C6H6 21.8 91.2 TDS 1995WOL/MOF
SiO2(surf.)–C6H6 10.5 44 NMR 1972BOD/HAU
Si(111, 7!7, surf.)–C6H5Cl 23.3G0.2 97.5G1.0 EELS 2000CAO/DEN
Si(surf.)–2-Cl–C6H4OH 3.6G1 15G4 FT-IR 2005ALD/DEL
Me3Si–Re(CO)5 71.5G2.3 299G9.6 Derived 1975BUR/STO
SiCl4–2,2 0 -bypyridine 40.6G1.7 170G7 IR/MS 2004DAV/SEV
24.2.2 Silicon-ion clusters/complexes

Table 24.2.2 BDEs in Silicon-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
SiC–Au 42G12 175G50 Derived from IP 1996NIST

–Pd 57G12 237G50 in ref.
–Pt 126G12 525G50
SiC–B (1) 58G13 243G54 (1) Derived (1) 1974GUR/KAR

IP in ref.
SiC–H (1) 90.0 377 (1) PD (1) 1981WAL

(2) 75.3G0.7 315G3 (2) Spectrom. (2) 1980CAR/COP
(3) 75.4G0.9 316G4 (3) Ion reactions (3) 1984ELK/ARM
IP in ref.
(continued)
Table 24.2.2 (continued) BDEs in Silicon-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
PhSiHC
2 –H 38 159 Ion reactions 1993NAG/MUR
SiC(F)x–F
xZ0 163.5G1.3 684.1G5.4 CID 1993FIS/KIC
1 74.3G1.6 310.9G6.7
2 145.7G1.3 609.6G5.4
3 21.3G1.5 89.1G6.3
SiC(Cl)x–Cl
xZ0 (1) 141.2G0.1 591.0G0.6 (1) Spectroscopy (1) 1998FAN/LIU
(2) 122 510 (2) Derived (2) 1999KNE/LER
1 (2) 46 192
2 (2) 116 485
3 (2) 14 58.6
SiC(CH3)2Cl–Cl 47.7G0.9 199.7G3.9 UV PI 1995SHE/QI(b)
SiC(CH3)3–Cl 42.7G0.5 178.5G1.9 UV PI 1996CHE/SHE
SiC–Br (1) 102G10 427G42 (1) Derived (1) 1974GUR/KAR

IP in ref.
SiCH3(H2)x–H2
xZ0 14.2G0.3 59.4G1.3 HP MS 1997HIR/KAT(b)
1 4.8G0.3 20.1G1.3
2 !1.5 !6.3
SiC–O (1) 114G3 477G13 (1) Derived (1) 1974GUR/KAR

(2) 114.1G3.2 478G13.4 (2) Derived from (2) 1996NIST
IP in ref.
SiC–S 92.6G1.4 387.5G6.0 Derived from IP 1996NIST

–Te 83G12 347G50 in ref.
SiC–P 65G12 272G50 Derived from IP 1996NIST

in ref.
SiC–C (1) 80G12 335G50 (1) Derived (1) 1974GUR/KAR

IP in ref.
SiC–Si (1) 90G13 377G54 (1) Derived (1) 1974GUR/KAR

IP in ref.
SiHC
3 ðCOÞx –CO
xZ0 (1) R36 R151 (1) HP MS (1) 1997HIR/KAT
1 (1) 11.1 46.4
2 (1) 2.9 12.1
3 (1) 2.8 11.7
4 (1) 2.8 11.7
5 (1) 2.8 11.7
6 (1) 2.7 11.3
7 (1) 2.7 11.3
8 (1) 2.7 11.3
9 (1) 1.7 7.1
10 (1) 1.7 7.1
SiFC
3 ðCOÞx –CO
xZ0 41.6G0.3 174.1G1.3 HP MS 2000HIR/NAS
1 15.2G0.3 63.6G1.3
(CH3)3SiC–H2O 30.1G1.9 125.9G7.9 HP MS 1986WOJ/STO
(CH3)3SiC–NH3 46.5 194.6 HP MS 1990LI/STO
SiC(CH3)(Cl)2–CH3 14.5G0.7 60.8G2.9 UV PI 1995SHE/QI(b)
SiC(CH3)2(Cl)–CH3 9.9G0.5 41.5G1.9 UV PI 1996CHE/SHE
SiC(CH3)x–CH3
xZ0 98.9G1.4 413.9G5.8 CID 1996LIN/DUN
(continued)
BDEs (boldfaceZ
recommended data;
1 29.3G11.5 123G48
2 122.7G6.5 513G27
3 15.9G1.4 66.6G5.8
SiC(CH4)x–CH4
xZ0 R35 R146 HP MS 1999HIR/NAS
1 9.0G0.3 37.7G1.3
2 3.3G0.3 13.8G1.3
SiC(SiF4)x–SiF4
xZ1 9.5G0.3 39.7G1.3 HP MS 1999HIR/NAS
2 w5 w21
SiFC(SiF4)x–SiF4
xZ0 12.4G0.3 51.9G1.3 HP MS 1999HIR/NAS
1 9.0G0.3 37.7G1.3
2 w6 w25
SiFC
2 –SiF4 25.7G0.3 107.5G1.3 HP MS 1999HIR/NAS
SiFC
3 ðSiF4 Þx –SiF4
xZ0 R35 R146 HP MS 1999HIR/NAS
1 10 42
2 w5 w21
SiF3 OHC
xZ0 9.6G0.3 40.2G1.3 HP MS 1999HIR/NAS
1 7.7G0.3 32.2G1.3
2 w5 w21
SiF3 OHC
xZ0 9.6G0.3 40.2G1.3 HP MS 2000HIR/NAS
1 7.7G0.3 32.2G1.3
SiF4HC–SiF4 18.9G0.3 79.1G1.3 HP MS 2000HIR/NAS

BC–BH,
BHZMe2SiH2 30.2 126.4 CID 2000HOP/SAU
Me3SiH 27.8 116.3
tBuSiH3 31.1 130.1
(Et)2SiH2 31.6 132.2
Et(Me)2SiH 28.4 118.8
(Et)2MeSiH 31.1 130.1
i-Pr(Me)2SiH 31.7 132.6
(Et)3SiH 29.6 123.8
t-Bu(Me)2SiH 32.2 134.7
Me3SiC–Me4Si (1) 22.3 93.3 (1) HP MS (1) 1987WOJ/LI

(2) 21.5 90.0 (2) CID (2) 2000HOP/SAU
Et3SiC–Et4Si 27.3 114.2 CID 2000HOP/SAU

ðMeÞ5 SiC
2 –ðMeÞ6 Si2 24.1 100.8
Et3SiC–Et 16.4G1.6 68.5G6.8 FT-ICR 1996LIN/DUN(b)
(CH3)3SiC–CH2CH2 23.6G0.3 98.7G1.3 HP MS 1989LI/STO

–CH2CHCH3 30.6G0.4 128.0G1.7
–trans-2-butene 30.9G0.6 129.3G2.5
–isobutene 36.5G1.1 152.7G4.6
–2-methyl-2- 38.2G0.5 159.8G2.1
butene
–2,3-dimethyl- 37.9G0.5 158.6G2.1
2-butene
–cyclohexene 32.9G1.0 137.7G4.2
–styrene 36.6G0.7 153.1G2.9
(CH3)3SiC–1-hexene 38.2 159.8 HP MS 1996ZHA/STO

–1-hexyne 25.9 108.4
–2-hexyne 28.8 120.5
–phenylace 28.2 118.0
tylene
(CH3)3SiC–CH3OH 39.2 164.0 HP MS 1986WOJ/STO

–C2H5OH 42.0 175.7
–n-C3H7OH 43.3 181.2
–i-C3H7OH 43.9 183.7
–n-C4H9OH 44.2 184.9
–n-C5H11OH 44.7 187.0
(CH3)3SiC–(CH3)2O 41.8 175 ICR 1991LIN/RID

–CH3OC6H5 41.6 174
(continued)
BDEs (boldfaceZ
recommended data;
(CH3)3SiC–(CH3)2CO (1) 45.0 188.3 (1) HP MS (1) 1986WOJ/STO

(2) 44.9 188 (2) ICR (2) 1991LIN/RID
(CH3)3SiC–(C2H5)2O 44.2 184.9 HP MS 1986WOJ/STO
(CH3)3SiC–cyclohexanone 47.6 199 ICR 1991LIN/RID
(CH3)3SiC–furan 38.0 159 ICR 1991LIN/RID

(CH3)3SiC–2-methyfuran 41.1 172
(CH3)3SiC–2,5- 43.0 180
methylfuran
(CH3)3SiC–CH3COOR
RZC2H5 48.7 203.8 HP MS 1986WOJ/STO
n-C3H7 49.4 206.7
i-C3H7 50.3 210.5
n-C4H9 49.9 208.8
n-C6H13 50.4 210.9
C6H5 48.8 204.2
(CH3)3SiC– 50.8 212.5 HP MS 1986WOJ/STO

C6H5COOC2H5
(CH3)3SiC–C6H6 (1) 23.9 100.0 HP MS (1) 1986WOJ/STO

–CH3C6H5 (1) 26.6 111.3
(2) 28.4 118.8 (2) 1991STO/STO
–CD3C6D5 (2) 31.3 131.0
(CH3)3SiC–1,2-Me2-C6H4 29.1 121.8 HP MS 1986WOJ/STO

–1,3-Me2-C6H4 29.0 121.3
–1,4-Me2-C6H4 28.2 118.0
–1,3,5-Me3-C6H3 31.0 129.7
(CH3)3SiC–CH3NH2 55.4 231.8 HP MS 1990LI/STO

–CH3CH2NH2 57.4 240.2
–CH3CH2CH2 59.5 248.9

CH2NH2
– (CH3)2NH 60.0 251.0
–CH3CH2 57.9 242.3
CH(CH3)NH
–(CH3)3CNH 58.0 242.7
SiK–H (1) 69.8G0.5 292.2G2.0 (1) PES (1) 1975KAS/HER

EA in ref.
SiK–Si (2) 92.8G1.0 388.4G4.2
24.3 Germanium clusters/complexes

24.3.1 Germanium clusters/complexes
Table 24.3.1 BDEs in Germanium Clusters/Complexes
BDEs (boldfaceZ
recommended data;
Ge(111, 2!8, surf.)–Ge O32 (phys) O134 STM 1994HWA/THE
Ge(111, surf.)–Ge 89 372 Review 1995SEE/ALL
Ge(111, surf.)–Ag 10.4 (phys) 43.5 SEM 1994VEN/PER
Ge(111, surf.)–Ag 56 234 Review 1995SEE/ALL
Ge(111, surf.)–In 41 172 TPD 1994SUN/SEE
Ge(111, surf.)–Pb 12.5G0.7 52.1G2.9 STM 1992GAN/THE
Ge(100, surf)–He 0.14, at 0 K 0.60 AES 1987LAM/TRE
(continued)
Table 24.3.1 (continued) BDEs in Germanium Clusters/Complexes
BDEs (boldfaceZ
recommended data;
Ge–Ar !1.3 !5.4 Spectroscopy 2003TAO/DAG
Ge(111, 2!8, surf)–Kr 5.6, at 0 K 23.6 TFD 1988PAC/WEB

–Xe 6.4 26.7
Ge(111, surf.)–H 61 255 Review 1979TOY/SOM
Ge(polycs. surf.)–H2 16.6 69.5 Review 1964HAY/TRA
Ge(surf.)–H2 43.8G4.6 183G19.3 FT IR 1995MYE/STE
Ge(100, 2!1, surf.)–H2 40G2 167.4G8.4 TPD-LID 1995LEW/SEG
Ge(111, surf.)–H2 18.5G2.3 (phys) 77.4G9.6 Review 1979TOY/SOM
Ge(polycr. surf.)–O2 132 552 Calorimetry 1960BRE/HAY(b)
Ge(111, surf.)–O2 64.6G11.5 270G48 Review 1979TOY/SOM
Ge(polycr. surf.)–CO O26 O109 TD 1966KLE/MOL
Ge(100, surf.)–NH3 17.9–32.3 75–135 Isosteric 2002RAN/JOS

Ge(113, surf.)–NH3 17.9 75
Ge(100, 2!1, surf.)–C2H2 30.0 (a state) 125 TPD 2002KIM/MAE

32.3 (b state) 135
Ge(100, 2!1, surf.)–C2H4 25.4 106 Combined 2001FIN/HUB
Ge(100, 2!1, surf.)–C6H6 11.5 48.2 TPD 2001FIN/MEN
Me3Ge–Co(CO)4 73.8G2.3 308.7G9.6 Derived 1975BUR/STO

Me3Ge–Re(CO)5 73.8G2.3 308.7G9.6
24.3.2 Germanium-ion clusters/complexes

Table 24.3.2 BDEs in Germanium-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
GeC–Ge (1) 65G8 272G34 (1) Derived (1) 1974GUR/KAR

(2) 67.1 280.8 (2) Review (2) 1996SMI/YAT
IP in ref.
GeC–C (1) 53G15 222G63 (1) Derived (1) 1974GUR/KAR

IP in ref.
–Si (1) 64G11 268G46
(2) 64G5 268G21
GeC–H 90G20 377G84 Derived 1974GUR/KAR
GeC–F (1) 130G6 544G25 (1) Derived (1) 1974GUR/KAR

IP in ref.
GeC–Cl 113G12 473G50 Derived 1974GUR/KAR

–Br 95G10 398G42
GeC–O (1) 106G10 444G42 Derived (1) 1974GUR/KAR

(2) 82G5 344G21 (2) 2004LAV/BLA
(continued)
Table 24.3.2 (continued) BDEs in Germanium-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
GeC–S 68G5 283G21 Derived from 1996NIST

IP in ref.
–Se 55.9G2.4 234G10
GeC–Te (1) 46G11 193G46 (1) Derived (1) 1974GUR/KAR

IP in ref.
R3GeC–H2O
RZCH3 28.6G0.5 119.7G2.1 HP MS 1987STO/WYT
n-C3H7 23.4G1.3 97.9G5.4
C4H9 20.6G1.2 86.2G5.0
(C2H5)3GeC(H2O)x–H2O
xZ0 24.9G0.5 104.2G2.1 HP MS 1987STO/WYT
1 18.4 77.0
GeK–Ge 81.7G2.4 342G10 PES 1995ARN/XU
24.4 Tin clusters/complexes

24.4.1 Tin clusters/complexes
Table 24.4.1 BDEs in Tin Clusters/Complexes
BDEs (boldfaceZ
recommended data;
Cl2Sn–SnCl2 25.5G1.5 106.8G6.2 MS 2005HIL/ROS
Me3Sn–SnMe3 61.6 257.7 MS 1971LAP/PED
Me3Sn–Co(CO)4 64.6G2.3 270G9.6 Derived 1975BUR/STO

Me3Sn–Re(CO)5 85.3G2.3 357G9.6
Sn–Ar !1.2 !5.1 Spectroscopy 2004TAO/DAG
SnO2(110, surf.)–H2CO 28 117 Re-anal. 2001MAD/IDR
Cl4Sn–CH3CHCHCHO 12.2G0.4 51.0G1.7 Calorimetry 1982CHI/MUL

–CH3CHCHC(O)OCH3 6.1G0.3 25.5G1.3
–CH3C(CH3)CHCHO 12.1G0.2 50.6G0.8
–CH3CHCHCN 5.6G0.2 23.4G0.8
(CO)5Mn–SnMe3 47.0 197 MS 1978SPA

–SnPh3 48.2 202
–SnMe2Cl 51.7 216
(h-C5H5)(CO)2Fe–SnMe3 53.0 222 MS 1978SPA

–SnPh3 59.5 249
–SnCl3 70.6 295
24.4.2 Tin-ion clusters/complexes

Table 24.4.2 BDEs in Tin-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
SnC–Sn 46.1 193 Derived 1996SMI/YAT
SnC–Cu 44G23 184G96 Derived from 1996NIST

IP in ref.
SnC–F (1) 112G12 469G50 (1) Derived (1) 1974GUR/KAR

IP in ref.
–Br (1) 80G12 335G50
(continued)
Table 24.4.2 (continued) BDEs in Tin-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
SnC–O (1) 53G15 222G63 (1) Derived (1) 1974GUR/KAR

IP in ref.
(3) 75.1 314 (3) Derived (3) 2004LAV/BLA
SnC–S (1) 55G12 230G50 (1) Derived (1) 1974GUR/KAR

IP in ref.
–Se (1) 40G12 167G50
(2) 41.6G1.5 174G6.3
–Te (1) 36G12 151G50
(2) 40.3G2.0 168.7G8.4
(CH3)3SnC–NH3 36.9 154 HP MS 1984STO/SPL

–CH3CN 37.5 157
–CH3NH2 42.1 176
–C2H5NH2 44.1 185
–N(CH3)3 45.6 191
–N(C2H5)3 45.7 191
–NH(n-C4H9)2 48.8 204
–N(n-C4H9)3 48.0 201
(CH3)3SnC–H2O 25.7 108 HP MS 1984STO/SPL

–CH3OH 32.6 136
–C2H5OH 34.8 146
–C3H7OH 35.5 149
–n-C4H9OH 36.5 153
–t-C4H9OH 36.6 153
–n-C6H13OH 37.5 157
(CH3)3SnC–(CH3)2CO 37.4 157 HP MS 1984STO/SPL

–(C2H5)2CO 39.5 165
–CH3C(O) 38.4 161
OCH3
–CH3C(O) 39.3 164
C2H5
–CH3C(O) 40.2 168

OC2H5
–CH3C(O) 40.2 168
O-n-C3H7
–CH3C(O) 41.7 175
O-n-C4H9
(CH3)3SnC–C3H7SH 34.2 143 HP MS 1984STO/SPL
(CH3)3SnC–o-xylene 29.9 125 HP MS 1984STO/SPL

–mesitylene 32.0 134
SnK–Sn 64.4G0.4 269.4G1.6 PES 1992HO/POL
SnK–Pb 43.7G1.0 182.9G4.2 Combined 2005GIG/MEL
24.5 Lead clusters/complexes

Table 24.5 BDEs in Lead Clusters/Complexes
BDEs (boldfaceZ
recommended data;
Pb(110, surf.)–Pb 15.0 (phys) 62.7 HAS 1996HOF/TOE
Pb(polycs. surf.)–H 26–27 109–113 Electrochemical 1970KRI
Pb(100, surf.)–O2 55 230 Review 1979TOY/SOM
PbC–Pb (1) 40.1 167.7 (1) Review (1) 1996SMI/YAT

IP in ref.
(continued)
Table 24.5 (continued) BDEs in Lead Clusters/Complexes
BDEs (boldfaceZ
recommended data;
PbC–F (1) 82G15 343G63 (1) Derived (1) 1974GUR/KAR

IP in ref.
PbC–Cl 68G15 285G63 Derived 1974GUR/KAR

–Br 62G15 260G63
PbC–O (1) 52G12 218G50 (1) Derived (1) 1974GUR/KAR

(2) 59.1G2.0 247G8.4 (2) Derived from (2) 2000BRE/BRE
IP in ref.
(3) 53.2 223 (3) Derived (3) 2004LAV/BLA
PbC–S (1) 55G15 230G63 (1) Derived (1) 1974GUR/KAR

(2) 70G12 293G50 (2) Derived from (2) 2000BRE/BRE
IP in ref.
–Se (1) 47G15 197G63
(2) 40.5G1.5 169.4G6.3
–Te (1) 39G15 163G63
(2) 39G12 165G50
PbC(HC
2 O)x–H2O
xZ0 (1) 22.4 93.7 (1) HP MS (1) 1972TAN/CAS
1 (1) 16.9 70.7
2 (1) 12.2 51.0
3 (1) 10.8 45.2
4 (1) 10.0 41.8
5 (1) 9.6 40.2
6 (1) 9.4 39.3
7 (1) 9.2 38.5
PbC(NH3)x–NH3
xZ0 28.3G0.2 118.4G0.8 HP MS 1989GLE/GUO
1 19.2G0.1 80.3G0.4
2 13.0G0.1 54.4G0.4
3 10.7G0.2 44.8G0.8
PbC–CH2I R103 R431 LI 1996SCH/HEI
PbC(CH3OH)x–CH3OH
xZ0 23.3G0.2 97.5G0.8 HP MS 1990GUO/CAS
1 17.2G0.3 72.0G1.3
PbC(CH3NH2)x–CH3NH2
xZ0 35.4G0.3 148.1G1.3 HP MS 1990GUO/CAS
1 19.1G0.2 79.9G0.8
PbC–C6H6 26.2G0.4 110G2 HP MS 1990GUO/CAS
PbK–Pb (1) 43.8G0.7 183.3G2.9 (1) PES (1) 1992HO/POL

(2) 32.5 135.9 (2) Review (2) 1996SMI/YAT
chapter twenty-five
BDEs in the N-, P-, As-, Sb-, Bi-clusters

and complexes
25.1 Nitrogen and the ion clusters/complexes

25.1.1 Nitrogen clusters/complexes
Table 25.1.1 BDEs in Nitrogen Clusters/Complexes
BDEs (boldfaceZ
recommended data;
N2–He 0.06, at 0 K 0.23 Scattering 1987BEN/CAS
C6H5NH2–He w0.29G0.14, 0 K w1.2G0.6 R2PI 1984BER/LAW
Pyridazine–Ne w0.2, at 0 K w0.8 Spectroscopy 2000CAM/MEL
Pyridine–Ne 0.3, at 0 K 1.2 Spectroscopy 1998MAR/CAM
Pyrimidine–Ne 0.3, at 0 K 1.3 Spectroscopy 1999CAM/FAV
Carbazole–Ne !0.61, at 0 K !2.57 SEP-R2PI 1995DRO/BUR
N2–Ar w0.3, at 0 K w1.3 Review 1976BLA/WEWI
NO–Ar (1) 0.27, at 0 K 1.15 (1) Mol. Beam (1) 1984CAS/LAG

(2) 0.25 1.06 (2) MPI (2) 1989MIL
(3) 0.25 1.05 (3) R2PI (3) 1994TSU/SHI
(4) 0.257 1.077 (4) REMPI (4) 2004PAR/CHA
(continued)
1163
Table 25.1.1 (continued) BDEs in Nitrogen Clusters/Complexes
BDEs (boldfaceZ
recommended data;
s-Tetrazine–Ar O1.1, at 0 K O4.6 LIF 1983BRU/KEN
Pyrrole–Ar 0.79, at 0 K 3.33 Spectroscopy 1995BET/BET
Pyrazole–Ar 0.8, at 0 K 3.4 Spectroscopy 1998CAM/FAV
Imidazole–Ar 0.9, at 0 K 3.7 Spectroscopy 1998CAM/MEL
Indole–Ar (1) !1.5, at 0 K !6.3 (1) PI (1) 1991OUT/BIC

(2) 1.29G0.04 5.39G0.18 (2) MATI (2) 1998BRA/GRE
1-Methylindole–Ar 1.29–1.86, 0 K 5.4–7.8 PI 1993OUT/DEM
Carbazole–Ar 1.52, at 0 K 6.35 SEP-R2PI 1995DRO/BUR
Aniline–Ar (1) 1.29, at 0 K 5.38 (1) Spectroscopy (1) 1993HIN/BER

(2) 1.18G0.08 4.95G0.33 (2) IR (2) 1999PIE/HEL
Pyridine–Ar (1) w0.66, at 0 K w2.78 Spectroscopy (1) 1989KLO/EMI

(2) 0.74 3.10 (2) 1995BET/BET
Pyrimidine–Ar 1.06, at 0 K 4.44 Spectroscopy 1985ABE/OHY
C6H5CN–Ar !0.57, at 0 K !2.39 LIF 1987KOB/KAJ
BN(surf.)–Ar (1) 2.1 9.0 (1) Adsorption (1) 1958ROS/PUL

(2) 2.0 8.3 (2) Adsorption (2) 1962PIE
(3) 2.1 8.7 (3) Virial anal. (3) 1979LEV/RYB
(4) 2.1G0.1 8.7G0.5 (4) Review (4) 1991VID/IHM
BDEs in the N-, P-, As-, Sb-, Bi-Clusters and Complexes 1165
N2–Kr w0.27 w1.13 Mol. beam 1972TUL/LEE
ON–Kr (1) 0.29, at 0 K 1.21 (1) MPI (1) 1989MIL

(2) 0.31 1.32 (2) R2PI (2) 1996BUS/DYK
Carbazole–Kr 1.97, at 0 K 8.23 SEP-R2PI 1995DRO/BUR
Benzonitrile–Kr !0.57, at 0 K !2.39 LIF 1987KOB/KAJ
Pyridine–Kr w0.92, at 0 K w3.85 Spectroscopy 1989KLO/EMI
BN(surf.)–Kr (1) 2.6 10.9 (1) Virial anal. (1) 1979LEV/RYB

(2) 2.5 10.5 (2) Review (2) 1991VID/IHM
N–Xe 6.4 26.9 Spectroscopy 1963HER/HER
ON–Xe 0.35, at 0 K 1.47 MPI 1989MIL
Carbazole–Xe 2.55, at 0 K 10.66 SEP-R2PI 1995DRO/BUR
BN(surf.)–Xe (1) 3.3 13.7 (1) Virial anal. (1) 1979LEV/RYB

(2) 3.4 14.2 (2) Review (2) 1991VID/IHM
N2–Ga (1) 3.6 15.2 (1) LIF (1) 1999GRE/HAN

(2) 4.5 19 (2) Raman/ (2) 2005HIM/HEB
UV/Vis
Cysteine(crystal)–Au 23.8 99.4 PES 2005BEE/GAR
Carbazole–CO 2.05, at 0 K 8.57 SEP-R2PI 1995BUR/DRO(b)
Pyrrole–CO 0.84, at 0 K 3.50 Spectroscopy 1995BET/BET
(continued)
BDEs (boldfaceZ
recommended data;
N2–N2 (1) w0.19 w0.8 (1) Review (1) 1976BLA/WEWI

(2) 1.57G0.05 6.57G0.21 (2) TPD (2) 2005OBE/BRO
N2–H2 w0.13 0.5 Review 1976BLA/WEWI
CN–H2 0.11 0.45 Spectroscopy 1998CHE/HEA

–D2 0.12 0.50
N2–HF (1) 1.43, at 0 K 5.98 (1) Spectroscopy (1) 1993NES/CHI

(2) 1.14G0.01 4.76G0.02 (2) Photofrag. (2) 1994BEM/BOH
(3) 1.57 6.58 (3) IR (3) 1994NES/LIN
N2–DF %1.56, at 0 K %6.54 IR 1994NES/LIN
NO–HF 1.28G0.01, at 0 K 5.36G0.07 Photofrag. 1992SHO/CAS
HCN–HF (1) 6.2 26.1 (1) Spectroscopy (1) 1980LEG/MIL

(2) 5.4G0.1 22.6G0.2 (2) Spectroscopy (2) 1987WOF/ELI
(3) 5.63G0.03 23.57G0.12 (3) Photofrag. (3) 1998OUD/MIL
CH3CN–HF 6.2G0.1 26.1G0.6 FT-IR 1987LEG/MIL

HCCCN–HF 4.9G0.2 20.4G0.7
ON–NO 2.1 (phys.) 8.7 Pyrolysis 2005PET/AND
N2–CO 1.7 7.1 TPD 2005OBE/BRO
N2–H2O 0.8G0.4 3.2G1.7 CRDS 2005COR/HOD

NH3–H2O 2.92, at 0 K 12.21 Review 1995HIL/FRA
Indole–H2O (1) 4.67G0.04 19.52G0.18 (1) MATI (1) 1998BRA/GRE

(2) 4.84G0.23 20.25G0.96 (2) DELFINE (2) 2000BRA/MEH
1-Methyl-indole–H2O 4.1G0.1 17.2G0.4 DELFINE 1999MON/DIM
3-Methylindole–H2O 4.49G0.06 18.80G0.24 MATI 2004GEO/NEU
(C6H5)(CHO)NH–H2O 5.65G0.30 23.64G1.25 PES-TOF 2001MON/DIM
L–H2O (air–water interface)

LZNH3 9.8G1.2 41G5 Combined 2000MME/HIC
CH3NH2 6.7G0.7 28G3
(CH3)2NH 8.1G0.7 34G3
(CH3)3N 8.8G0.7 37G3
NH3–HSH 2.98, at 0 K 12.47 Spectroscopy 1995HIL/FRA
HCN–HCN (1) 3.80G0.16, 0 K 15.9G0.67 Spectroscopy (1) 1977MET

(2) 4.40 18.42 (2) 1981BUX/CAM
NH3–HCN 2.92, at 0 K 12.21 Review 1995HIL/FRA
NH3–CO2 2.82, at 0 K 11.81 Review 1995HIL/FRA
NH3–SCO 2.81, at 0 K 11.75 Review 1995HIL/FRA
NH3–NO2 2.80, at 0 K 11.72 Review 1995HIL/FRA
NH3–NH3 (1) 4.5, at 0 K 18.8 (1) Spectroscopy (1) 1970LOW

(2) 2.8 11.7 (2) Spectroscopy (2) 1985NEL/FRA
(3) 4.4 18.4 (3) Review (3) 1988CUR/BLA
(continued)
BDEs (boldfaceZ
recommended data;
NH4(NH3)x–NH3
xZ0 (1) 7.8 32.8 (1) Photolysis (1) 2002NON/TAG
1 (1) 2.5 10.6
2 (1) 6.0 25.1
3 (1) 6.9 28.9
4 (1) 5.5 23.2
5 (1) 4.6 19.3
6 (1) 5.1 21.2
7 (1) 4.4 18.3
NH3–SO3 24G1 100.4G4.2 Flow reactor 1997LOV
Pyridine–AlI3 37.3G1.5 155.9G6.4 MS 2002TIM/SUV
C6H5NH2–CH4 1.37 5.74 Spectroscopy 1993HIN/BER

4-C2H5-C6H5NH2–CH4 1.66 6.94
Carbazole–CH4 1.91 8.00 SEP-R2PI 1995BUR/DRO(b)
Indole–CH3OH 5.60G0.37 23.43G1.55 Review 2002MON/DIM(b)
NH3–HCCH 2.81 11.77 Review 1995HIL/FRA
CH3CN–CH3CN (1) 5.1 21.3 (1) PVT (1) 1960PRA/CAR

(2) 5.00G0.12 20.92G0.50 (2) TC (2) 1977REN/BLA
(3) 5.2 21.8 (3) Review (3) 1988CUR/BLA
CH3NH2–CH3OH 5.59G0.2 23.4G0.8 PVT 1974MIL/MIN

(CH3)2NH–CH3OH 6.19G0.2 25.9G0.8
(CH3)3N–CH3OH (1) 5.8G0.7 24.3G2.9 (1) NMR (1) 1969CLA/GOV

(2) 7.10G0.2 29.7G0.8 (2) IR (2) 1970FIL/SWI
(3) 6.91G0.2 28.9G0.8 (3) PVT (3) 1974MIL/MIN
(4) 3.4G0.6 14.2G2.4 (4) FT-MW (4) 1996TAN/IOA
(C2H5)3NH–CH3OH 7.3 30.5 Vapor density 1976TUC/LIP
(C2H5)3N–CH3OH (1) 8.2 34.3 (1) IR (1) 1966HIR/KOZ

(2) 7.5G0.5 31.4G2.1 (2) PVT (2) 1974MIL/MIN
(CH3)2NC(O)H–CH3OH 7.6G0.3 31.8G1.3 Derived 2006BIR/HUA
(C2H5)3N–DOCD(CF3)2 6.5 27.2 Calorimetry 2003MAI/CAR

(iso-Pr)2EtN–DOCD(CF3)2 6.4 26.8
(CH3)2NC6H5–DOCD(CF3)2 2.0 8.4 Calorimetry 2003MAI/CAR
O NCH3 DOCD(CF3)2 3.3 13.8 Calorimetry 2003MAI/CAR
(CH2)2
N DOCD(CF3)2 7.4 31.0 Calorimetry 2003MAI/CAR
H3N–(CH3)3Ga (1) 15.2G1.5 63.6G6.3 Equilibrium (1) 2001PEL/CAR

(2) 16.3G0.5 68.2G2.1 (2) 2005CRE/WAN
H3N–(CH3)3In 15.0G0.6 62.8G2.5 Equilibrium 2005CRE/WAN
N2–C6H6 (1) 0.92G0.07, 0 K 3.85G0.29 (1) R2PI (1) 1991ERN/KRA

(2) 0.87–1.01 3.6–4.2 (2) Review (2) 1995GIL/PAR
NH3–C6H6 1.84G0.12, 0 K 7.70G0.50 R2PI 2002MON/DIM
(continued)
BDEs (boldfaceZ
recommended data;
Indole–C6H6 5.21G0.04, 0 K 21.81G0.18 MATI 1998BRA/GRE
3-Methylindole–C6H6 5.02G0.06, 0 K 20.99G0.24 MATI 2005GEO/NEU
NH3–C6H5Cl 2.9G0.5, at 0 K 12.0G2.2 PI 1994GRO/CHE
N2–1,4–C6H4F2 !0.69, at 0 K !2.87 Spectroscopy 1995GIL/PAR
N2–C6H5CH3 2.25, at 0 K 9.39 R2PI 2003HU/YAN
NH3–C6H5CH3 1.6–2.3, at 0 K 6.8–9.5 LIF 1997KEN/HAA

N(CH3)3–C6H5CH3 3.1G0.6 12.9G2.4
N2–C6H5OH 1.24G0.06, 0 K 5.19G0.25 MATI 1999HAI/DES
NH3–C6H5OH O6.1, at 0 K O25.5 Review 2002MON/DIM(b)
N2–C6H5NH2 1.47, at 0 K 6.16 Spectroscopy 1993HIN/BER

N2–4-C2H5-C6H5NH2 1.80 7.54
N2–pyrimidine 1.29 at 0 K 5.38 Spectroscopy 1985ABE/OHY
Py–Py, PyZpyridine 4.93 20.63 TC 1983CUR/FRU
N2–carbazole 1.79, at 0 K 7.50 SEP-R2PI 1995BUR/DRO(b)

NH3–1-naphthol 7.66G0.01, at 0 K 32.05G0.04 SEP-R2PI 1995BUR/DRO

ND3–1-naphthol 8.01G0.04 33.51G0.17
NH3–(1-naphthol) 7.66, at 0 K 32.06 R2PI 1995BUR/DRO
ND3–(1-naphthol) 8.01 33.51 R2PI 1995BUR/DRO
NO–NO 2.03G0.11 8.49G0.5 Dissociation 1991HET/CAS
cis(NO)2–nanotube interior 3.6G0.2, at 0 K 15.1G0.7 IR 2003KON/YAT
B–B, 2-pyridone 4.12 17.23 Combined 2000MUL/TAL
B–B, dimethyl-tetrazine (DMT) 3.67, at 0 K 15.36 Fluorescence 1980BRU/HAY
25.1.2 Positive nitrogen-ion clusters/complexes

Table 25.1.2 BDEs in Positive Nitrogen-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
NC
2 –He 0.4 1.7 Near UV 1992BIE/SOL
HNC
2 –He 1.2 5.0 Scattering 1996MEU/NIZ
NC
2 –Ne 1.3 5.5 PD 1991BIE/SOL
(continued)
Table 25.1.2 (continued) BDEs in Positive Nitrogen-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
NC–Ar (1) 28.1G10.6 118G44 (1) Ion (1) 1987ERV/ARM

reactions
(2) 49.8G2.3 208.4G9.6 (2) Photofrag. (2) 1991BRO/LAR
(3) 43.9 183.8 (3) ICM-MS (3) 1994NON/MAT
(4) 29G10.6 121G44 (4) CID (4) 1996HAY/FRE
NC
2 ðArÞx –Ar
xZ0 (1) 24.5 102.5 (1) HP MS (1) 1973TEN/COM
(2) 24.7 103.2 (2) PD (2) 1990KIM/BOW
(3) 26.2 109.6 (3) Review (3) 1994HIR/YAM
(4) 27.4G3.5 114.8G14.6 (4) KER (4) 2002WEI/MAH
1 (5) R3.8 R15.9 (5) HP MS (5) 1992HIR/MOR
2 (5) 1.74 7.3
3 (5) 1.68 7.0
4 (5) 1.57 6.6
5 (5) 1.56 6.5
6 (5) 1.54 6.4
7 (5) w1.53 w6.4
8 (5) w1.52 w6.4
NC
2 ðN2 ÞðArÞx –Ar
xZ0 8.4 35.1 HP MS 1997HIR/FUJ
1 1.6 6.7
2 1.5 6.3
NC
2 ðN2 Þ2 ðArÞx –Ar
1 1.3 5.4
NC
2 ðN2 Þ3 ðArÞ–Ar 7.6 31.8 HP MS 1997HIR/FUJ
ONC–Ar (1) 2.97G0.12 12.45G0.48 R2PI (1) 1984SAT/ACH

(2) 2.7 11.4 (2) 1992TAK
N2OC–Ar 1.97 8.25 PD 1992BIE/SOL(b)
N2HC(Ar)x–Ar
xZ0 (1) 8.0 33.3 PD (1) 1997NIZ/SPI
(2) 8.0 33.3 (2) 1999DOP/OLK
1 (2)O7.4 O31.1
2 (2) 1.9–3.6 7.8–15.2
3 (2) 1.9–3.6 7.8–15.2
4 (2) 1.9–3.6 7.8–15.2
5 (2) 1.9–3.6 7.8–15.2
6 (2) 1.9–3.6 7.8–15.2
7 (2) 1.5–1.9 6.2–7.9
8 (2) 1.5–1.9 6.2–7.9
9 (2) 1.5–1.9 6.2–7.9
10 (2) 1.5–1.9 6.2–7.9
11 (2) 15–1.9 6.2–7.9
N (3)w1.5 w6 (3) Extrapolate (3) This volume
NHC
3 –Ar 2.7 11.4 IRPD 2002DOP/SOL
NHC
4 –Ar w2.4 w9.9 IRPD 1997DOP/NIP
C6H5OHC–Ar 1.53G0.01 6.40G0.04 MATI 1999HAI/DES
C6H5CNC–Ar !1.2 !5.1 Derived 2000KIM
(C6H5NH2)C–Ar, p-bond 1.18G0.08 4.95G0.33 IRPD 2005DOP
(indole)C–Ar, p-bond 1.54G0.03 6.44G0.13 IRPD 1998BRA/GRE
(indole)C–Ar, s-bond 1.92G0.40 8.01G1.67 IRPD 2004SOL/DOB(b)
(imidazole)C–Ar, p-bond w1.6 w6.6 IRPD 2005AND/SOL

(imidazole)C–Ar, s-bond 2.1 9.0
(continued)
BDEs (boldfaceZ
recommended data;
NC–H (1) 80.9G0.6 339G2.9 Ion reactions (1) 1987ERV/ARM

(2) R104.13G R435.67G (2) 1997MIT/TOS
0.18 0.77
H2NC–H (1) 130.4G0.5 545.5G1.9 (1) UV PI (1) 1995QI/SHE

(2) 130.12G 544.43G0.10 (2) PFI- (2) 2001SON/QIA
0.02 PEPICO
D2NC–D 132.72G0.02 555.28G0.10 PFI-PEPICO 2004QIA/LAU
H3NC–H 123.1 515.1 ICR 1977STA/TAA
(H2NNH2)C–H 78G3 326.4G12.6 Derived 1984MEO/NEL

(MeHNNH2)C–H 79G3 330.5G12.6
(Me2NNH2)C–H 74 310
(Me2NNMe2)C–H 67 280
(n-PrMeNNMe2)C–H 69 289
(n-BuMeNNMe2)C–H 72 301
(Et2NNEt2)C–H 67 280
+
67 280
Me2NHC–H 94.5 395 ICR 1977STA/TAA

Me3NC–H 89.9 376
Me2EtNC–H 90.4 378
MeEt2NC–H 88.9 372
Et3NC–H 86.4 362
(quinuclidine)C–H 92.2 386
CH3 CH2 NHC

2 –H 103.2 432 ICR 1977STA/TAA
FCH2 CH2 NHC 2 –H 106.6 446

F2 CHCH2 NHC 2 –H 108.5 454
F3 CCH2 NHC2 –H 110.0 460
CF3(CH2)2NHC–H 110.0 460
CF3(CH2)3NHC–H 107.3 449
CF3 NMeC2 –H 90.9 380.3
CF3 CH2 NMeC 2 –H 89.3 374
(histidne)C–H 110.7G2.3 463.1G9.6 VUV 2006WIL/BEL
NC–F (1) 120G30 502G126 (1) Derived (1) 1974GUR/KAR

(2) 140G10 584G42 (2) Der. from (2) 1996NIST
IP in ref.
NC–O (1) 272.1 1138.4 (1) Spectra (1) 1979HUB/HER

(2) 275 1150 (2) Derived (2) 2003DEA/LI
NC–N (1) 201.8 844.3 (1) Derived (1) 1979HUB/HER

(2) 201.69G 843.85G0.10 (2) PI (2) 2005TAN/HOU
0.02
(imidazole)C–Zn 51.6G0.9 216.1G3.9 CID 2004RAN/AMU
N2HC(H2)x–H2
xZ0 (1) 7.2 30.1 HP MS (1) 1979HIR/SAL
(2) 5.9G0.2 24.7G0.8 (2) 1998HIR/KAT
1 (1) 1.8 7.5
(2) 1.4G0.2 5.9G0.8
3 (2) 1.6G0.2 6.7G0.8
4 (2) 2.4G0.2 10.0G0.8
5 (2) 1.5G0.2 6.3G0.8
6 (2) 1.2G0.2 5.0G0.8
7 (2) 1.2G0.2 5.0G0.8
8 (2) 0.8G0.2 3.3G0.8
(continued)
BDEs (boldfaceZ
recommended data;
ONC(O2)x–O2
xZ0 (1) 3.04 12.7 Review (1) 1994HIR/YAM
(2) 3.4 14.2 (2) 2000SIE/GRE
1 (1) 2.91 12.2
2 (1) 2.82 11.8
3 (1) 2.44 10.2
4 (1) 2.35 9.8
ONC(N2)x–N2
xZ0 (1) 5.20 21.8 (1) Irradiation (1) 1983SPE/FIT
(2) 4.61 19.3 (2) HP MS (2) 1994HIR/YAM
(3) 5.1 21.3 (3) Review (3) 2000SIE/GRE
1 (1) 4.3 18.0
(2) 4.18 17.5
2 (1) 3.46 14.5
(2) 3.81 15.9
3 (2) 3.40 14.2
4 (2) 3.22 13.5
5 (2) 3.01 12.6
6 (2) 2.78 11.6
7 (2) 2.56 10.7
8 (2) 1.89 7.9
9 (2) w1.68 w7.0
NC–N2 (1) 78.4G4.6 328.0G19.3 (1) EI (1) 1984STE/MAR

(2) 86.2G1.8 360.8G7.7 (2) CID (2) 1995HAY/FRY
(3) 72.6 303.8 (3) Review (3) 2000SIE/GRE
NC
2 ðN2 Þx –N2
xZ0 (1) 24.4 102.1 (1) MS (1) 1973TEN/CON
(2) 25.1G1.4 105.2G5.8 (2) CID (2) 1991SCH/ARM
(3) 25.8G1.5 107.9G6.3 (3) HP MS (3) 1994HIR/YAM
(4) 23.6 98.7 (4) Review (4) 2000SIE/GRE
(5) 24.4G3.5 102.3G14.6 (5) KER (5) 2002WEI/MAH
1 (3) 2.76G0.2 11.5G0.8
2 (3) 2.71G0.2 11.3G0.8
3 (3) 2.52G0.2 10.5G0.8
4 (3) 2.46G0.2 10.3G0.8

5 (3) 2.27G0.2 9.5G0.8
6 (3) 2.03G0.2 8.5G0.8
7 (3) 1.87G0.2 7.8G0.8
8 (3) 1.77G0.2 7.4G0.8
9 (3) 1.76G0.2 7.4G0.8
10 (3) 1.66G0.2 6.9G0.8
N (6) w1.3 w6 Extrapolate (6) This volume
HNC
2 ðN2 Þx –N2
xZ0 (1) 16.0 66.9 HP MS (1) 1975MEO/FIE
(2) 14.5 60.7 (2) 1979HIR/SAL
1 (1) 4.0 16.7
(3) 3.59 15.0 (3) 1989HIR/MOR(e)
2 (1) 3.8 15.9
(3) 3.43 14.4
3 (1) 3.5 14.6
(3) 3.29 13.8
4 (1) w3.2 w13.4
(3) 2.95 12.3
5 (3) 2.22 9.3
6 (3) 1.95 8.2
7 (3) 1.93 8.1
8 (3) 1.84 7.7
9 (3) 1.76 7.4
10 (3) 1.72 7.2
NC
3 ðN2 Þx –N2
xZ0 (1) 4.5G0.3 18.8G1.3 (1) HP MS (1) 1989HIR/YAM(b)
1 (1) 4.1G0.3 17.2G1.3
2 (1) 4.1G0.3 17.2G1.3
3 (1) 3.67G0.3 15.3G1.3
4 (1) 3.25G0.3 13.6G1.3
5 (1) 2.44G0.3 10.2G1.3
6 (1) 2.11G0.3 8.8G1.3
7 (1) 1.80G0.3 7.5G1.3
8 (1) 1.58G0.3 6.6G1.3
9 (1) 1.52G0.3 6.4G1.3
10 (1) 1.35G0.3 5.6G1.3
(continued)
BDEs (boldfaceZ
recommended data;
O2NC(N2)x–N2
xZ0 (1) 4.60G0.3 19.2G1.3 (1) HP MS (1) 1989HIR/YAM
1 (1) 4.46G0.3 18.7G1.3
2 (1) 4.36G0.3 18.2G1.3
3 (1) 3.73G0.3 15.6G1.3
4 (1) 3.23G0.3 13.5G1.3
5 (1) 2.05G0.3 8.6G1.3
6 (1) 1.94G0.3 8.1G1.3
7 (1) 1.84G0.3 7.7G1.3
8 (1) 1.73G0.3 7.3G1.3
9 (1) 1.71G0.3 7.2G1.3
10 (1) 1.53G0.3 6.4G1.3
11 (1) 1.52G0.3 6.4G1.3
H4NC–N2 13G5 54G21 Diffusion tube 1987GHE/FIT
C6 H5 NHC
2 –N2 , p-bond 2.00 8.37 IRPD 2002SOL/DOP(b)
C6 H5 NHC
2 –N2 , s-bond 3.15 13.16
(indole)C–N2, p-bond 2.00 8.37 IRPD 2004SOL/DOB(b)

(indole)C–N2, s-bond 4.15 17.35
(imidazole)C–N2, p-bond 1.7–2.6 7.2–10.8 IRPD 2005AND/SOL
ONC(NO)x–NO
xZ0 (1) 13.6 56.9 (1) PI (1) 1977NG/TIE(b)
(2) 13.8 57.7 (2) PI (2) 1981LIN/ONO
(3) 14.2G0.2 59.4G0.8 (3) HP MS (3) 1994HIR/YAM
(4) 13.7 57.3 (4) Review (4) 2000SIE/GRE
(5) 13.8 57.9 (5) Pyrolysis (5) 2005PET/AND
1 (2) 7.4 31.0
(3) 12.8G0.2 53.6G0.8
2 (2) 3.7 15.5
(3) 3.8G0.2 15.9G0.8
3 (2) 3.5 14.6
(3) 5.7G0.2 23.8G0.8

4 (2) 2.3 9.6
(3) 3.5G0.2 14.6G0.8
5 (3) 4.1G0.2 17.2G0.8
6 (3) 3.0G0.2 12.6G0.8
7 (3) 3.7G0.2 15.5G0.8
8 (3) 2.9G0.2 12.1G0.8
9 (3) 3.2G0.2 13.4G0.8
ONC(CO)x–CO
xZ0 (1) 6.5G0.3 27.2G1.3 (1) HP MS (1) 1999HIR/SUG
1 (1) 5.6G0.3 23.4G1.3
2 (1) 5.3G0.3 22.2G1.3
3 (1) 5.1G0.3 21.3G1.3
4 (1) 3.9G0.3 16.3G1.3
5 (1) 3.7G0.3 15.5G1.3
6 (1) 3.4G0.3 14.2G1.3
7 (1) 3.3G0.3 13.8G1.3
8 (1) 2.2G0.3 9.2G1.3
9 (1) 1.0G0.3 4.2G1.3
ONC–O3 !13.8 !58 FA 1974FEH
ONC(CO2)x–CO2
xZ0 (1) !13.8 !58 (1) FA (1) 1971DUN/FEH
(2) 8.6 36.0 (2) HP MS (2) 1988ILL
(3) 7.7 32.2 (3) HP MS (3) 1994HIR/YAM
1 (3) 7.4 31.0
2 (3) 7.2 30.1
3 (3) 5.7 23.8
4 (3) 5.2 21.8
5 (3) w5.0 w21
(L)NCH3–CO2
LZCH3 13.2 55.2 HP MS 1978MEO
C2H5 11.2 46.9
NOC(ON2)x–ON2
xZ0 (1) 7.7 32.2 HP MS (1) 1988ILL
(2) 8.7G0.2 36.4G0.8 (2) 1994HIR/FUJ
(continued)
BDEs (boldfaceZ
recommended data;
1 (2) 7.7G0.2 32.2G0.8

2 (2) 7.1G0.2 29.7G0.8
3 (2) 5.9G0.2 24.7G0.8
4 (2) 5.5G0.2 23.0G0.8
5 (2) 4.8G0.2 20.1G0.8
6 (2) w4.6 w19
N2OC(ON2)x–ON2
xZ0 (1) 13.1 54.8 (1) PI (1) 1981LIN/NG
(2) 14.1 58.9 (2) AE (2) 1994CAM/AIT
(3) 17.4G1.5 72.8G6.3 (3) HP MS (3) 1994HIR/FUJ
1 (2) 5.1 21.2
(3) 5.7G0.2 23.8G0.8
2 (2) 2.8 11.6
(3) 5.6G0.2 23.4G0.8
3 (3) 4.4G0.2 18.4G0.8
4 (3) 4.1G0.2 19.8G0.8
5 (3) w3.9 w16.3
HC(ON2)x–ON2
xZ1 (1) 16.7G1.0 69.9G4 (1) HP MS (1) 1994HIR/FUJ
2 (1) 6.4G0.2 26.8G0.8
3 (1) 5.8G0.2 24.3G0.8
4 (1) 5.4G0.2 22.6G0.8
5 (1) 5.0G0.2 20.9G0.8
6 (1) w4.8 w20
NHC
4 –NH2 1.2G1.2 5.0G4.8 PIMS 1988TOM
HC(HCN)x–HCN
xZ1 (1) 30.0 125.5 HP MS (1) 1878MEO(b)
(2) 26.1 109.2 (2) 1989MEO/SPE
2 (1) 13.8 57.7
(2) 14.4 60.2
3 (1) 11.8 49.4
4 (1) 9.2 38.5

HC(HCN)x(H2O)–HCN
xZ1 18.8 78.7 HP MS 1989MEO/SPE
2 15.6 65.3
HC(HCN)(H2O)2–HCN 16.9 70.7 HP MS 1989MEO/SPE
(H4N)C(HCN)x–HCN
xZ0 (1) 21.9 91.6 (1) HP MS (1) 1986MEO/SPE
1 (1) 17.4 72.8
2 (1) 13.7 57.3
3 (1) 11.0 46.0
4 (1) 7.9 33.1
5 (1) 7.4 31.0
(H3N)2HC(HCN)x–HCN
xZ0 (1) 14.2 59.5 (1) HP MS (1) 1994DEA/KNU
1 (1) 12.2 51.0
2 (1) 12.8 53.6
3 (1) 8.6 36.0
(H3N)3HC(HCN)x–HCN
xZ0 13.4 56.1 HP MS 1994DEA/KNU
1 11.2 46.9
(CH3H2)NHC–B, BZHCN 20.8 87.0 HP MS 1985SPE/MEO

((CH3)3)NHC–B 16.8 70.3
((C3H7)3)NHC–B 13.8 57.7
HCNHC–B, BZHCN 26.1 109.2 HP MS 1985SPE/MEO

(HCC)CNHC–B 23.8 99.6
(CD3)CNHC–B 22.1 92.5
n-C3H7CNC–HCN 20.1 84.1 HP MS 1985SPE/MEO
(continued)
BDEs (boldfaceZ
recommended data;
ONC(H2O)x–H2O
xZ0 (1) 18.5 77.4 (1) HP MS (1) 1973FRE/HIL
(2) 22.7 95 (2) MS (2) 1982BUR/HAY
1 (1) 16.1 67.4
2 (1) 13.5 56.5
O2NC–H2O (1) w21.2 w89 (1) Electron (1) 1975FEH/HOW

attach.
(2) 14.8G2.3 61.9G9.6 (2) CID (2) 1993SUN/SQU
(ON2)C–H2O (1) 13.8 57.9 (1) PD (1) 1992GRA/KIM

(2) 33.0G2.8 138.0G11.6 (2) CID (2) 1997BAS/DRE
(HCN)HC(H2O)x–H2O
xZ0 27.4 114.6 HP MS 1989MEO/SPE
1 21.4 89.5
2 17.2 72.0
(HCN)2HC(H2O)x–H2O
xZ0 20.1 84.1 HP MS 1989MEO/SPE
1 16.9 70.7
H4NC(H2O)x–H2O
xZ0 (1) 17.3 72.4 HP MS (1) 1973PAY/CUN
(2) 19.9 83.3 (2) 1984MEO
(3) 20.6G1 86.2G4.2 (3) 1986MEO/SPE
(4) 21.2G4.3 88.7G18 (4) 1992HON/SUN
1 (1) 14.7 61.5
(3) 17.4G1 72.8G4.2
2 (1) 13.4 56.1
(2) 12.2 51.0
(3) 13.7G1 57.3G4.2
3 (1) 12.2 51.0
(2) 10.8 45.2
4 (1) 9.7 40.6

(2) 10.6 44.4
5 (2) 9.1 38.1
6 (2) 8.4 35.1
H4NC(NH3)(H2O)x–H2O
xZ0 (1) 12.9 54.0 (1) HP MS (1) 1973PAY/CUN
1 (1) 12.7 53.1
2 (1) 12.2 51.0
H4NC(NH3)2(H2O)x–H2O
xZ0 12.4 51.9 HP MS 1973PAY/CUN
1 11.7 49.0
H4NC(NH3)3–H2O 11.7 49.0 HP MS 1973PAY/CUN
H4NC(NH4I)(H2O)x–H2O
xZ0 (1) 13.3 55.6 MS 2004BLA/PES
1 (1) 12.2 51.0
2 (1) 10.0 41.8
3 (1) 9.5 39.7
(H2NCHO)HC(H2O)x–H2O
xZ0 (1) 21.2 88.7 (1) HP MS (1) 1984MEO(b)
1 (1) 14.0 58.6
2 (1) 11.8 49.4
3 (1) 9.7 40.6
4 (1) 9.9 41.4
CH3NHC
3 (H2O)x–H2O
xZ0 (1) 18.8G0.3 78.7G1.3 HP MS (1) 1981LAU/KEB
(2) 16.8 70.3 (2) 1984MEO(b)
1 (1) 14.6G0.3 61.1G1.3
(2) 14.6 61.1
2 (1) 12.4G0.8 51.9G3.3
(2) 12.3 51.5
3 (2) 10.3 43.1
(continued)
BDEs (boldfaceZ
recommended data;
4 (2) 9.0 37.7

5 (2) 8.5 35.6
(HCCCNH)C–H2O 23.3 97.5 HP MS 1985SPE/MEO
(CH3CN)HC(H2O)x–H2O
xZ0 (1) 24.8 103.8 (1) HP MS (1) 1984MEO(b)
(2) 22.1G1.4 92.5G5.9 (2) CID (2) 1993HON/SUN
1 (1) 17.5 73.2
(2) 15.0 62.8
2 (1) 15.6 65.3
3 (1) 11.2 46.9
4 (1) 10.4 43.5
5 (1) 10.1 42.3
(C2H5CN)2HC(H2O)x–H2O
xZ0 15.9 66.5 HP MS 1986DEA/MEO
1 15.3 64.0
2 10.3 43.1
(CH3NCH)C–H2O 14.8G0.7 61.9G2.9 HP MS 1997MEO/SIE

(CH3CNCH3)C–H2O 10.0G0.8 41.8G3.4
CF3CH2NHC
2 (H2O)x–H2O
xZ0 21.1G0.2 88.3G0.8 HP MS 1981LAU/KEB
1 17.3G0.2 72.4G0.8
2 14.2G0.1 59.4G0.4
C2H5NHC
3 (H2O)x–H2O
xZ0 17.5G0.4 73.2G1.7 HP MS 1981LAU/KEB
1 14.7G0.2 61.5G0.8
2 13.2G1.2 55.2G5.0
(OH(CH2)2NH3)C(H2O)x
–H2O
xZ0 15.4 64.4 HP MS 1980MEO/HAM
1 13.4 56.1
2 9.8 41.0
3 8.3 34.7
(OH(CH2)3NH3)C(H2O)x
–H2O
xZ0 13.3 55.6 HP MS 1980MEO/HAM
1 11.6 48.5
2 9.9 41.4
3 9.9 41.4
(CH3)2NHC
2 (H2O)x–H2O
xZ0 (1) 15.0 62.8 (1) HP MS (1) 1984MEO(b)
1 (1) 13.5 56.5
2 (1) 11.3 47.3
3 (1) 10.5 43.9
4 (1) 9.4 39.3
5 (1) w8.4 w35
n-C3H7NHC
3 (H2O)x–H2O
xZ0 (1) 15.1 63.2 (1) HP MS (1) 1980MEO/HAM
(2) 15.6 65.3 (2) ES MS (2) 1996BLA/KLA
1 (1) 11.6 48.5
2 (1) 10.3 43.1
3 (1) 9.9 41.4
CH3C(O)HCN(CH3)2
(H2O)x–H2O
xZ0 16.5 69.0 HP MS 1984MEO(c)
1 12.3 51.5
2 9.3 38.9
(CH3)3NHC(H2O)x–H2O
xZ0 14.5 60.7 HP MS 1984MEO(b)
1 11.4 47.7
2 10.0 41.8
3 w8.4 w35
(continued)
BDEs (boldfaceZ
recommended data;
NC(CH3)4(H2O)x–H2O
xZ0 9.0 37.7 HP MS 1985MEO/DEA
1 w9.4 w39.3
(n-C3H7CN)HC–H2O 19.2 80.3 HP MS 1985SPE/MEO

(i–C3H7CN)HC–H2O 19.2 80.3
NH2 (CH2 )2 NHC3

ðH2 OÞx –H2 O
xZ0 14.7 61.5 HP MS 1980MEO/HAM
1 12.0 50.2
2 11.0 46.0
NH2 (CH2 )3 NHC3

ðH2 OÞx –H2 O
xZ0 11.4 47.7 HP MS 1980MEO/HAM
1 9.9 41.4
2 10.4 43.5
3 w9.4 w39.3
NH2 (CH2 )4 NHC

3 (H2 O)–H2 O 11.0 46.0 HP MS 1980MEO/HAM
(AcAlaOCH3)
HC(H2O)x–H2O
xZ0 13.0 54.4 HP MS 1984MEO(c)
1 12.4 51.9
2 9.5 39.7
AcZCH3CO
AlaZNHCH(CH3)CO
NC(C2H5)4–H2O 7.0 29.3 HP MS 1985MEO/DEA
((C2H5)3)NHC–B, BZH2O 13.2 55.2 HP MS 1983MEO/SIE

((nC3H7)3)NHC–B 12.5 52.3

((nC4H9)3)NHC–B 13.6 56.9
CH3 CO2 C2 H4 N(CH3 )3C 8.0 33.5 HP MS 1999DEA/MEO

–H2 O
nC6 H13 NHC

3 –H2 O 15.2 63.6 ES MS 1996BLA/KLA
C6H5CNHC–H2O 18.9 79.1 HP MS 1985SPE/MEO
C6H5C(O)HCN(CH3)2–H2O 15.1 63.2 HP MS 1984MEO(c)
(B)HC–H2O
BZaziridine 27.4 114.7 Derived 2002BOU/CHO
acetaldimine 4.9 20.7
azetidine 24.0 100.4
propanimine 12.1 50.8
pyrrolidine 6.1 25.7
butanimine 13.6 56.7
piperidine 0.8 3.3
pentanimine 14.4 60.2
H3 N(CH2 )5 NH32C
ðH2 OÞx –H2 O
xZ0 w18.6 w77.8 ES MS 1996BLA/KLA
1 w18.4 w77.0
H3 N(CH2 )6 NH32C
ðH2 OÞx –H2 O
xZ0 17.8 74.5 ES MS 1996BLA/KLA
1 17.3 72.4
H3 N(CH2 )7 NH32C
ðH2 OÞx –H2 O
xZ0 17.8 74.5 ES MS 1996BLA/KLA
1 17.2 72.0
(continued)
BDEs (boldfaceZ
recommended data;
H3 N(CH2 )8 NH32C
ðH2 OÞx –H2 O
xZ0 16.9 70.7 ES MS 1996BLA/KLA
1 16.8 70.3
H3 N(CH2 )9 NH32C
ðH2 OÞx –H2 O
xZ0 16.5 69.0 ES MS 1996BLA/KLA
1 16.3 68.2
H3 N(CH2 )10 NH32C

ðH2 OÞx –H2 O
xZ0 16.8 70.3 ES MS 1996BLA/KLA
1 16.8 70.3
H3 N(CH2 )12 NH32C

ðH2 OÞx –H2 O
xZ0 15.7 65.7 ES MS 1996BLA/KLA
1 15.7 65.7
(MeN(CH2)2NMe3)2C
(H2O)x–H2O
xZ0 12.7 53.1 ES MS 1996BLA/KLA
1 12.2 51.0
(Me3N(CH2)3NMe3)2C
(H2O)x–H2O
xZ0 11.0 46.0 ES MS 1996BLA/KLA
1 10.7 44.8
(Me3N(CH2)4 w10 w42 ES MS 1996BLA/KLA

NMe3)2C–H2O
(pyridine)HC(H2O)x–H2O
xZ0 (1) 15.0 62.8 HP MS (1) 1979DAV/SUN
1 (2) 16.1 67.4 (2) 1983MEO/SIE
(1) 9.6 40.2
2 (1) 8.3 34.7
(Y-pyridine)C–H2O
YZ4–CN 16.0 66.9 HP MS 1979DAV/SUN
4–CH3 14.7 61.5
4–(CH3)2N 12.0 50.2
(Y-pyridine)C–H2O
YZ2-i-C3H7 14.2 59.4 HP MS 1983MEO/SIE
2-t-(C4H9) 14.2 59.4
2,6-(CH3)2 13.2 55.2
2,6-(C2H5)2 13.0 54.4
2,6-(i–C3H7)2 12.8 53.6
2,6-(t–C4H9)2 12.5 52.3
(pyrrole)HC–H2O 13.8 57.7 HP MS 1987HIR/TAK

(pyrrole)C–H2O 11.7 49.0
(pyrrolidine)HC(H2O)x
–H2O
xZ0 13.7 57.3 HP MS 1987HIR/TAK
1 13.0 54.4
(Y-aniline)HC–H2O
YZH 15.1 63.2 HP MS 1981LAU/NIS
m-F 14.8 61.9
m-Cl 14.8 61.9
m-OH 12.5 52.3
m-CN 17.3 72.4
o-NH2 13.9 58.2
m-NH2 9.9 41.4
p-NH2 14.7 61.5
m-CF3 16.1 67.4
m-CH3 13.5 56.5
m-CH3O 10.4 43.5
m-CH3S 10.6 44.4
m-C2H5 13.2 55.2
(continued)
BDEs (boldfaceZ
recommended data;
C6H5N(CH3)2HC–H2O 10.9 45.6 HP MS 1986KEE/CAS
(Proline)HC–H2O 18.9G1.0 79.1G4.2 HP MS 1974MEO/FIE

(Valine)HC–H2O 19.3G1.0 80.8G4.2
(Indole)C–H2O (1) 13.7, at 0 K 57.3 (1) MATI (1) 1998BRA/GRE

(2) 13.7 57.3 (2) IRPD (2) 2000UNT/JAN
(3-Methylindole)C–H2O 13.3 55.8 MATI 2004GEO/NEU
(Imidazolyl)HC
(H2O)x–H2O
xZ0 (1) 14.8 61.9 (1) HP MS (1) 1988MEO(c)
(2) 16.6G0.9 69.4G3.6 (2) IRPD (2) 2006AND/SOL
1 (1) 12.6 52.7
2 (1) 12.2 51.0
(n-C10H21NH3)C
(H2O)x–H2O
xZ0 14.8G0.3 61.9G1.3 Equilibrium 2003LIU/WYT
1 12.1G0.3 50.6G1.3
2 9.6G0.3 40.2G1.3
3 7.5G0.3 31.4G1.3
4 6.7G0.3 28.0G1.3
(Arginine) HC–H2O 9.0 37.7 Equilibrium 2003WYT/BOW

(Arginine-OMe) HC–H2O 9.2 38.5
GlyHC(H2O)x–H2O,
GlyZglycine
xZ0 (1) 18.4G2.6 77.2G11.0 (1) ESI (1) 2005NON/IWA
1 (1) 11.5G2.6 48.2G11.0
2 (1) 9.5G2.6 39.8G11.0
3 (1) 8.3G2.6 34.8G11.0

4 (1) 9.2G2.0 38.3G8.2
5 (1) 10.7G1.9 44.7G8.1
6 (1) 11.1G1.8 46.6G7.7
7 (1) 11.2G1.7 46.7G7.0
8 (1) 11.7G1.6 49.1G6.8
9 (1) 12.0G1.4 50.1G5.7
10 (1) 11.8G1.0 49.5G4.2
11 (1) 11.9G1.0 49.8G4.3
12 (1) 11.9G0.9 49.6G3.7
13 (1) 11.3G0.8 47.2G3.2
14 (1) 11.0G1.1 46.1G4.6
TrpHC(H2O)x–H2O,
TrpZtryptophan
xZ0 (1) 7.4G0.6 31.2G2.5 (1) ESI (1) 2005NON/IWA
1 (1) 7.2G0.6 30.3G2.5
2 (1) 7.7G0.9 32.4G4.0
3 (1) 8.7G1.2 36.4G5.0
4 (1) 9.9G1.5 41.4G6.2
5 (1) 10.4G1.4 43.3G5.9
6 (1) 10.5G1.5 44.1G6.3
7 (1) 11.3G1.3 47.1G5.4
8 (1) 10.8G0.9 45.3G3.9
9 (1) 11.0G1.0 45.9G4.2
10 (1) 11.0G0.9 46.0G4.0
11 (1) 11.1G0.7 46.6G3.0
12 (1) 11.1G0.5 46.4G2.1
13 (1) 10.9G0.2 45.5G1.0
14 (1) 10.8G0.2 45.1G1.0
TrpGlyHC(H2O)x–H2O,
TrpGlyZtryptophanylglicine
xZ0 (1) 13.4G1.3 56.0G5.3 (1) ESI (1) 2005NON/IWA
1 (1) 11.8G1.3 49.3G5.3
2 (1) 10.9G0.6 45.7G2.7
3 (1) 11.5G0.7 48.3G2.9
4 (1) 11.8G0.9 49.3G3.8
5 (1) 12.6G1.0 52.8G4.1
6 (1) 12.6G0.6 52.6G2.4
7 (1) 12.8G0.2 53.7G1.0
8 (1) 13.3G0.2 55.7G1.0
9 (1) 13.4G0.2 56.2G1.0
10 (1) 13.0G0.2 54.3G1.0
(continued)
BDEs (boldfaceZ
recommended data;
11 (1) 12.4G0.2 51.8G1.0

12 (1) 11.9G0.2 49.9G1.0
13 (1) 11.3G0.2 47.5G1.0
14 (1) 10.9G0.2 45.6G1.0
(Ala–Ala)HC(H2O)x–H2O
1 10.5G0.3 43.9G1.3
2 8.9G0.3 37.2G1.3
3 7.8G0.3 32.6G1.3
4 6.8G0.3 28.5G1.3
Ala–AlaZHO(O)CH
(CH3)NH–C(O)CH
(NH2)CH3
(N3-Ac-Lys) HC(H2O)x–
H2O
xZ0 10.1G0.3 42.3G1.3 Equilibrium 2004LIU/WYT(b)
1 8.9G0.3 37.2G1.3
2 7.7G0.3 32.2G1.3
N3-Ac-LysZlysine with
acetylated amino group in
3-position (side chain)
(Na-Ac-Lys) HC
(H2O)x–H2O
1 8.4G0.3 35.1G1.3
2 8.3G0.3 34.7G1.3
3 7.2G0.3 30.1G1.3
Na-Ac-LysZlysine with
acetylated amino group in
a-position
(Na-Ac-Lys-OMe)
HC(H2O)x–H2O
1 7.8G0.3 32.6G1.3
2 7.1G0.3 29.7G1.3
(Ac-AAKAA) HC(H2O)x–
H2O
1 7.4G0.7 31.0G2.9
AcZacetyl, AZalanine,
KZlysine
(Ac-AAKAA) HC–H2O, 6.9G0.7 28.9G2.9 Equilibrium 2004LIU/WYT(b)

KZlysine
(Ac-Ax) HC–H2O
xZ4 6.9 28.9 Equilibrium 2004LIU/WYT(b)
6 5.8 24.3
8 4.9 20.5
20 !4.3 !18.0
AcZacetyl, AZalanine
(AAA) HC(H2O)x–H2O
1 11.3G0.3 47.3G1.3
2 8.7G0.3 36.4G1.3
3 7.1G0.3 29.7G1.3
4 7.6G0.3 31.8G1.3
AZalanine
(AAAAA) HC(H2O)x–H2O
1 8.5G0.3 35.6G1.3
2 9.0G0.3 37.7G1.3
3 8.6G0.3 36.0G1.3
AZalanine
(RAAAA) HC(H2O)x–H2O
1 7.8G0.3 32.6G1.3
2 7.1G0.3 29.7G1.3
3 8.4G0.3 35.1G1.3
RZarginine, AZalanine
(continued)
BDEs (boldfaceZ
recommended data;
(AARAA) HC(H2O)x–H2O
1 8.4G0.3 35.1G1.3
(Ac-AARAA) HC
(H2O)x–H2O
1 8.1G0.3 33.9G1.3
AcZacetyl, RZarginine,
AZalanine
(AARAA-OMe)
HC(H2O)x–H2O
1 8.4G0.3 35.1G1.3
2 7.6G0.3 31.8G1.3
(AAAAR-OMe)
HC(H2O)x–H2O
1 7.8G0.3 32.6G1.3
H4NC–H2S 11.4 47.7 HP MS 1985MEO/SIE

(CH3)H3NC–H2S 10.8 45.2
H3NC(NH3)x–NH3
xZ0 (1) 18.1 75.7 (1) PI MS (1) 1977NG/TRE
(2) 23.1 96.7 (2) EI (2) 1982STE/FUT(b)
1 (2) 9.2 38.5
(3) 9 37.7 (3) EI (3) 1989BRE/TZE
HC(NH3)x–NH3
xZ1 (1) 27 113.0 (1) HP MS (1) 1968SEA/KEB
(2) 25.4 106.3 (2) HP MS (2) 1975TAN/CAS
(3) 26.9 112.5 (3) HP MS (3) 1991MEO/SIE
(4) 26.0 108.8 (4) Review (4) 1992MEO
(5) 25.6 107.1 (5) HP MS (5) 1994DEA/KNU
2 (1) 17 71.1
(2) 17.3 72.4
(4) 16.6 69.5
(6) 16.2 67.8 (6) HP MS (6) 1974ARS/FUT
3 (1) 16.5 69.0
(6) 13.5 56.5
(2) 14.2 59.4
(4) 13.7 57.3
(7) 14 58.6 (7) MKER (7) 1990WEI/TZE
4 (1) 14.5 60.7
(6) 11.7 49.0
(2) 11.8 49.4
(4) 11.7 49.0
(7) 12 50
5 (1) 7.5 31.4
(6) 7.0 29.3
(4) 7.0 29.3
(5) 7 29
6 (6) 6.5 27.2
(4) 6.5 27.2
(7) 6 25
7 (7) 5 21
8 (7) 5 21
9 (7) 4 17
10 (7) 4 17
11 (7) 5 21
12 (7) 4 17
13 (7) 5 21
14 (7) 4 17
15 (7) 4 17
16 (7) 4 17
H4NC(H2O)x–NH3
xZ1 18.4 77.0 HP MS 1973PAY/CUN
2 18.2 76.1
3 17.3 72.4
H4NC(NH3)(H2O)x–NH3
xZ1 17.1 71.5 HP MS 1973PAY/CUN
2 15.7 65.7
(continued)
BDEs (boldfaceZ
recommended data;
H4NC(NH3)2(H2O)–NH3 15.0 62.8 HP MS 1973PAY/CUN
(HCN)xHC(NH3)x–NH3
xZ1 18.9 79.1 HP MS 1994DEA/KNU
2 12.9 54.0
(CH3CN)xHC(NH3)x–NH3
xZ0 (1) 15.5 64.9 (1) MKER (1) 1991TZE/WEI
1 (1) 13.6 56.9
2 (1) 7.4 31.0
3 (1) 6.9 28.9
4 (1) 6.0 25.1
5 (1) 5.5 23.0
6 (1) 6.0 25.1
7 (1) 5.5 23.0
H3 N(CH2 )x NHC
3 –NH3
xZ10 20.3 84.9 MS 2002PES/BLA
12 19.5 81.6
(NHC3 )(CH3 )–NH3 21.4 89.5 HP MS 1973YAM/KEB

((CH3 )NHC2 )(CH3 )–NH3 20.6 86.2
((CH3)3)NHC–NH3 17.3 72.4 HP MS 1984MEO(b)

((C2H5)3)NHC–NH3 16.3 68.2
(C5H5)NHC–NH3 17.3 72.4
(C5H9)O2NC–NH3 20.6 86.2 HP MS 1974MEO/FIE(b)

(C5H12)O2NC–NH3 20.9 87.4
H4NC(MeOCH2)2–NH3 14.0G0.8 58.6G3.4 HP MS 1996MEO/SIE

(valine)HC–NH3 20.9G1.0 87.4G4.2 HP MS 1974MEO/FIE

(proline)HC–NH3 20.6G1.0 86.2G4.2
HCNHC–HC(O)H 27.4 114.6 HP MS 1985SPE/MEO
NHC
4 –NCCN %10.4 %43.5 HP MS 1985SPE/MEO
NHC
4 –CH4 3.6 15.0 HP MS 1972BEN/FIE
CH3 NHC
3 –CH3 F 11.8 49.4 HP MS 1984MEO
–CH3Cl 10.7 44.8
–CH3Br 11.2 46.9
ONC–CH3Cl 18.5 77.4 FT-ICR 1997CAC/PET
N(CH3 )C
4 –CH3 Cl 6.5 27.2 HP MS 1985MEO/DEA
C6 H5 NHC
3 –CH3 I 9.3 38.9 HP MS 1986KEE/CAS
ONC–CH3OH (1) 30.2 126.4 (1) PA (1) 1984LIA/LIB

(2) 23.3 97.5 (2) FT-ICR (2) 1997CAC/PET
O2NC–CH3OH 19.2G2.3 80.3G9.6 CID 1993SUN/SQU
MeCNHC(MeOH)(MeCN) 13.7 57.3 HP MS 1991ELS/OLA

–MeOH
CH3NCHC–CH3OH 19.0G0.8 79.5G3.4 HP MS 1997MEO/SIE
CH3 NHC
3 –CH3 OH 19.0 79.5 HP MS 1984MEO
(continued)
BDEs (boldfaceZ
recommended data;
(CH3)3NHC(B)x–B,
BZCH3OH
xZ0 15.1 63.2 HP MS 1992ELS/DAL
1 11.7 49.0
2 10.5 43.9
(CH3)4NC(B)x–B,
BZCH3OH
xZ0 9.8 41.0 HP MS 1985MEO/DEA
1 9.2 38.5
(indole)C –CH3OH 14.64G0.44 61.25G1.84 Review 2002MON/DIM(b)
CH3 NHC
3 (CH3 CN)x –CH3 SH
xZ0 13.4 56.1 HP MS 1985MEO/SIE
1 22.7 95.0
2 16.5 69.0
HC(B)x–B, BZCH3CN
xZ1 (1) 30.2 126.4 (1) HP MS (1) 1978MEO(b)
(2) 29.8 124.7 (2) HP MS (2) 1985SPE/MEO
(3) 31.1G2.3 130.1G9.6 (3) CID (3) 1993HON/SUN
2 (4) 9.3 38.9 (4) HP MS (4) 2000WIN
ONC(B)x–B, BZCH3CN
xZ0 (1) 26.4G2 110.5G8.4 (1) FT-ICR (1) 1995CAC/PET
(2) 26.2G1.1 109.6G4.6 (2) HP MS (2) 2000WIN
1 (2) 19.2G1.1 80.3G4.6
2 (2) 17.7G1.1 74.1G4.6
3 (2) 14.1G1.1 59.0G4.6
4 (2) 8.9G0.6 37.2G2.5
O2NC(B)x–B, BZCH3CN
xZ0 (1) 24.8G1.2 103.8G5.0 (1) HP MS (1) 2000WIN
1 (1) 16.9G0.9 70.7G3.8
2 (1) 15.6G1.1 65.3G4.6

3 (1) 2.2G1.1 51.0G4.6
4 (1) 8.8G1.1 36.8G4.6
H4NC(B)x–B, BZCH3CN
xZ0 27.6 115.5 HP MS 1991LIE/ROM
1 21.2 88.7
2 14.2 59.4
3 11.7 49.0
CH3 NHC
3 (B)x –B, BZCH3CN
xZ0 (1) 24.5 102.5 HP MS (1) 1984MEO
(2) 26.2 109.6 (2) 1985MEO/SIE
1 (1) 17.9 74.9
(2) 18.6 77.8
2 (1) 13.4 56.1
(CH3)2NC–CH3CN 26.2 109.6 HP MS 1985SPE/MEO
CH3 NHC 3 (CH3 SH)–CH3 CN 19.9 83.3 HP MS 1986KEE/CAS

C6 H5 NHC3 –CH3 CN 17.2 72.0
CH3CNHC–CD3CN 30.2 126.4 HP MS 1997MEO/SIE
(CD3 CN)C
2 –CD3 CN 15.2 63.7 CERMS 2003MAI/FED
H4NC–CH3NC 24.1G1.7 100.7G7.0 HP MS 1997MEO/SIE

CH3 NHC 3 –CH3 NC 23.8G0.8 99.7G3.2
(CH3 )2 NHC 2 –CH3 NC 20.6G0.3 86.2G1.4
(CH3)3NHC–CH3NC 19.5G0.8 81.6G3.2
CH3NCHC(CH3NC) 25.2G1.0 105.5G4.0
–CH3NC
CH3 NHC
3 –HCðOÞOH 19.0 79.5 HP MS 1984MEO
(continued)
BDEs (boldfaceZ
recommended data;
NHC
4 –HCCCN 22.9 95.8 HP MS 1985SPE/MEO
CD3 NHC
3 –HCCCN 24.0 100.4
HCCCNHC–HCCCN 27.4 114.6
NHC
4 –CH2 CH2 10 41.8 HP MS 1985DEA/MEO
BHC–B, BZCH2CHCN 30.7 128.4 HP ME 1991MEO/SIE
CH3 NHC
3 –HCðOÞNH2 30.0 125.5 HP MS 1984MEO(c)
HC(B)x–B, BZCH3NH2
xZ1 (1) 21.7 90.8 (1) HP MS (1) 1973YAM/KEB
(2) 25.4 106.3 (2) HP MS (2) 1992MEO
(3) 26.8G1.0 112.1G4.2 (3) VG MS (3) 1999NOR/MCM
2 (2) 16.0 66.9
(4) 19.2 80.3
3 (2) 13.4 56.1
4 (4) 17.0 71.1 (4) HP MS (4) 1982HOL/CAS
(2) 7.8 32.6
NHC4 –CH3 NH2 w32 w134 HP MS 1973YAM/KEB

(CH3 )2 NHC
2 –CH3 NH2 22.4 93.7
NC(CH3)4–CH3NH2 8.7 36.4 HP MS 1985MEO/DEA
CD3 NHC
3 –CH3 NH2 26.9G1.0 112.5G4.2 MS 1999NOR/MCM
–CD3NH2 27.0G1.0 113.0G4.2
(AcAlaOCH3)HC–CH3NH2 28.6 119.7 HP MS 1984MEO(c)

AcZCH3CO
AlaZNHCH(CH3)CO
BHC–B, BZHC(O)NH2 28.8 120.6 FT-ICR 1997WIT/GRU

CH3(O)NH2 28.8 120.6
C2H5(O)NH2 25.6 107.1
neo-C5H11 27.0 113.0
(O)NH2
HC(O)N(CH3)2 26.3 110.0
CH3(O)N 26.5 111.0
(CH3)2
C2H5(O)N 22.8 95.5
(CH3)2
neo-C5H11 20.5 85.9
(O)N(CH3)2
ONC(B)x–B, BZCH3NO2
xZ0 (1) 24.9 104.2 (1) FT-ICR (1) 1997CAC/PET
(2) 25.2G0.9 105.4G3.8 (2) HP MS (2) 1998WIN
1 (2) 19.5G1.3 81.5G5.4
2 (2) 14.9G1.1 62.3G4.6
3 (2) 12.4G1.2 51.9G5.0
O2NC(B)x–BZCH3NO2
xZ0 22.1G0.9 92.5G3.8 HP MS 1998WIN
1 19.2G1.1 80.3G4.6
2 15.5G1.6 64.9G6.7
3 12.8G1.3 53.6G5.4
(valine)HC–B, BZCH3NO2 19.8G1.5 82.8G6.5 HP MS 1974MEO/FIE

(proline)HC–B 17.5G1.5 73.2G6.5
ONC–C2H5Cl 19.6 82.0 FT-ICR 1997CAC/PET

–CH2(CN)2 19.6 82.0
ONC–(CH2)2O 26.9 112.5 FT-ICR 1997CAC/PET
ONC–CH3C(O) H (1) 41.1 172 (1) ICR (1) 1981REE/FRE

(2) 27.6 115.5 (2) FT-ICR (2) 1997CAC/PET
(CH3NH2)HC–CH3C(O)OH 22.0 92.0 HP MS 1984MEO
(continued)
BDEs (boldfaceZ
recommended data;
(AcAlaOCH3)HC 18.1 75.7

–CH3C(O)OH
AcZCH3CO
AlaZNHCH(CH3)CO
CH3C(O)HCN(CH3)2– 18.4 77.0 HP MS 1984MEO(c)

CH3C(O)OH
(NH4)C–HO(CH2)xOH
xZ2 28.9G1 121G4 HP MS 1998STO/CAR
3 33.2G1.2 139G5
4 33.0G1 138G4
ONC–C2H5OH 35.2 147.3 PA 1984LIA/LIE
CH3NCH3–C2H5OH 21.3 89.1 HP MS 1984MEO
NHC
4 –C2 H5 SH 38.9 162.8 HP MS 1973YAM/KEB
CH3 NHC
3 –C2 H5 SH (1) 14.6 61.1 HP MS (1) 1985MEO/SIE
(2) 15.5 64.9 (2) 1986KEE/CAS
ONC–C2H5CN 27.6 115.5 FT-ICR 1997CAC/PET
CH3 NHC
3 –C2 H5 CN 24.5 102.4 HP MS 1997MEO/SIE
(C2H5CN)2HC–C2H5CN 25.2G0.8 105.4G3.4
CH3 NHC
3 –C2 H5 NC 23.8G0.6 99.5G2.7 HP MS 1997MEO/SIE
(C2H5NC)2HC–C2H5NC 25.2G0.8 105.4G3.4
ONC–C2H5NO2 26.9 112.5 FT-ICR 1997CAC/PET
(C2H5NO2)HC–C2H5NO2 31 129.7 HP MS 1979MEO/HUN
ONC–iso-C3H7Cl 21.4 89.5 FT-ICR 1997CAC/PET
ONC –CH3ONO2 20.7 86.6 FT-ICR 1997CAC/PET

–C2H5ONO2 22.7 95.0
–iso-C3H7ONO2 24.3 101.7
ONC–(CH3)2CO (1) 46.2 193 (1) ICR (1) 1981REE/FRE

(2) 41.0 171.5 (2) Review (2) 1986KEE/CAS
(3) 31.1 130.1 (3) FT-ICR (3) 1997CAC/PET
H4NC(B)x–B, BZ(CH3)2CO
xZ0 (1) 28.3G1.5 118.4G6.3 (1) HP MS 1996MEO/SIE
1 (1) 20.3G0.7 84.9G2.9
2 (1) 15.8G0.3 66.1G1.3
3 (1) 13.1G1.5 54.8G6.2
4 (1) 10.1 42.3
CH3 NHC
3 –ðCH3 Þ2 CO 24.0 100.4 HP MS 1984MEO
NC(CH3)4(B)x–B,
BZ(CH3)2CO
xZ0 14.6 61.1 HP MS 1985MEO/DEA
1 13.0 54.4
2 11.7 49.0
NC(C2H5)4–(CH3)2CO 12.4 51.9 HP MS 1985MEO/DEA
CH3NCHC–(CH3)2CO 21.2G1.1 88.7G4.6 HP MS 1997MEO/SIE
MeCO2(CH2)2NCMe3 13.2G0.3 55.2G1.3 HP MS 1999DEA/MEO

–Me2CO
(continued)
BDEs (boldfaceZ
recommended data;
HC(B)xCH3–B,
BZCH3NHCH3
xZ0 (1) 20.8 87.0 (1) HP MS (1) 1973YAM/KEB
(2) 24.1 100.8 (2) HP MS (2) 1992MEO
(3) 25.7 107.5 (3) VG MS (3) 1999NOR/MCM
1 (2) 16.4 68.6
2 (2) 9.9 41.4
3 (2) 7.9 33.1
4 (2) 6.3 26.4
CD3NCH2CH3
–CH3NHCH3 25.8 107.9 MS 1999NOR/MCM
–CD3NHCH3 26.0 108.8
CH3NCH3–CH3NHCH3 27.5 115.1 HP MS 1973YAM/KEB

(CH3)3NHC–CH3NHCH3 20.5 85.8
ONC–C2H5CHO (1) 43.3 181 (1) ICR (1) 1981REE/FRE

(2) 38.1 159.4 (2) Review (2) 1986KEE/CAS
ONC–CH3COOCH3 (1) 45.0 188 (1) ICR (1) 1981REE/FRE

(2) 39.8 166.5 (2) Review (2) 1986KEE/CAS
CH3 NHC
3 –CH3 COOCH3 23.5 98.3 HP MS 1984MEO
N(CH3 )C
4 (B)x –B,
BZ(CH3)2CO2
xZ0 12.1G0.3 50.6G1.3 HP MS 1999DEA/MEO
1 9.9G0.4 41.4G1.7
HC(B)x–B, BZC2H5NH2
xZ1 (1) 24.7G1.0 103.3G4.2 (1) VG MS (1) 1999NOR/MCM
2 (2) 19.5 81.6 (2) HP MS (2) 1974ZIE/WIN
3 (2) 17.3 72.4
CD3 CH2 NHC

3 –CH3 CH2 NH2 25.0G1.0 104.6G4.2 MS 1999NOR/MCM
–CD3CH2NH2 25.2G1.0 105.4G4.2
CH3 CD2 NHC

3 –CH3 CH2 NH2 25.3G1.0 105.9G4.2 MS 1999NOR/MCM
–CH3CD2NH2 25.4G1.0 106.3G4.2
BHC–B, BZCH3CONHCH3 29.8 124.7 HP MS 1984MEO(c)
ONC–n-C3H7CN 28.0 117.2 FT-ICR 1997CAC/PET

–iso-C3H7CN 28.4 118.8
–tert-C4H9CN 29.0 121.3
CH3 NHC
3 –n-C3 H7 CN 28.1 117.6 HP MS 1984MEO
NHC
4 –i-C4 H8 35.1 146.9 HP MS 1991MEO/SIE
BHC–B, 24.0G1.0 100.4G4.2 MS 1999NOR/MCM

BZCH3CH2NHCH3
CD3 CH2 NHC

2 CH3 –CH3 CH2 24.1G1.0 100.8G4.2 MS 1999NOR/MCM
NHCH3
–CD3CH2NHCH3 24.2G1.0 101.3G4.2
CH3 CD2 NHC

2 CH3 –CH3 CH2 24.0G1.0 100.4G4.2 MS 1999NOR/MCM
NHCH3
–CH3CD2NHCH3 24.2G1.0 101.3G4.2
CH3 CH2 NHC

2 CD3 –CH3 CH2 24.0G1.0 100.4G4.2 MS 1999NOR/MCM
NHCH3
–CH3CH2NHCD3 24.2G1.0 101.3G4.2
H4NC–H2C(CH3O)2O 29.1G3.6 121.8G15.1 HP MS 1996MEO/SIE
ONC–CH3COC2C2H5 (1) 47.4 198 (1) ICR (1) 1981REE/FRE

(2) 42.2 176.6 (2) Review (2) 1986KEE/CAS
(3) 32.1 134.3 (3) FT-ICR (3) 1997CAC/PET
(continued)
BDEs (boldfaceZ
recommended data;
CH3 NHC
3 –CH3 COC2 H5 25.2 105.4 HP MS 1984MEO
–CF3COOC2H5 21.4 89.5
(CH3 )2 NHC
2 –ðCH3 Þ3 N 23.3 97.5 HP MS 1973YAM/KEB
(CH3)4NC–(CH3)3N 9.9 41.4 HP MS 1985MEO/DEA
BHC(B)x–B, BZN(CH3)3
xZ0 (1) 22.5 94.1 HP MS (1) 1973YAM/KEB
(2) 24 100.4 (2) 1991WEI/TZE
(2) 22.0 92.0 (2) 1992ELS/DAL
1 (2) 6.9 28.9
(3) !8 !34
2 (3) 6.5 27.2
(Me2 N)C
2 –ðMe2 NÞ2 13.0 54.4 HP MS 1987NEL/RUM
–(EtMeN)2 15.7 65.7
BC–B, 31 130 HP MS 1979MEO/HUN

BZCH3OC(O)CH2NH2
ONC–n-C3H7CHO (1) 44.4 184 (1) ICR (1) 1981REE/FRE

(2) 39.2 164.0 (2) Review (2) 1986KEE/CAS
ONC–CH3COOC2H5 (1) 46.7 195 (1) ICR (1) 1981REE/FRE

(2) 41.5 173.6 (2) Review (2) 1986KEE/CAS
(3) 31.4 131.4 (3) FT-ICR (3) 1997CAC/PET
HC(B)x–B, BZnC3H7NH2
xZ1 (1) 24.5 102.5 (1) HP MS (1) 1992MEO
2 (1) 16.0 66.9
(2) 19.5 81.6 (2) HP MS (2) 1982HOL/CAS

3 (1) 14.0 58.6
(2) 17.1 71.5
4 (1) 7.7 32.2
5 (1) 7 29
HC(B)x–B, BZi-C3H7NH2
xZ2 19.5 81.6 HP MS 1974ZIE/WIN
3 17.1 71.5
ONC–n-C3H7NO2 27.7 115.9 FT-ICR 1997CAC/PET

–iso-C3H7NO2 28.2 118.0
–n-C4H9NO2 27.9 116.7
–tert-C3H7NO2 29.5 123.4
–C6H5NO2 29.7 124.3
–o-CH3-C6H4NO2 30.7 128.4
(CH3)3NHC 27.2 113.8 HP MS 1984MEO(c)

–(N(CH3)2)(CH3)CO
(CH3)4NC–CH3CON(CH3)2 18.0 75.3 HP MS 1985MEO/DEA
BHC–B, 28.8G1.2 120.6G4.8 IR radiation 1997PRI/SCH

BZCH3CON(CH3)2
BHC–B, 31.3 131.0 HP MS 1984MEO(c)

BZ(N(CH3)2)(CH3)CO
ONC–(C2H5)2O (1) 46.5 194 (1) ICR (1) 1981REE/FRE

(2) 41.3 172.8 (2) Review (2) 1986KEE/CAS
CH3 NHC 3 –ðC2 H5 Þ2 O 22.0 92.0 HP MS 1983MEO

(CH3)3NHC–(C2H5)2O 19.5 81.6
(pyridine)HC–(C2H5)2O 22.5 94.1
c-C6 H11 NHC3 –ðC2 H5 Þ2 O 21.9 91.6
(continued)
BDEs (boldfaceZ
recommended data;
CH3 NHC
3 –n-C4 H9 OH 23.5 98.3 HP MS
–t-C4H9OH 22.9 95.8 1984MEO
NHC4 –HOCH2 CHCHCH2 32.3G1.4 135G6 HP MS 1998STO/CAR

OH
–HOCH(CH3)(CH3)CHOH 34.9G1.4 146G6
BHC–B, 30.2 126.4 HP MS 1985SPE/MEO

BZt-C4H9CN
CH3 NHC 3 –B
BZCH3OC2H4OCH3 30.1 125.9 HP MS 1983MEO
(CH3)3NHC–B 26.7 111.7
(pyridine)HC–B 25.4 106.3
c-C6 H11 NHC3 –B 29.4 123.0
HC(B)3–B
BZC2H4(NH2)2 17.5G0.5 73.2G2.1 HP MS 1973WIN/HER
1,2(NH2)2C3H6 19.5G0.5 81.6G2.1
1,3(NH2)2C3H6 19.7G0.6 82.4G2.5
BHC–B, BZC2H5NHC2H5 23.6G1.0 98.7G4.2 MS 1999NOR/MCM
CD3 CH2 NHC

2 C2 H5 –C2 H5
NHC2 CH5 23.7G1.0 99.2G4.2 MS 1999NOR/MCM
–CD3CH2NHC2H5 23.9G1.0 100.0G4.2
CH3 CD2 NHC

2 C2 H5 –C2 H5
NHC2 H5 23.8G1.0 99.6G4.2 MS 1999NOR/MCM
–CH3CD2NHC2H5 24.0G1.0 100.4G4.2
ONC–(C2H5)2CO (1) 48.1 201 (1) ICR (1) 1981REE/FRE

(2) 42.9 180 (2) Review (2) 1986KEE/CAS
(3) 41.6G2 174.1G8 (3) FT-ICR (3) 1996RYZ/KLI
(4) 32.7 136.8 (4) FT-ICR (4) 1997CAC/PET
CH3 NHC
3 –ðC2 H5 Þ2 CO 25.9 108.4 HP MS 1984MEO
H4NC(B)x–B,
BZMeO(CH2)2OMe
xZ0 38G3 159G12 HP MS 1996MEO/SIE
1 23.2G1.3 97.1G5.4
2 14.4G1.2 60.3G5.0
CH3 NHC
3 –HCOO-n C4 H 9 24.5 102.5 HP MS 1984MEO
–CH3COO-n-C3H7 30.0 125.5
ONC–CH3COO-n-C3H7 (1) 47.2 197 (1) ICR (1) 1981REE/FRE

(2) 42.0 175.7 (2) Review (2) 1986KEE/CAS
ONC–CH3COO-tert-C4H9 33.7 141.0 FT-ICR 1997CAC/PET
N(CH3 )C
4 –B,
BZCH3CONHCH2 (1) 20.1 84.1 HP MS (1) 1985MEO/DEA
COOCH3
(pyrimidine)HC–B (2) 34.5 144.3 HP MS (2) 1984MEO
CH3 NHC
3 –CH3 COAlaOCH3 , 40.1 167.8 HP MS 1984MEO(c)
AlaZNHCH(CH3)CO
BHC–B, BZCH3 30.1 125.9 HP MS 1984MEO(b)

COAlaOCH3
CH3 NHC
3 –ðn C3 H7 Þ! 27.0 113.0 HP MS 1984MEO
ðC2 H5 ÞCO
(continued)
BDEs (boldfaceZ
recommended data;
ONC–CH3CO-iso-C3H7 33.0 138.1 FT-ICR 1997CAC/PET

–CH3CO-tert-C4H9 33.5 140.2
ONC–(iso-C3H7)2CO 34.0 142.3 FT-ICR 1997CAC/PET

–(tert-C4H9)2CO 33.7 141.0
ONC–(CH3)(C6H5)2CO 35.1 146.9 FT-ICR 1997CAC/PET

–(C6H5)2CO 38.3 160.3
ONC–(C3H5)2CO 36.5 152.7 FT-ICR 1997CAC/PET

–(CH2C6H5)2CO 39.5 165.3
CH3NHC 3 –B
BZ(n-C3H7)2O 24.0 100.4 HP MS 1984MEO
c-C6 H11 NHC3 –B 25.4 106.3
BHC(NH3)–B, BZMeOC2 30.5G0.8 127.6G3.4 HP MS 1996MEO/SIE

H4OC2H4OMe
CH3 NHC 3 –B, BZCH3O

(CH2)3OCH3 31.2 130.5 HP MS 1983MEO
N(CH3 )C4 –B 25.5 106.7
c-C6 H11 NHC3 –B 28.4 118.8
(2-F-pyridine)HC–B 26.2 109.6
BHC–B, BZ(C2H5)3N (1) 23.9 100.0 HP MS (1) 1983MEO/SIE

(2) 20.9G1 87.4G4 (2) 2003RUS/IBR
(CH3)3NHC–B
BZCH3(OCH2CH2)2OCH3 32.8 137.2 HP MS 1983MEO
(1,2-diazine)HC–B 32.4 135.6
(2-F-pyridine)HC–B 34.7 145.2
c-C6 H11 NHC
3 –B 39.7 166.1
ONC–(i-C3H7)2CO (1) 49.8 208 (1) ICR (1) 1981REE/FRE

(2) 44.6 186.6 (2) Review (2) 1986KEE/CAS
CH3 NHC
3– 30.0 125.5 HP MS 1984MEO
n-C4 H9 COO-n-C3 H7
CH3 NHC3 –ðn-C4 H9 Þ2 O (1) 25.0 104.6 HP MS (1) 1983MEO

(CH3)4NC–(n-C4H9)2O (2) 12.9 54.0 (2) 1985MEO/DEA
ONC–CH3CO(OCH3)2CH3 37.0 154.8 FT-ICR 1997CAC/PET

–CH3CON(CH3)2 39.7 166.1
–CH3CON(CH2CH3)2 41.6 174.1
(CH3)3NHC–B,
BZCH3(OCH2CH2)3 34.6 144.8 HP MS 1983MEO
OCH3
(1,2-diazine)HC–B 37.0 154.8
c-C6 H11 NHC
3 –B 43.3 181.2
(CH3)3NHC–(n-C6H13)2O 27.2 113.8 HP MS 1984MEO
BHC–B, BZNR3
RZn-C3H7 22.5 94.1 HP MS 1983MEO/SIE
n-C4H9 24.4 102.1
BHC–B, BZalanine (Ala) (1) 25.8G0.7 108.1G2.9 IR radiation (1) 1997PRI/SCH

(2) 25.4G1.2 106.3G4.8 (2) 1997PRI/JOC
(continued)
BDEs (boldfaceZ
recommended data;
arginine (Arg) (2) 30.7G1.8 128.3G7.7

lysine (Lys) (1) 26.5G1.2 111.0G4.8
BHC(B)x–B,
BZglucine (Gly)
xZ0 (1) 26.5G1.2 111.0G4.8 (1) IR (1) 1997PRI/SCH
radiation
(2) 27.7G1.2 116G5 (2) HP MS (2) 2005RAS/MCM
1 (2) 18.4G1.7 77G7
BHC–B,
BZarginine methyl ester 24.2G1.2 101.3G4.8 IR radiation 1997PRI/JOC
arginine.arginine 27.7G1.2 115.8G4.8
methyl ester
glycine methyl ester 25.4G1.2 106.3G4.8
(glucine)HC -alanine 26.5G1.2 110.9G4.8 IR radiation 1997PRI/SCH
NHC
4 –c-C6 H12 !9 !37.7 HP MS 1985DEA/MEO
CH3 NHC3 –c-C6 H12 11.6 48.5
ONC–C6H6 (1) 46.3 194 (1) ICR (1) 1981REE/FRE

(2) 41.1 172 (2) Review (2) 1986KEE/CAS
(3) 31.3 131 (3) FT-ICR (3) 1997CAC/PET
H4NC(B)x–B, BZC6H6
xZ0 19.3 80.8 HP MS 1985DEA/MEO
1 17.0 71.1
2 14.2 59.4
CH3 NHC3 –C6 H6 18.8 78.7 HP MS 1985DEA/MEO

(CH3)3NHC–C6H6 15.9 66.5
(CH3)4NC–C6H6 (1) 9.4 39.3 HP MS (1) 1985MEO/DEA

(2) 8.6G0.4 36.0G1.7 (2) 1999DEA/MEO
(C6H5)(CH3)NHC–C6H6 12.2 51.0 HP MS 1986KEE/CAS

(C6H5)(CH3)2NC–C6H6 9.8 41.0
(p-CH3C6H4) 8.9 37.2
(CH3)2NC–C6H6
(aniline)C–C6H6 11.3 47.3
(indole)C–C6H6 13.10G0.03 54.80G0.13 MATI 2000BRA/MEH
ONC–C6H5F (1) 43.0 180 (1) ICR (1) 1981REE/FRE

(2) 37.8 158 (2) Review (2) 1986KEE/CAS
(3) 28.6 119.7 (3) FT-ICR (3) 1997CAC/PET
H4NC–C6H5F 14.4 60.2 HP MS 1985DEA/MEO
(aniline)C–C6H5F 11.8 49.4 HP MS 1986KEE/CAS
H4NC–1,4-C6H4F2 13.0 54.4 HP MS 1985DEA/MEO
(aniline)C–C6F6 11.0 46.0 HP MS 1986KEE/CAS
ONC–C6H5Cl (1) 43.7 183 (1) ICR (1) 1981REE/FRE

(2) 38.5 161 (2) Review (2) 1986KEE/CAS
(aniline)C–C6H5Cl 12.0 50.2 HP MS 1986KEE/CAS
(aniline)C–C6H5Br (1) 14.1 59.0 HP MS (1) 1986KEE/CAS

(2) 13.6 56.9 (2) 1987ELS/MEO
(aniline)C–C6H5I 13.6 56.9 HP MS 1986KEE/CAS
(continued)
BDEs (boldfaceZ
recommended data;
ONC –C6H5CN (1) 46.3 194 (1) ICR (1) 1981REE/FRE

(2) 41.1 172 (2) Review (2) 1986KEE/CAS
(3) 29.0 121.3 (3) FT-ICR (3) 1997CAC/PET
ONC –o-CH3-C6H4CN 29.5 123.4 FT-ICR 1997CAC/PET
CH3 NHC
3 –C6 H5 CN 29.4 123.0 HP MS 1984MEO
(aniline)C–C6H5CN 21.8 91.2 HP MS 1986KEE/CAS
ONC –C6H5C(O)H 48.9 204 ICD 1981REE/FRE
ONC –C6H5NO2 (1) 44.5 186 (1) ICR (1) 1981REE/FRE

(2) 39.3 164 (2) Review (2) 1986KEE/CAS
(aniline)C–C6H5NO2 19.5 81.6 HP MS 1986KEE/CAS
ONC–C6H5CH3 (1) 49.4 206 (1) ICR (1) 1981REE/FRE

(2) 44.2 185 (2) Review (2) 1986KEE/CAS
(3) 34.5 144.3 (3) FT-ICR (3) 1997CAC/PET
(CH3)4NC–C6H5CH3 9.5 39.7 HP MS 1985DEA/MEO
(aniline)C–C6H5CH3 14.0 58.6 HP MS 1986KEE/CAS
ONC–C6H5CF3 (1) 40.4 169 (1) ICR (1) 1981REE/FRE

(2) 35 146 (2) Review (2) 1986KEE/CAS
(aniline)C–C6H5CF3 12.1 50.6 HP MS 1986KEE/CAS
ONC–C6H5C2H5 (1) 49.7 208 (1) ICR (1) 1981REE/FRE

(2) 44.5 186 (2) Review (2) 1986KEE/CAS
(3) 35.3 147.7 (3) FT-ICR (3) 1997CAC/PET
(aniline)C–C6H5OCH3 16.8 70.3 HP MS 1986KEE/CAS
CH3 CO2 CH2 CH2 N

ðCH3 ÞC
3 –B
BZC6H5CH3 8.1G0.7 33.9G2.9 HP MS 1999DEA/MEO
3-CH3C6H4OH 12.8 53.6
C6H5OCH3 12.3 51.5
(aniline)C–p-xylene 14.5 60.7 HP MS 1986KEE/CAS
H4NC–B, BZmesitylene 21.8 91.2 HP MS 1985DEA/MEO
(aniline)C–B 15.3 64.0 HP MS 1986KEE/CAS

BZmesitylene
ONC–n-C3H7C6H5 (1) 50.3 210 (1) ICR (1) 1981REE/FRE

(2) 45.1 188.7 (2) Review (2) 1996KEE/CAS
ONC–i-C3H7C6H5 (1) 50.3 210 (1) ICR (1) 1981REE/FRE

(2) 45.1 188.7 (2) Review (2) 1996KEE/CAS
(aniline)C–n-C4H9C6H5 14.6 61.1 HP MS 1986KEE/CAS
BHC–B
BZC6H5N(CH3)2 10.0 41.8 HP MS 1986KEE/CAS
p-CH3-C6H4N(CH3)2 16.2 67.8
H4NC–B, BZcyclohexane !9 !37.7 HP MS 1985MEO/DEA

CH3 NHC
3 –B 11.6 48.5
(continued)
BDEs (boldfaceZ
recommended data;
(aniline)C–naphthalene 15.4 64.4 HP MS 1986MEO/ELS

–1-CH3-naphthalene 15.8 66.1
–1-bromonaphthalene 15.8 66.1
–acenaphthylene 17.2 72.0
(aniline)C –C6(CH3)6 17.1 71.5 HP MS 1986KEE/CAS

–acenaphthene 18.3 76.6
–azulene 14.3 59.8
ONC–B
BZpyridine 40.1 167.8 FT-ICR 1997CAC/PET
3-F-pyridine 37.3 156.1
4-Cl-pyridine 38.8 162.3
3-CH3-pyridine 41.1 172.0
BHC(B)x–B, BZpyridine
xZ0 (1) 23.7G1 99.2G4.2 HP MS (1) 1979MEO
(2) 26.3 110.0 (2) 1982HOL/CAS
(3) 24.6 102.9 (3) 1983MEO/SIE
(4) 25.2 105.4 (4) 1992MEO
(5) 25.2G1 105.4G4 (5) 2003RUS/IBR
1 (2) 12.6 52.7
2 (2) 13.6 56.9
(C2H5)3NHC–2-F-pyridine 20.8 87.0 HP MS 1984MEO
BHC–B
BZ2-CH3–pyridine 23.0 96.2 HP MS 1983MEO/SIE
2-i-C3H7–pyridine 23.0 96.2
2-t-C4H9–pyridine 23.0 96.2
BHC–B
BZ2,6-(CH3)2–pyridine 23.3 97.5 HP MS 1983MEO/SIE
2,6-(C2H5)2–pyridine 22.8 95.4
2,6-(iC3H7)2–pyridine 23.6 98.7
2,6-(tC4H9)2–pyridine w23 w96
(CH3COGlyOCH3)HC– 28.6 119.7 HP MS 1984MEO(c)

pyrimidine,
GlyZNHCH2CO
(pyrimidine)HC– 34.5 144.3 HP MS 1984MEO(c)

CH3COGlyOCH3,
GlyZNHCH2CO
CH3 NHC
3 –pyrrole 18.6 77.8 HP MS 1985DEA/MEO
(B)xHC–B, BZpyrrole
xZ0 16.8 70.3 HP MS 1987HIR/TAK
1 12.3 51.5
BC(B)x–B, BZpyrrole
xZ0 16.5 69.0 HP MS 1987HIR/TAK
1 13.8 57.7
(B)xHC–B, BZpyrrolidine
xZ0 22.3 93.3 HP MS 1987HIR/TAK
1 15.3 64.0
ONC–adenine 40.3 168.6 Correlation 1997CAC/PET

–cytosine 40.4 169.0
–guanine 40.1 167.8
–thymine 35.6 149.0
BHC–B, BZcytosine 38.3G3 160.2G12.6 HP MS 1979MEO

adenine 30.3G1 126.8G4.2
thymine 30.1G2 125.9G8.4
BHC–B, BZproline (1) 20.0G2.0 83.7G8.4 HP MS (1) 1974MEO/FIE

(2) 29 121 (2) 1979MEO/HUN
(valine)HC–proline 23.4G2.0 97.9G8.4 HP MS 1974MEO/FIE
(continued)
BDEs (boldfaceZ
recommended data;
prolineHC–B, BZvaline 21.0G2.0 87.9G8.4 HP MS 1974MEO/FIE

BHC–B 20.7G2.0 86.6G8.4
BHC–B, BZaniline 17.4 72.8 HP MS 1986KEE/CAS

(C6H5)(CH3)NHC–B 17.4 72.8
(C6H5)(CH3)2NC–B 14.5 60.7
(p-CH3-C6H4)(CH3)2NC–B 13.5 56.5
c-C6 H11 NHC

3 (B)x –B,
BZAcAlaNH
xZ0 37.8 158.2 HP MS 1988MEO(c)
1 20.4 85.4
AcZCH3CO
AlaZNHCH(CH3)CO
ImNHC(AcAlaNH)x–
AcAlaNH
xZ0 (1) 27.7 115.9 (1) HP MS (1) 1988MEO(c)
(2) 25.8G1.8 108.1G7.7 (2) IR radiation (2) 1998JOC/WIL
1 (1) 21.8 91.2
ImNZimidazolyl, N2C3H3
AcZCH3CO
AlaZNHCH(CH3)CO
(C2 H5 )NHC
2 –ImNH (1) 22.6 94.6 (1) HP MS (1) 1988MEO(c)
ImNHC–ImNH (1) 23.7 99.2 (2) 1998JOC/WIL
ImNZimidazolyl, N2C3H3 (2) 25.6G0.9 107.1G3.9 (2) IR radiation
RHC–12-crown-4-ether
RZ(CH3)3N 35.8 149.8 HP MS 1983MEO
1,2-diazine 37.0 154.8
Pyridine 36.1 151.0
c-C6H11NH2 37.2 155.6
RZ(CH3)3N (1) 34.9 146.0 HP MS (1) 1986KEE/CAS
Pyridine (2) 41.0 171.5 (2) 1983MEO

c-C6H11NH2 (2) 42.3 177.0
RZ(CH3)3N 41G4 171.5G16.7 HP MS 1983MEO
1,2-Diazine 42G4 175.7G16.7
Pyridine 40G4 167.4G16.7
c-C6H11NH2 46G4 192.5G16.7
(betain)HC–betaine 33.4G1.2 139.9G4.8 IR radiation 1998PRI/JOC

–TMG 30.4G1.6 127.4G6.8
–TMDB 28.1G0.9 117.7G3.9
–TMDP 27.0G0.7 112.9G2.9
–DMPA 27.9G1.2 116.7G4.8
–TBA 27.7G1.4 115.8G5.8
(DBU)HC–DBU 31.1G1.8 130.3G7.7
(DBN)HC–DBN 32.3G1.8 135.1G7.7
TMGZ1,1,3,3-tetramethyl
guanidine
TMDBZN,N,N 0 ,N 0 -
tetramethyl-
diaminobutane
TMDPZN,N,N 0 ,N 0 -
tetramethyl-
diaminopropane
DMPAZN,N-dimethyl-
4-pyridine-amine
TBAZtri-n-butylamine
DBUZ1,7-diazobicyclo
[5.4.0]-undec-7ene
DBNZ1,5-diazobicyclo
[4.3.0]non-5-ene
25.1.3 Negative nitrogen-ion clusters/complexes

Table 25.1.3 BDEs in Negative Nitrogen-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
NOK(Ar)x–Ar
xZ0 (1) 2.5G0.4 10.5G1.7 (1) Photodet. (1) 1988BOW/EAT
(2) 1.6 6.6 (2) PES (2) 2002HEN/CLE
(continued)
Table 25.1.3 (continued) BDEs in Negative Nitrogen-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
1 (2) 1.5 6.4

2 (2) 1.3 5.6
3 (2) 1.3 5.5
4 (2) 1.3 5.3
5 (2) 1.2 5.0
NOK–Kr 2.6 10.7 (2) PES 2002HEN/CLE
NOK(Xe)x–Xe
xZ0 (1) 4.1G0.6 17.2G2.5 (1) Photodet. (1) 1988BOW/EAT
(2) 4.2 17.6 (2) PES (2) 2002HEN/CLE
1 (2) 3.9 16.4
2 (2) 3.5 14.5
3 (2) 2.8 11.6
c-C5H4NK–H 104G5 435G21 Derived 1981MCD/CHO
C6H5NK–H 91.3G2 382G8 Derived 1981MCD/CHO
NK–S 92G10 385G42 Derived 1974GUR/KAR
NK–N 182.9 765.1 Derived 1979HUB/HER
NK–C 237.7 994.4 Derived 1979HUB/HER
NK–Si 143.9G3.2 602.1G13.5 PES 2004MEL/SHE
NK–B 171.1G1.8 715.8G7.7 PES 1998ASM/TAY(b)

NOK(NO)x–NO
xZ0 (1) 39.2G1.2 164.0G4.8 (1) Photodet. (1) 2002LI/CON
1 (2) 17.8G1.2 74.3G4.8 (2) PES (2) 1998TSU/SAE
(NO2)K(NO)x–NO
xZ0 5.3G1.2 22.2G4.8 Photodetach. 2002LUO/CLE
1 8.8G1.2 36.7G4.8
NOK(N2O)x–N2O
xZ0 (1) w5.1 w21.3 (1) PES (1) 1987COE/SNO
(2) 17.5G2.3 73.3G9.6 (2) CID (2) 1999TOR/SUL
(3) 5.1 21.3 (3) PES (3) 2002HEN/CLE
1 (1) w6.0 w25.1
(3) 5.9 24.6
(4) 5.6 23.4 (4) HP MS (4) 1994HIR/FUJ(b)
2 (3) 5.2 21.9
(4) 5.1 21.3
3 (3) 5.0 20.9
(4) 4.5 18.8
4 (3) 4.2 17.6
(4) 4.5 18.8
5 (4) 4.4 18.4
6 (4) 4.2 17.6
(NO2)K(N2O)x–N2O
xZ0 5 20.9 PES 1986COE/SNO(b)
1 4.4 18.4
CNK(HCN)x–HCN
xZ0 (1) 21.7 90.8 (1) ICR (1) 1987LAR/MCM(b)
(2) 20.7 86.6 (2) HP MS (2) 1988MEO/CYB
(3) 20.1G1.6 83.9G6.8 (3) CID (3) 2006CHA/KRO
1 (2) 16.4 68.6
2 (2) 12.6 52.7
3 (2) 10.9 45.6
4 (2) 9.8 41.0
5 (2) 8.5 35.6
6 (2) 7.6 31.8
(continued)
BDEs (boldfaceZ
recommended data;
CNK(H2O)(HCN)x–HCN
xZ1 13.2 55.2 HP MS 1989MEO/SPE
2 12.3 51.5
CNK(H2O)2(HCN)–HCN 12.6 52.7 HP MS 1989MEO/SPE

CNK(H2O)3–HCN 13.1 54.8
ImNK–HCN 23.9 100.0 HP MS 1988MEO(c)

CNK–CO2 17.3G0.8 72.4G3.3 ICR 1988LAR/SZU
(NO2)K(CO2)x–CO2
xZ0 (1) 9.3 38.9 (1) HP MS (1) 1980KEE/LEE
(2) 7.27G0.2 30.4G0.8 (2) HP MS (2) 1992HIR/YAM
1 (2) 6.68G0.2 27.9G0.8
2 (2) 6.34G0.2 26.5G0.8
3 (2) 6.04G0.2 25.3G0.8
4 (2) 5.23G0.2 21.9G0.8
5 (2) 4.94G0.2 20.7G0.8
6 (2) 4.42G0.2 18.5G0.8
7 (2) 4.19G0.2 17.5G0.8
(pyridine)K(CO2)2–CO2 3.9 16.4 PES 2000HAN/CHU
CNK–SO2 21.7 90.8 ICR 1988LAR/SZU
(NO2)K(SO2)x–SO2
xZ0 (1) 25.9 108.3 (1) HP MS (1) 1980KEE/LEE
(2) 24.2 101.5 (2) FA (2) 1984BOH/FAH
1 (1) 9.0 37.7
(3) 9.8 41.0 (3) HP MS (3) 1983WLO/LUC
2 (1) 6.6 27.6
(NO3)K(SO2)x–SO2
xZ0 (1) 18.2 76.1 (1) HP MS (1) 1983WLO//LUC
(2) 17.2 71.9 (2) FA (2) 1984BOH/FAH
1 (1) 8.8 36.8
CNK(H2O)x–H2O
xZ0 (1) 13.8 57.7 (1) HP MS (1) 1971PAY/YAM
(2) 14.6 61.1 (2) HP MS (2) 1988MEO
(3) 12.7G0.8 53.1G3.3 (3) Derived (3) 1988LAR/SZU
1 (4) 11.7 49 (4) HP ME (4) 1989MEO/SPE
2 (4) 10.7 44.8
3 (4) 9.8 41.0
CN–(HCN)(H2O)x–H2O
xZ0 12.4 51.9 HP MS 1989MEO/SPE
1 9.5 39.7
CN–(HCN)2(H2O)x–H2O
xZ0 7.7 32.2 HP MS 1989MEO/SPE
1 8.9 37.2
CNK(HCN)3–H2O 9.4 39.3 HP MS 1989MEO/SPE
ONK(H2O)x–H2O
xZ0 (1) 16.6 69.5 PES (1) 1990EAT/ARN
(2) 16.6 69.5 (2) 2002HEN/CLE
1 (1) 15.7 65.6
NK
3 ðH2 OÞx –H2 O
xZ0 10.6 44.4 PES 2004YAN/KIR
1 10.1 42.5
2 10.6 44.4
CH2CNK–H2O 13.2 55.2 HP MS 1988MEO
(NO2)K(H2O)x–H2O
xZ0 (1) 14.3 59.8 (1) HP MS (1) 1971PAY/YAM
(2) 15.2 63.6 (2) HP MS (2) 1980LEE/KEE
(continued)
BDEs (boldfaceZ
recommended data;
(3) 14.5 60.7 (3) HP MS (3) 1985SIE

(4) 15.5G1.5 64.9G6.3 (4) ES MS (4) 1995BLAKLA
1 (1) 12.9 54.0
(2) 13.6 56.9
(4) 13.0G1.5 54.4G6.3
2 (1) 10.4 43.5
(2) 11.7 49.0
(4) 11.5G1.5 48.1G6.3
3 (2) 11.6 48.5
(NO3)K(H2O)x–H2O
xZ0 (1) 12.4 51.9 (1) HP MS (1) 1971PAY/YAM
(2) 14.6 61.1 (2) HP MS (2) 1980LEE/KEE
(3) 14.8 61.9 (3) MS (3) 1984ARN/QIU
(4) 14.1 59.0 (4) ES MS (4) 1995BLA/KLA
(5) 10.6 44.4 (5) Photodet. (5) 2002WAN/YAN
1 (3) 14.3 59.8
(4) 12.2 51.0
(5) 11.5 48.2
2 (2) 13.8 57.7
(4) 10.9 45.6
(5) 12.0 50.2
(NO3)K(HNO3)–H2O 12.9 54.0 MS 1982ARN/VIG
c-C4H4NK(H2O)x–H2O
xZ0 15.7 65.7 HP MS 1988MEO
1 12.1 50.6
C6H5NOK
2 –H2O 13.5G0.1 56.5G0.4 HP MS 1985SIE
C6H5NOK
2 –2H2O 12.4G0.1 51.9G0.4
AcAlaNK(H2O)x–H2O
xZ0 15.2 63.6 HP MS 1988MEO(c)
1 13.0 54.4
AcZCH3CO
AlaZNHCH(CH3)CO
ImNK(H2O)x–H2O
xZ0 15.2 63.6 HP MS 1988MEO(c)
1 11.8 49.4
2 12.9 54.0
(CH3COOK 13.2 55.2 HP MS 1988MEO(c)

AcAlaNH)
–H2O
AcZCH3CO
AlaZNHCH(CH3)CO
ONK–H2S 5.6 23.3 PES 2002HEN/CLE
CNK–H2S (1) 19.8 82.8 (1) ICR (1) 1987LAR/MCM(b)

(2) 18.9 79.1 (2) HP MS (2) 1988MEO(d)
ONK–H2S 5.6 23.4 PES 2002HEN/CLE
NOK
2 –CH3 12.9G4.6 54.0G19.3 Derived 1978COM/REI(b)
NOK
2 –H2O2 20.2 84.4 FA 1984BOH/FAH
NOK
3 –H2O2 19.2 80.2
(NO2)K(HNO2)x–HNO2
xZ0 32.5 136.0 HP MS 1980LEE/KEE
1 21.3 89.1
(NO3)K(HNO3)x–HNO3
xZ0 (1) O23 O96 (1) FA (1) 1977DAV/FEH
1 (1) 18.3 76.6
(continued)
BDEs (boldfaceZ
recommended data;
(2) 16.0 66.9 (2) HP MS (2) 1980WLO/LUC

(3) 17.7 74.1 (3) HP MS (3) 1980LEE/KEE
(4) 20.0 83.7 (4) MS (4) 1984ARN/QIU
2 (1) 16.1 67.4
(2) 13.9 58.2
(3) 16.0 66.9
3 (2) 9.3 38.9
4 (2) 7.4 31.0
5 (2) 4.6 19.2
ONK–NH3 10.4 43.4 PES 2002HEN/CLE
NHK
2 (NH3)x–NH3
xZ0 12.5 52.2 PES 1995SNO/COE
1 10.6 44.4
CNK–PF3 15.3 64.0 ICR 1988LAR/SZU

–AsF3 24.9 104.2
CNK–OCF2 23.5 98.3 ICR 1988LAR/SZU

–OSF2 15.8 66.1
NOK
3 –ClONO2 14.6 w 26 61 w 109 Fast flow tube 1997WIN/MER
CNK–CF3H 17.0 71.1 ICR 1987LAR/MCM(b)

–CHCl2F 17.8 74.5
–CHCl3 18.2 76.1
–CH2Cl2 16.3 68.2
CH2CNK–CH3CN 12.8 53.6 HP MS 1988MEO

c-C4H8NK–CH3CN 15.8 66.1
CNK–OPF3 23.5 98.3 ICR 1988LAR/SZU

–SF4 25.8 107.9
–SiF4 27.2 113.8
(C6H5NO2)K–B, BZSiF4 35G2 146G8.4 HP MS 2001WIL/KNI

(p-F-C6H4NO2)K–B 33G2 138G8.4
(p-Cl-C6H4NO2)K–B 32G2 134G8.4
(p-CH3-C6H4NO2)K–B 35G3 146G12.6
(p-NO2-C6H4NO2)K–B 21G1 88G4.2
CNK–CH3OH (1) 16.5 69.0 (1) ICR (1) 1987LAR/MCM(b)

(2) 15.7G0.8 65.7G3.3 (2) Derived (2) 1988LAR/SZU
NOK
2 –CH3OH 17.4G0.2 72.8G0.8 HP MS 1985SIE
c-C4H4NK–CH3OH 18.6 77.8 HP MS 1988MEO
C6H5NOK
2 –CH3OH 15.1G0.2 63.2G0.8 HP MS 1985SIE
Y-C6H4NOK2 –CH3OH
YZ3-F 15.8 66 HP MS 1987CHO/GRI
3-CF3 14.6 61
4-CN 13.9 58
4-OMe 13.7 57
AcAlaNK–CH3OH 18 75.3 HP MS 1988MEO(c)
AcZCH3CO
AlaZNHCH(CH3)CO
ImNK–CH3OH 17.1 71.5 HP MS 1988MEO(c)
CNK–CH3CN (1) 16.4 68.6 (1) ICR (1) 1987LAR/MCM(b)
(2) 15.7 65.7 (2) HP MS (2) 1994HIR/YAM
CH2CNK–CH3CN 15.7 65.7 Review 1994HIR/YAM
(continued)
BDEs (boldfaceZ
recommended data;
NOK
2 –CH3CN 13.4G0.2 56.1G0.8 HP MS 1985SIE
CH2CNK–CH3CN 15.7 65.7 HP MS 1994HIR/YAM
Y-C6H4NOK2 –CH3CN
YZ3-CF3 13.3 56 HP MS 1987CHO/GRI
4-CN 13.9 58
4-OMe 13.8 58
CNK–CF3CFO 24.6 102.9 ICR 1988LAR/SZU

–CH3SiF3 22.6 94.6
(NO2)K(B)x–B, BZMeNO2
xZ0 (1) 14.3G0.1 59.8G0.4 HP MS (1) 1985SIE
(2) 14.5G0.5 60.7G2.1 (2) 2003WIN
1 (2) 12.4G0.5 51.9G2.1
2 (2) 11.3G0.8 47.3G3.3
3 (2) 9.7G0.3 40.6G1.2
CH2NOK
2 (B)x–B
BZMeNO2
xZ0 (1) 15.9G0.5 66.5G2.1 (1) HP MS (1) 2003WIN
1 (1) 13.3G0.7 55.6G2.9
2 (1) 12.6G0.5 52.7G2.1
3 (1) 11.4G0.2 47.7G0.8
MeNOK2 (B)x–B, BZ
MeNO2
xZ0 (1) 15.2G0.2 63.5G0.8 (1) PES (1) 1996COM/CAR
(2) 12.8G0.3 53.6G1.3 (2) HP MS (2) 2003WIN
1 (1) 13.3G0.2 55.6G0.8
(2) 12.8G0.3 53.6G1.3
2 (2) 10.4G0.5 43.5G2.1
3 (2) 8.4G0.2 35.1G0.8

MeNOK
4 (B)x–B, BZ
MeNO2
xZ0 (1) 13.0G0.8 54.4G3.3 (1) HP MS (1) 2003WIN
1 (1) 10.9G0.6 45.6G2.5
2 (1) 9.5G0.9 39.7G3.8
3 (1) 6 25
(NO2)K(B)x–B, BZEtNO2
xZ0 (1) 15.8G0.5 66.1G2.1 (1) HP MS (1) 2004WIN
1 (1) 14.9G0.5 62.3G2.1
2 (1) 11.8G0.5 49.4G2.1
3 (1) 11.0G0.5 46.0G2.1
EtNOK2 (B)x–B, BZEtNO2

xZ1 (1) 14.6G0.2 61.1G0.8 (1) HP MS (1) 2004WIN
2 (1) 13.6G0.3 56.9G1.3
3 (1) 11.9G0.5 49.8G2.1
EtNOK4 (B)x–B, BZEtNO2

xZ0 (1) 14.3G0.8 59.8G3.3 (1) HP MS (1) 2004WIN
1 (1) 12.7G0.8 53.1G3.3
2 (1) 11.3G0.9 47.3G3.8
3 (1) 10.5G0.9 43.9G3.8
C2H3NOK
2 (B)x–B
BZEtNO2
xZ1 15.7G0.8 65.7G3.3 HP MS 2004WIN
2 15.2G0.8 63.6G3.3
C2H4NOK2 (B)x–B,
BZEtNO2
xZ1 16.2G0.8 67.8G3.3 HP MS 2004WIN
2 15.4G0.8 64.4G3.3
(continued)
BDEs (boldfaceZ
recommended data;
(NO2)K(B)x–B, BZ
EtONO2
xZ0 20.9G1.0 87.4G4.2 HP MS 1983WLO/LUC(b)
1 8.5G0.5 35.6G2.1
2 7.3G0.7 30.5G2.9
(NO2)K(SO2)–C2H5ONO2 7.4 31 HP MS 1983WLO/LUC
(NO3)K(B)x–B
BZEtONO2
xZ0 17.2 72 HP MS 1983WLO/LUC(b)
1 7.2 30.1
CNK–C2H5OH 17.4 72.8 ICR 1987LAR/MCM(b)

–CH2FCH2OH 20.4 85.4
–CH2ClCH2OH 21.1 88.3
–CF3CH2OH 24.6 102.9
CNK–CF3OCHF2 18.7 78.2 ICR 1987LAR/MCM(b)

–CH3C(O)CH3 14.7 61.5
NOK2 –B 15.9G0.1 66.5G0.4 HP MS 1985SIE

BZCH3C(O)CH3
C6H5NOK 2 –B 14.2G0.2 59.4G0.8
(HCONCH3)K–B 28G2 117G8.4 HP MS 1988MEO(c)

BZHCONHCH3
(pyrroleH)K–B 26G2 109G8.4
CNK–CF3C(O)CF3 20.4 85.4 ICR 1987LAR/MCM(b)

–CHF2C(O)CHF2 22.0 92
–CF3C(O)CHF2 25.8 108
c-C4H8NK(B)x–B
BZ(CH3)2CO
xZ0 13.1 54.8 HP MS 1988MEO
1 10.7 44.8
CNK–CF3CF2CFO 27.6 116 ICR 1988LAR/SZU
NOK2 –B, BZCH3SOCH3 19.2 80.3 HP MS 1985SIE

C6H5NOK 2 –B 16.8G0.1 70.3G0.4
Y-C6H4NOK2 –CH3SOCH3
YZ3-CF3 14.6 61 HP MS 1987CHO/GRI
4-CN 16.0 67
4-OMe 16.3 68
c-C4H8NK(B)x–B
BZc-C4H8NH
xZ0 26.9 113 HP MS 1988MEO
1 17.1 71.5
CNK–CF3CH2OH 24.0G0.8 100.4G3.3 Derived 1988LAR/SZU

–i-CH3CH2OH 16.7G0.8 69.9G3.3
CNK–CHF2CH2F 18.4 77.0 ICR 1987LAR/MCM(b)

–NCC(O)C2H5 17.4 72.8
–i-C3H7OH 18.1 75.7
–(CH2F)2CHOH 23.5 98.3
–t-C4H9OH 18.1 75.7
ONK–HOC2H4OH 27.0 112.9 PES 2002HEN/CLE
(HCONCH3)K–B
BZCH3CONHCH3 27 113 HP MS 1988MEO(c)
(pyrroleH)K–B 27 113
(continued)
BDEs (boldfaceZ
recommended data;
(CH3COO)K(B)x–B
BZCH3CONHCH3
xZ0 25.4 106 HP MS 1988MEO(c)
1 17.6 73.6
CNK–(CF3)2(CH3)COH 25.7 108 ICR 1987LAR/MCM(b)
NOK2 –Me3C(O)H 19.6G0.2 82.0G0.8 HP MS 1985SIE

C6H5NOK2 –Me3C(O)H 16.4G0.2 68.6G0.8
CNK–pyrrole (1) 19.5 81.6 (1) ICR (1) 1988LAR/MCM

(2) 23.4 97.9 (2) HP MS (2) 1998MEO(d)
NOK
3 –Fe(NO3)3 w66 w276 ESI 2003LI/BYE
CNK–(CH3O)3B 19.6 82 ICR 1988LAR/SZU

CNK–(C2H5)3B O33 O138
3-NO2C6H4NOK
2 –SF6 !8.4 !35.1 IMKB 1986CHO/KEB
4-NO2C6H4NOK2 –SF6 !8.5 !35.6
AcAlaNK–AcAlaNH 28.3 118 HP MS 1988MEO(c)

ImNK–AcAlaNH 23.1 96.7
AcZCH3CO
AlaZNHCH(CH3)CO
(CH3COO)K(L)x–L
LZAcAlaNH
xZ0 (1) 30.2 126 (1) HP MS (1) 1988MEO(c)
(2) 27.2G1.4 113.8G5.8 (2) IR radiation (2) 1998JOC/WIL
1 (2) 21.2 88.7

AcZCH3CO
AlaZNHCH(CH3)CO
(CH3COO)K(H2O)– 27.6 116 HP MS 1988MEO(c)

AcAlaNH
(CN)K–CH3C(O)-Ala- 26.4 111 HP MS 1988MEO(c)

OCH3
AlaZNHCH(CH3)CO
ImNK–ImNH 26.4 111 HP MS 1988MEO(c)

(CH3COO)K–ImNH 27.7 116
AcAlaNK–pyrrole 24.0 100 HP MS 1988MEO(c)

AcZCH3CO
AlaZNHCH(CH3)CO
(NO)K(C6H6)x–C6H6
xZ0 9.5 39.6 PES 2002LEB/SCH
1 17.5 73.3
(NO)K(C10H10)x–C10H10
xZ0 14.5 60.8 PES 2002BAR/SCH
1 23.8 99.5
C10H10Znaphthalene
NO2−
Y
YZH 14.2 59.4 HP MS 1986GRI/CHO
p-F 15.0 62.8
m-CN 20.0 83.7
p-CN 18.8 78.7
m-NO2 21.2 88.7
(continued)
BDEs (boldfaceZ
recommended data;
m-CH3O 20.5 85.8

3-CN, 5-NO2 23.5 98.3
NOK–pyridine 13.6 56.9 PES 2002BAR/SCH

–pyrimidine 16.6 69.5
(Py)K(Py)x–Py
PyZpyridine
xZ3 3.7 15.4 PES 1999HAN/SON
4 3.5 14.5
5 3.7 15.4
6 1.6 6.8
(CO2)(Py)K(Py)x–Py
PyZpyridine
xZ0 6.7 28.0 PES 2000HAN/CHU
1 5.5 23.1
2 5.5 23.1
3 4.2 17.5
4 3.7 15.4
dAMPK–dAMP 31.1G3.2 130G13.5 IR radiation 1999STR/SCH

dCMPK–dCMP 33.4G4.4 140G18.4
dTMPK–dTMP 34.4G4.2 144G17.4
dGMPK–dGMP 34.8G4.6 146G19.3
dGMPK–dCMP 40.6G1.8 170G7.7
dAMPK–dTMP 30.7G3.0 128G12.5
dAMPZadenosine
dCMPZcytosine
dTMPZthymine
dGMPZguanosine
25.2 Phosphorus clusters/complexes

25.2.1 Phosphorus-cation clusters/complexes
Table 25.2.1 BDEs in Phosphorus-Cation Clusters/Complexes
BDEs (boldfaceZ
recommended data;
PC–P (1) 116 485 (1) Derived (1) 1979HUB/HER

IP in ref.
PC–N (1) 116 486 (1) Derived (1) 1979HUB/HER

IP in ref.
PC(H)x–H
xZ0 (1) 70.5G5 295G21 (1) Derived (1) 1974GUR/KAR
(2) 77.5G0.4 324.3G1.7 (2) Review (2) 1993BAL/CHU
IP in ref.
1 (2) 82.2G2 343.9G8.4
2 (2) 81.5G2 341.0G8.4
PC–F (1) 155G25 649G105 (1) Derived (1) 1974GUR/KAR

IP in ref.
PC–Cl 69 289 Derived 1974GUR/KAR
PC–O (1) 189.1G2.0 791.3G8.4 (1) Derived from (1) 1996NIST

IP in ref.
(2) 191 800 (2) Derived (2) 2003DEA/LI
PC–S (1) 150G50 628G209 (1) Derived (1) 1974GUR/KAR

IP in ref.
(continued)
Table 25.2.1 (continued) BDEs in Phosphorus-Cation Clusters/Complexes
BDEs (boldfaceZ
recommended data;
PC–C 122G10 512G42 Derived 1974GUR/KAR
H4PC–H2O 13 54.4 ICR 1986KEE/CAS
(H4P)C(PH3)x–PH3
xZ0 (1) 11.5 48.1 (1) MS (1) 1974LON/FRA
1 (1) 9.2 38.5
2 (1) 7.3 30.5
3 (1) 6.5 27.2
4 (1) 5.5 23
P2HC
5 –PH3 9 38 MS 1974LON/FRA
P3HC
6 –PH3 10.8 45
25.2.2 Phosphorus-anion clusters/complexes

Table 25.2.2 BDEs in Phosphorus-Anion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
PK–H 77.5G0.7 324.2G3.0 Derived from 1996NIST

EA in ref.
–In 75.1G2.5 314G10.5
PK–P 113.3G1.2 474.1G5.0 Derived from 1996NIST

EA in ref.
(PO3)K(H2O)x–H2O
xZ0 (1) 12.9G0.3 53.9G1.4 (1) HP MS (1) 1989KEE/CAS
(2) 12.6 52.7 (2) ES MS (2) 1996BLA/HO
1 (1) 11.4 47.7

(2) 11.4 47.7
2 (1) 16.3 68.2
3 (1) 11.0 46.0
(H2PO2)K(H2O)x–H2O
xZ1 13.4 56.1 ES MS 1996BLA/HO
2 11.7 49.0
(OH)(PO2)K(H2O)x–H2O
xZ1 13.6 56.9 ES MS 1996BLA/HO
2 12.2 51.0
(OH)2(PO2)K(H2O)x–H2O
xZ0 (1) 14.0 58.6 ES MS 1996BLA/HO
1 (1) 12.3 51.5
(2) 13.1 54.8
2 (2) 11.8 49.4
(OH)3POK–H2O 13.4G1.5 56.1G6.3 ES MS 1995BLA/KLA

(OH)4PK–H2O 13.6G1.5 56.9G6.3
H6O4PK–H2O 11.7G1.5 49.0G6.3
H6O5PK–H2O 12.2G1.5 51.0G6.3
(PO3)K(D2O)x–D2O
xZ0 (1) 12.6G0.2 52.6G0.9 (1) HP MS (1) 1989KEE/CAS
1 (1) 11.4G0.2 47.8G1.0
2 (1) 16.3G0.3 68.2G1.2
3 (1) 11.0G0.4 46.1G1.8
H2POK
4 –H3PO4 28.8G0.9 120.6G3.9 IR radiation 1999STR/SCH
F2O2PK–AlF4Na 45.2G5 189G21 MS 1989MAV/MIL

–F2NaO2P 58G20 243G84
–AlF4K 42.3G5 177G21
25.3 Arsenic clusters/complexes

Table 25.3 BDEs in Arsenic Clusters/Complexes
BDEs (boldfaceZ
recommended data;
GaAs(surf.)–As 60 251 Absorption 1968ART
GaAs(100, surf.)–Sb 10.4 (phys) 43.4 PED 1997ASC/AVI
GaAs(100, surf.)–Sb 57.7 241 AES 1980NAG/MIY
GaAs(100, surf.)–In 53.5G1.2 223.8G4.8 XPS 1989MCC/DON
GaAs(110, surf)–He 0.10, at 0 K 0.41 Scattering 1987DOA/NGU
GaAs(110, surf.)–H2 13.8 57.7 TPD 1984MOK/KOH
GaAs(110, surf.)–NO2 6G2 25G8 Mol. Beam 1993FEL/BAH
GaAs(110, surf.)–NO2 9G2 38G8 Mol. Beam 1995BAH/FEL
AsC–As (1) 63G10 264G42 (1) Derived (1) 1974GUR/KAR

(2) 95.7 400.3 (2) Derived (2) 1996SMI/YAT
IP in ref.
AsC–P 87.8G14.2 367G59 Derived from 1996NIST

IP in ref.
AsC–H 69.5G2.4 290.8G3.0 Derived from 1996NIST

IP in ref.
AsHC
2 –H 61.3 257 UV PI 1998RAN/SHU
AsC–O 118.3 495 Spectroscopy 2000NAG/RAJ
AsC–S 103.5G3.0 433G12.5 Spectroscopy 2000RAJ/NAG
I2AsC–acetone 25.4G4.6 106G17 FT-ICR 1995SIE/GRI

–benzene 18.4G4.6 77G17
AsK–As (1) 63.2 264.2 (1) Derived (1) 1996SMI/YAT

IP in ref.
–H (2) 69.8G2.4 292G10
25.4 Antimony clusters/complexes

Table 25.4 BDEs in Antimony Clusters/Complexes
BDEs (boldfaceZ
recommended data;
Sb(surf.)–Sb 33.9 141.8 Mol. beam 1994YAN/YAM
Sb(H, surf.)–Sb 31.1 130.3 TPD 1996NAK/KIM
GaAs(100, surf.)–GaSb 19.6 (phys) 82.0 MBE 1999WAN/FOR
GaAs(100, surf.)–GaSb 49.6 207.4 MBE 1999WAN/FOR
Cl5Sb–CH3CHCHCHO 21.2G0.4 88.7G1.7 Calorimetry 1982CHI/MUL

–CH3CHCHC(O)OCH3 18.0G0.4 75.3G1.7
–CH3C(CH3)CHCHO 24.3G0.5 101.7G2.1
–CH3CHCHCN 15.3G0.3 64.0G1.3
(continued)
Table 25.4 (continued) BDEs in Antimony Clusters/Complexes
BDEs (boldfaceZ
recommended data;
SbC–Sb (1) 74.7 312.5 (1) Derived (1) 1996SMI/YAT

(2) 76.9G1.5 322G6.3 (2) Derived from (2) 1996NIST
IP in ref.
SbC(Sb)x–Sb
xZ1 O66 O276 Evaporation 1995BRE/CHA(b)
2 O66 O276
3 O66 O276
SbC–H 54.7G1.0 228.8G4.2 Derived from 1996NIST

IP in ref.
–S 96.0G6.9 402G29
–P 56.2G6.9 235G29
SbK–Sb 77.5G2.0 324.3G8.4 Derived from 1996NIST

DfH0 in ref.
SbK
2 –Sb2 27.6G3 115.5G12.6
25.5 Bismuth-ion clusters/complexes

Table 25.5 BDEs in Bismuth Clusters/Complexes
BDEs (boldfaceZ
recommended data;
Bi(polycs. surf.)–H 36 151 Electro- 1970KRI

chemical
BiC–Bi (1) 44.5 186 (1) Derived (1) 1996SMI/YAT

IP in ref.
BiC–O (1) 41.0G12 172G50 (1) Derived from (1) 1996NIST

IP in ref.
(2) 41.6 174 (2) Derived (2) 2004LAV/BLA
BiC–S 42.8G12 179G50 Derived from 1996NIST

IP in ref.
–Te 29.8G12 125G50
BiC–Sb 43.9G7.0 184G29 Derived from 1996NIST

IP in ref.
BiC–Tl 24.0G10 100G42 Derived from 1996NIST

IP in ref.
BiC(H2O)x–H2O
xZ0 (1) 22.8 95.4 (1) HP MS (1) 1974TAN/CAS
1 (1) 17.7 74.1
2 (1) 14.0 58.6
3 (1) 12.0 50.2
4 (1) 10.5 43.9
5 (1) 9.7 40.6
BiC(NH3)x–NH3
xZ0 35.5 149 HP MS 1978CAS
1 23.2 97.1
2 13.4 56.1
BiC–C6H6 %35.5 %149 PD 1992WIL/YEH
BiK–Bi (1) 56.1G0.3 234.7G1.2 (1) PES (1) 1991POL/HO

(2) 65.5 274 (2) Derived (2) 1996SMI/YAT
IP in ref.
chapter twenty-six
BDEs in the O-, S-, Se-, Te-clusters

and complexes
26.1 Oxygen and the ion clusters/complexes

26.1.1 Oxygen clusters/complexes
Table 26.1.1 BDEs in Oxygen Clusters/Complexes
BDEs (boldfaceZ
recommended data;
O2–He 0.06, at 0 K 0.26 Scattering 1987BEN/CAS
NO–He 0.06, at 0 K 0.26 Scattering 1987BEN/CAS
SO–He w0.1, at 0 K w0.3 Mol. beam 1997AQU/ASC
H2O–He 0.06, at 0 K 0.27 Scattering 2005AQU/COR
O2–Ne 0.13, at 0 K 0.58 Scattering PIR/PIR
HO–Ne 0.15, at 0 K 0.61 Spectroscopy 1993HEA
SO–Ne w0.1, at 0 K w0.5 Mol. beam 1997AQU/ASC
(continued)
1243
Table 26.1.1 (continued) BDEs in Oxygen Clusters/Complexes
BDEs (boldfaceZ
recommended data;
H2O–Ne 0.13, at 0 K 0.55 Scattering 2005AQU/COR
Dimethylether–Ne 0.2, at 0 K 1.0 Spectroscopy 2003MAR/CAM
Propylene oxide–Ne 0.3, at 0 K 1.2 Spectroscopy 2002BLA/MAR(b)
2,5-dihydrofuran–Ne 0.3, at 0 K 1.2 Spectroscopy 1999MAR/FAV
O2–Ar (1) w0.29, at 0 K w1.2 (1) Review (1) 1976BLA/EWI

(2) 0.27 1.11 (2) Scattering (2) 1981PIR/VEC
HO–Ar (1) 2.1, at 0 K 8.6 Spectroscopy (1) 1993HEA

(2) 2.14 8.96 (2) 1999CAR/MIL
SO–Ar w0.4, at 0 K w1.6 Mol. beam 1997AQU/ASC
CO–Ar 0.3, at 0 K 1.3 Spectroscopy 1995KRA/CRE
CO2–Ar 0.48, at 0 K 1.98 Photofrag. 2000OUD/MIL(b)
H2O–Ar (1) 0.4, at 0 K 1.7 (1) IR (1) 1993COH/SAY

(2) 0.3 1.4 (2) Scattering (2) 2005AQU/COR
H2O(ice, surf.)–Ar 2.8 11.7 Review 1991ELL/TUR
CH3OH–Ar 0.43, at 0 K 1.8 Spectroscopy 2004MAR/CAM

BDEs in the O-, S-, Se-, Te-Clusters and Complexes 1245
C2H5OH–Ar 0.50 2.1

sec-C4H9OH–Ar 0.55 2.3
Phenol–Ar 1.04G0.04, 0 K 4.35G1.67 MATI 1999HAI/DES
Furan–Ar (1) w0.67, at 0 K w2.82 Spectroscopy (1) 1983KUK

(2) 0.74 3.01 (2) 1995BET/BET
Dibenzofuran–Ar %1.49G03, %6.23G0.14 MATI 1997GRE/STU

at 0 K
Dibenzo-p-dioxin–Ar 1.51G0.05 6.30G0.22
O–Kr !2 !8 Review 1974GUR/KAR
O2–Kr (1) w0.33 w1.38 Scattering (1) 1972TUL/LEE

(2) 0.31 1.29 (2) 1998AQU/ASC
HO–Kr (1) 4.91, at 0 K 20.5 Spectroscopy (1) 1993HEA

(2) 5.07 21.2 (2) 1999CAR/MIL
SO–Kr w0.5, at 0 K w2 Mol. beam 1997AQU/ASC
H2O–Kr 0.39, at 0 K 1.65 Scattering 2005AQU/COR
Propylene oxide–Kr 0.7, at 0 K 3 Spectroscopy 2002BLA/MAR
Oxirane–Kr 0.7, at 0 K 3.1 Spectroscopy 2002VEL/MIL
Propylene oxide–Kr 0.8, at 0 K 3.6 Spectroscopy 2003BLA/MEL
Dibenzo-p-dioxin–Kr 1.8, at 0 K 7.6 Spectroscopy 1995GRE/NEU
(continued)
BDEs (boldfaceZ
recommended data;
2,5-dihydrofuran–Kr 0.8, at 0 K 3.5 Spectroscopy 2000VEL/MEL
O–Xe 8.7 36.4 Review 1974GUR/KAR
O2–Xe 0.35, at 0 K 1.47 Scattering 1998AQU/ASC
SO–Xe w0.5, at 0 K w2.2 Mol. beam 1997AQU/ASC
H2O–Xe 0.46, at 0 K 1.92 Scattering 2005AQU/COR
Oxirane–Xe w0.9, at 0 K w3.9 Spectroscopy 2002VEL/FAV
H2O(ice, surf.)–220Rn 4.6G0.4 19.2G1.6 GC 2000EIC/ZIM
Poly(methyl- 3.0G0.2 12.7G0.7 Calorimetry 2005DIA/ZHU

methacrylate)–Pb
ClO3–F 57 238 EI 1957DIB/REE
H2O(ice, surf.)–O 8.4–9.6 35–40 Kinetics 2003MUR/PLA
CO–para-H2 (1) w0.06, at 0 K w0.26 IR (1) 1998MCK

–ortho-D2 (2) w0.09 w0.36 (2) 2000MCK
H2O(ice, surf.)–D2 1.8 7.6 TPD 2006AMI/FIL

O2–O2 (1) w0.24, at 0 K w1.0 (1) Review (1) 1976BLA/EWI

(2) 0.23 0.96 (2) Spectroscopy (2) 1998CAM/BIE
CO–CO 1.70G0.05 7.11G0.21 TPD 2005OBE/BRO
Phenol–CO 1.88G0.06, at 0 K 7.87G0.25 MATI 1999HAI/DES
H2O(ice, surf.)–CO (1) 3.5 14.6 (1) Review (1) 1991ELL/TUR

(2) w2.4 w10 (2) FT-IR (2) 1998ALL/VER
(3) 2.5G0.05 10.4G0.2 (3) IR (3) 2000MAN/ROU
Ti2O(110, surf.)CO–CO 9.9 41.4 TPD 1995LIN/LU
Ni(110, surf.)CO–CO 1.8 (phys.) 7.4 Diffraction 1993XIA/XIE
CO–N2 1.7 7.1 TPD 2005OBE/BRO
H2O–N2 0.8G0.4 3.2G1.7 CRDS 2005COR/HOD
Phenol–N2 (1) 1.27, at 0 K 5.32 MATI (1) 1998HAI/GEP

(2) 1.24G0.06 5.19G0.25 (2) 1999HAI/DES
H2O(ice, surf.)–N2 2.8 11.7 Review 1991ELL/TUR
H2O(ice, surf.)–NO 4.8G0.5 20G2.3 CL 2002RAU/EIC
CO–HF 2.09G0.0.25, 0 K 8.76G.1.04 Photofrag. 2000OUD/MIL
H2O–HF 6.2, at 0 K 25.9 IR 1975THO
(continued)
BDEs (boldfaceZ
recommended data;
OCO–HF 1.93G0.01, 0 K 8.06G0.05 Photofrag. 1998OUD/MIL
(CH2)2O–HF 5.48, at 0 K 22.9 FT-IR 2005ASS/GOU
CH3OCH3–HF 10.3, at 0 K 43.1 IR 1971THO

CH3OC2H5–HF 8.84 37.0
C2H5OC2H5–HF 7.17 30.0
OCO–HCl w1.23, at 0 K w5.14 IR 1996OUD/OLS
CH3OCH3–HCl (1) 7.1G0.8, at 0 K 29.7G3.3 (1) Raman (1) 1968GOV/CLA

(2) 6.7G0.4 28.0G1.7 (2) NMR (2) 1974GIL/BER
C2H5OC2H5–HCl 4.7G0.7, at 0 K 19.7G2.9 IR 1960INS/DIC
H2O(ice, surf.)–HCl (1) 11.0 46.0 (1) Review (1) 1991ELL/TUR

(2) 7.9G1.2 33G5 (2) Adsorption (2) 1994GRA/ROB
(3) 6.7G0.5 28G2 (3) Desorption (3) 1999ISA/SIT
(4) R8.3 R34.7 (4) Mol. beam (4) 2000AND/NAG
(5) 5.7G0.5 24G2 (5) Mol. beam (5) 2005LOH/DAY
H2O–HOO 9.4 39.3 Est. by exp. 2000ALO/FRA
H2O(ice, surf.)–O3 4.8 20 FT-IR 2001BOR/CHI
H2O(ice, surf.)–CO2 (1) 6.2 25.9 (1) Review (1) 1991ELL/TUR

(2) 5.1G0.5 21.2G1.9 (2) TR mol. (2) 2004AND/NAG
beam
H2O(ice, surf.)–NO2 5.3G0.2 22G1.0 CL 2002RAU/EIC
H2O–H2O (1) 5.35 22.4 (1) Re-analysis (1) 1974GUR/KAR

(2) 3.59G0.5, 15.0G2.1 (2) TC (2) 1979CUR/FRU
373 K
(3) 3.66, 0 K 15.3 (3) Spectroscopy (3) 1999FEL/LEF
(4) 4.3G1.4 18G6 (4) PA-kinetics (4) 2004GOE/WEN
(5) 3.8G0.1, 15.9G0.3 (5) CRDS (5) 2005COR/HOD
270–315 K
D2O–D2O (3) 3.66G0.5 15.3G2.1
(6) 2.50G0.3 10.5G1.3 (6) Raman (6) 2005SUN/ZHE
HDO–HDO (7) 5.1G0.5 21.3G2.1 (7) Raman (7) 2004WAL
HDO–H2O (8) 3.4G0.13, at 14.2G5.4 (8) Raman (8) 2005BET/SOR
289–370 K
H2O(ice, surf.)–H2O(ice) 5.6 (diffusion) 23.4 NMR 1987MIZ/HAN
H2O(ice, surf.)–H2O (1) 11.2 46.9 (1) NMR (1) 1987MIZ/HAN

(2) 13.9G0.2 58.2G0.8 (2) TPD (2) 2003SMI/LIV
(3) 12.0G1.4 50.2G5.9 (3) Kinetics (3) 2006PRA/BER
–H18
2 O (2) 13.8G0.2 57.7G0.8
–D2O (2) 14.8G0.4 61.9G1.7
H2SO4–H2O 10.6 44.3 Est. by exp. 2000NOP
C6H5OH–H2O (1) 5.60G0.11, 0 K 23.43G0.46 (1) PES (1) 1998COU/MON

(2) 5.48 22.91 (2) MATI (2) 2000BRA/MEH
1-Naphthol–H2O 5.82, at 0 K 24.34 MATI 2000BRA/MEH
Neutral red–H2O 2.40G0.01 10.05G0.06 Fluorescence 2005SIN/WAL
H2O–SO3 13 54.4 Flow reactor 1996LOV/HAN
(continued)
BDEs (boldfaceZ
recommended data;
HOH–NH3 2.92 12.21 Review 1995HIL/FRA
Phenol–NH3 O6.1 O25.5 Review 2002MON/DIM(b)
1-Naphthol–NH3 7.66G0.01 32.05G0.04 SEP-R2PI 1995BUR/DRO

–ND3 8.01G0.04 33.51G0.17
H2O(ice, surf.)–HONO 7.6G0.4 32G1.7 CL 2002RAU/EIC

–HNO3 10.5G0.5 44G2.3
H2O(ice, 1000, surf.)– w5.5 w23 HAS 1999GRA/MEN(b)

CHF3
Oxirane–CHF3 (1) 1.6 6.7 (1) FT-MW (1) 2004ALO/ANT

(2) 2.8 11.6 (2) IR (2) 2005DEL/HER
Oxirane–CHClF2 2.9 12.0 IR 2005DEL/HER

–CHCl2F 2.8 11.8
–CHCl3 2.6 10.8
CH3OCH3–CHF3 3.0 12.5 IR 2005DEL/HER

–CHClF2 3.0 12.5
–CHCl2F 2.9 12.2
–CHCl3 2.7 11.3
CH3COCH3–CHF3 2.6 10.9 IR 2005DEL/HER

–CHClF2 3.0 12.5
–CHCl2F 3.1 12.9
–CHCl3 3.3 13.7
Dioxane–CHF3 w1.6 w6.8 FT-MW 2005FAV/GIU
Cyclobutanone–CHF3 1.8 7.5 Spectroscopy 2006OTT/CAM
H2O–CF2H2 1.8 7.5 MW spectra 1999CAM/MAL(b)
Oxirane–CF2H2 2.3 9.6 Spectroscopy 2006BLA/LOP
H2O(ice, surf.)–CH4 0.50G0.05 2.1G0.2 IR 2000MAN/ROU

(phys.)
H2O(ice)–CH4 4.8G0.1, 220 K 20.0G0.6 ESR 2005TAK/NAN
H2O–CH4 13.1G1.4, 250 K 54.8G5.7 ESR 2005TAK/NAN
HOO–CH3OH 9.1G0.5, at 0 K 38.1G2.1 UV-Visible 2004CHR/OKU

spectr
CH3OH–CH3OH (1) 4.1G0.5 17.2G2.1 (1) NMR (1) 1969CLA/GOV

(2) 4.3 18.0 (2) Virial coeffic. (2) 1970KUD/EUB
(3) 3.5G0.9 14.7G3.8 (3) TC (3) 1981FRU/CUR
(4) 3.2G0.1 13.4G0.4 (4) IR (4) 1990BIZ/STO
CF3CH2OH–CH3OH 7.3G0.2 30.5G0.8 PVT 1988CUR/BLA

C3F6HOH–CH3OH 10.4G0.3 43.5G1.3
Phenol–CH3OH 6.11G0.18, 25.56G PES 1998COU/MON

at 0 K 0.75
1-Naphthol–CH3OH 7.56G0.39 31.63G1.63 SEP-R2PI 1995BUR/DRO
(continued)
BDEs (boldfaceZ
recommended data;
ROH–HOR; RZMe, Et, %6 %25 Raman 2006PAO/SAS

1-Oc, 2-Oc, t-Bu
HCOOH–HCOOH 15.15 63.4 Review 1978CHA/WZO
O2–C2F4 3.14G0.29 13.14G1.21 PI 1997CHE/PRE
H2O(ice, surf.)–C2H5OH (1) 14.8G0.4 61.9G1.7 (1) EI MS (1) 2002SOK/ABB

(2) 13.6G2 57G8 (2) Combined (2) 2004PEY/CAL
(CH3)2O–CF2CH2 1.13 4.76 FT-MW 2003TAT/OGA

(CH3)2O–CF2CFH 1.43 5.98
Phenol–C2H4 3.1, at 0 K 13.2 TR-IR-UV 2004KAY/EBA
C2H5OH–C2H5OH (1) 5.0G1.2 20.9G5.0 (1) IR (1) 1973BAR/HAL

(2) 3.7G0.9 15.5G3.8 (2) TC (2) 1981FRU/CUR
CF3CH2OH–CF3CH2OH (1) 5.7G1.2 23.8G5.0 (1) IR (1) 1973BAR/HAL

(2) 4.75 19.9 (2) TC (2) 1978CUR/FRU
CH3C(O)H–CH3C(O)H (1) 4.0 16.7 (1) PVT (1) 1960PRA/CAR

(2) 4.5 18.8 (2) Review (2) 1988CUR/BLA
CH3OCH3–CH3OCH3 1.3 5.4 MW spectra 2002TAT/LIU

Phenol–CH3OCH3 (1) O6.1, at 0 K O25.5 (1) Review (1) 2002MON/DIM(b)

(2) 6.0 25.1 (2) TR-IR-UV (2) 2002KAY/EBA
CH3C(O)CH3– (1) 3.9 16.3 (1) PVT (1) 1968AND/KUD

CH3C(O)CH3 (2) 3.22G0.35 13.47G1.46 (2) TC (2) 1978FRU/CUR
CF3COOH– (1) 14.4G1 60.2G4 (1) Vapor (1) 1966LIN/CHR

CH3C(O)CH3 density
(2) 7G1 29.3G4 (2) IR (2) 1977GER/TOK
H2O(ice, surf.)– (1) 17.5G2.8 73.2G11.7 (1) EI MS (1) 2002SOK/ABB

CH3COOH (2) 8.0G1.0 33.5G4.2 (2) Combined (2) 2005PIC/HOA
CH3COOH–CH3COOH (1) 14.9 62.4 (1) Review (1) 1978CHA/WZO

(2) 14.6 61.3 (2) TC (2) 1980FRU/CUR
CF3COOH–CH3COOH 17 71.1 Vapor density 1966LIN/CHR(b)
CF3COOH–CF3COOH (1) 14.5G0.6 60.7G2.5 (1) NMR (1) 1975BAD/COU

(2) 12.0G1.0 50.2G4.2 (2) IR (2) 1977GER/TOK
(3) 13.7G2.0 57.2G8.4 (3) TC (3) 1980FRU/CUR
CH3OCH3–CF3COOH 7.9G0.2 33.1G0.8 IR 1977GER/TOK

C2H5OC2H5–CF3COOH 8.4G0.2 35.1G0.8
C3H7OH–C3H7OH 3.4 14.2 Heat capacity 1961MAT/MCK
iso-C3H7OH– (1) 4.5 18.8 (1) Heat capacity (1) 1963HAL/COX

iso-C3H7OH (2) 5.3 22.2 (2) Heat capacity (2) 1964BER/LAR
(3) 4.1G0.9 17.2G3.8 (3) TC (3) 1981FRU/CUR
(continued)
BDEs (boldfaceZ
recommended data;
sec-C4H9OH– 5.25 22.0 Heat capacity 1962BEY/MCK

sec-C4H9OH
tert-C4H9OH– (1) 4.6 19.2 (1) Heat capacity (1) 1963BEY/MCK

tert-C4H9OH (2) 4.3G0.9 17.8G3.8 (2) TC (2) 1981FRU/CUR
H2O(ice, surf.)–C4H9OH 16.2G0.9 67.8G3.8 EI MS 2002SOK/ABB

–C5H11OH 17.1G1.6 71.5G6.7
–C5H11CHO 15.5G1.4 64.9G5.9
H2O(ice, surf.)–C4N2 10.0G1.2 42G5 TPD 2005GUE/TAM
H2O(ice, surf.)–PAN 7.2G0.3 30G1.2 CL 2002RAU/EIC

PANZCH3C(O)OONO2
CF3COOH– 11.7G1 49.0G4 Vapor density 1966LIN/CHR

cyclopentanone
1-C8H17OH–C8H18 !6.5, at 0 K !27.2 IR 2005PAO/SAS
O2–C6H6 1.6G0.3, at 0 K 6.7G1.3 PI 1992GRO/HAG
CO–C6H6 0.60, at 0 K 2.52 Spectroscopy 1995BET/BET
H2O–C6H6 (1) 1.63–2.78, 0 K 6.8–11.6 (1) Multi-PI (1) 1992GOT/ZWI

(2) 2.25G0.28 9.44G1.2 (2) PI (2) 1995CHE/GRO
(3) 2.44G0.09 10.23G0.39 (3) R2PI (3) 1998COU/MON(b)
D2O–C6H6 2.67G0.11 11.17G0.48 R2PI 1998COU/MON(b)
Phenol–C6H6 5.07G0.07, at 0 K 21.21G0.29 SEP-R2PI 1997WIC/DRO

–C6D6 5.08G0.06 21.25G0.25
O2–C6F6 2.1G0.4, at 0 K 8.8G1.7 PI 1992GRO/HAG
H2O–p-F-C6H4F 2.79G0.03, at 0 K 11.66G0.13 R2PI 1995BRE/BAR
H2O–C6H5CH3 2.5G0.1, at 0 K 10.6G0.4 IR PD 2004MIY/FUJ
H2O–naphthalene w3.0, at 0 K w12.5 PES 2000SCH/KNO

–azulene w25.6 w107
H2O–C6H5OH (1) 5.60G0.11 23.43G0.46 (1) PES (1) 1998COU/MON

(2) 5.48 22.90 (2) MATI (2) 2000BRA/MEH
Phenol–phenol 6.0, at 0 K 25.1 TR-IR-UV 2004KAY/EBA
H2O–M 1.29G0.0.31, 5.38G1.32 R2PI 2000MON/PIU

at 0 K
S-(C)-s-C4H9OH–M 2.00G0.0.31 8.37G1.32
R-(K)-s-C4H9OH–M 4.03G0.0.31 16.87G1.32
MZR-(C)-1-Ph-1-
C2H4OH
2-C3H7OH–M 3.7G0.2, at 0 K 15.3G1.0 R2PI 2000LAT/SAT

n-C4H9OH–M 2.6G0.2 10.9G1.0
S-(C)-s-C4H9OH–M 4.8G0.2 20.2G1.0
R-(K)-s-C4H9OH–M 5.9G0.2 24.5G1.0
S-(C)-s-C5H11OH–M 3.1G0.2 13.2G1.0
R-(K)-s-C5H11OH–M 4.7G0.2 19.6G1.0
MZR-(C)-1-Ph-1-
C3H6OH
(continued)
BDEs (boldfaceZ
recommended data;
H2O–NH(C6H5)(CHO) 5.65G0.30, 23.64G1.25 PES-TOF 2001MON/DIM

at 0 K
H2O–(CHO)C6H5NH 5.4G0.3 22.6G1.3
H2O–1-naphthol (1) 5.82G0.20, 24.34G0.83 (1) SEP-R2PI (1) 1995BUR/DRO

0K
(2) 5.82G0.20 24.34G0.83 (2) MATI (2) 2003BRA/NEU
D2O–d1K1-naphthol (3) 5.83G0.14 24.39G0.59 (3) Supersonic (3) 2002WIC/HEN
tech.
H2O–(trans-1-naphthol) 5.8G0.2, at 0 K 24.3G0.8 MATI 2003BRA/NEU
H2O–C6H5OCH3 3.69G0.11, 15.44G0.46 PI 2002MON/DIM(b)

at 0 K
CO–carbazole 2.05, at 0 K 8.57 SEP-R2PI 1995BUR/DRO(b)
CO–pyrrole 0.84, at 0 K 3.50 Spectroscopy 1995BET/BET
ZnO(0001, surf.)/ 13.6 57 TDS 2000HOV/KOL

O–pyridine
H2O–indole (1) 4.67G0.04, 19.52G0.18 (1) MATI (1) 1998BRA/GRE

0K
(2) 4.84G0.23 20.25G0.96 (2) DELFINE (2) 2000BRA/MEH
CH3OH–indole 5.60G0.37, 23.43G1.55 Review 2002MON/DIM(b)

at 0 K
H2O–1-methyl-indole 4.1G0.1, at 0 K 17.2G0.4 DELFINE 1999MON/DIM

H2O–3-methyl-indole 4.49G0.06, 18.80G0.24 MATI 2004GEO/NEU

at 0 K
H2O–L (air–water
interface)
LZNH3 9.8G1.2 41G5 Combined 2000MME/HIC
CH3NH2 6.7G0.7 28G3
(CH3)2NH 8.1G0.7 34G3
(CH3)3N 8.8G0.7 37G3
H2O–eugenol 4.81, at 0 K 20.11 REMPI 2004LON/UNA

2H2O–eugenol 5.52 23.09
CO2–perylene 3.56, at 0 K 14.89 Spectra 1993WIT/TOP
1-Naphthol–ethanol 7.94G0.02 33.22G0.08 Supersonic tech. 2002WIC/HEN

–oxirane 7.71G0.14 32.26G0.59
–oxetane O8.17 O34.18
CH3OH–CH3NH2 5.59G0.2 23.4G0.8 PVT 1974MIL/MIN

–(CH3)2NH 6.19G0.2 25.9G0.8
CH3OH–N(CH3)3 (1) 5.8G0.7 24.3G2.9 (1) NMR (1) 1969CLA/GOV

(2) 7.10G0.2 29.7G0.8 (2) IR (2) 1970FIL/SWI
(3) 6.91G0.2 28.9G0.8 (3) PVT (3) 1974MIL/MIN
(4) 3.4G0.6 14.1G2.4 (4) FT-MW (4) 1996TAN/IOA
CH3OH–(CH3)2NC(O)H 7.6G0.3 31.8G1.3 Derived 2006BIR/HUA
CH3OH–(C2H5)3NH 7.3 30.5 Vapor density 1976TUC/LIP
CH3OH–N(C2H5)3 (1) 8.2 34.3 (1) IR (1) 1966HIR/KOZ

(2) 7.5G0.5 31.4G2.1 (2) PVT (2) 1974MIL/MIN
(continued)
BDEs (boldfaceZ
recommended data;
(CF3)2CDOD–N(C2H5)3 6.5 27.2 Calorimetry 2003MAI/CAR

(CF3)2CDOD– 6.4 26.8
NEt(I–Pr)2
(CF3)2CDOD– 2.0 8.4 Calorimetry 2003MAI/CAR

N(C6H5)(CH3)2
(CF3)2CDOD–L
LZN-methyl 3.3 13.8 Calorimetry 2003MAI/CAR
morpholine
Quinuclidine 7.4 31.0
Phenol–cyclo-C6H12 6.92G0.03, 28.95G0.13 SEP-R2PI 1997WIC/DRO

at 0 K
Chiral complexes
(R)-2-naphthl-1- 2.0G0.3, at 0 K 8.4G1.3 R2PI 2001BAR/ZEH
ethanol–(R)-butan-
2-ol
(R)-2-naphthl-1- 1.3G0.3 5.4G1.3
ethanol–(S)-butan-
2-ol
(R)-2-naphthl-1- 3.1G0.3 13.2G1.3
ethanol–((S)-butan-
2-ol)2
Et2O–GaCl3 50.7 212.1 Thermochemical 1966GRE/SRI

–GaBr3 47.4 198.3
–GaI3 33.4 139.7
CH2FCH2OH–L (1) 4.6G0.4 19.2G1.7 Spectra (1) 2003BEL/REV

CF3CH2OH–L (1) 5.9G0.4 24.7G1.7
(CF3)2CHOH–L (2) 6.5G0.4 27.2G1.7 (2) 2005BEL/COL
LZCp*Fe(dppe)
HdppeZ1,2-
bis(diphenyl-
phosphino)ethane;
Cp*Zh-C5Me5
26.1.2 Positive oxygen-ion clusters/complexes

Table 26.1.2 BDEs in Positive Oxygen-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
H2OC–He 0.45, at 0 K 1.9 Combined 2001ROT/DOP
H2OC–Ne 1.36, at 0 K 5.69 Combined 2001DOP/ROT
HCOC–Ne 1.25, at 0 K 5.24 IRPD 1996NIZ/DOP
OC–Ar (1) 15.7G0.5 65.6G1.9 (1) Scattering (1) 1977DIN/KAR

(2) 8.1 33.8 (2) ICP MS (2) 1994NON/MAT
OC
2 ðArÞx –Ar
xZ0 (1) 3.14 13.1 (1) Review (1) 1994HIR/YAM
1 (1) 3.08 12.9
2 (1) 2.06 8.6
3 (1) 1.83 7.7
4 (1) 1.76 7.4
5 (1) 1.69 7.1
6 (1) 1.64 6.9
7 (1) 1.62 6.8
OC
4 ðArÞx –Ar
1 2.16 9.0
2 1.86 7.8
3 1.83 7.7
4 1.80 7.5
5 1.78 7.4
OC
6 ðArÞx –Ar
1 1.89 7.9
(continued)
Table 26.1.2 (continued) BDEs in Positive Oxygen-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
2 1.70 7.1
3 1.68 7.0
4 1.68 7.0
COC–Ar (1) 16–23 67–97 (1) PIPECO (1) 1989NOR/GUO

(2) 23.9G3.5 100.2G14.5 (2) TPEPICO (2) 1997MAH/BAU
COC
2 –Ar (1) 6.0, at 0 K 25.1 PI (1) 1983PRA/DEH
(2) 4.6G0.9 19.3G3.9 (2) 1985DEH
H2OC(Ar)x–Ar
xZ0 (1) 4.0–8.0 16.7–33.5 (1) PD (1) 2000DOP/ROT
1 (1) 4.0–8.0 16.7–33.5
2 (1) 3.1–4.3 13.0–18.0
3 (1) 3.1–4.3 13.0–18.0
4 (1) 1.7–2.1 7.1–8.8
5 (1) 1.7–2.1 7.1–8.8
6 (1) 1.7–2.1 7.1–8.8
7 (1) 1.7–2.1 7.1–8.8
8 (1) 1.7–2.1 7.1–8.8
9 (1) 1.7–2.1 7.1–8.8
(C6H5OH)C–Ar, p-bond (1) 1.530, 6.40 (1) MATI (1) 1999DES/HAI

at 0 K
(C6H5OH)C–Ar, s-bond (2) 1.92G0.40 8.01G1.67 (2) IR PD (2) 2001SOL/DOP
(C6H5OH)HC–Ar, 1.72G0.29 7.18G1.20 IR PD 2004SOL/DOP(c)

p-bond
(C6H5OH)HC–Ar, 1.86G0.43 7.78G1.79
s-bond
(C6H5OH2)C–Ar, 1.86G0.57, 7.78G2.39 IR PD 2004SOL/DOP(c)

p-bond at 0 K
(C6H5OH2)C–Ar, 3.29G0.86 13.76G3.59
s-bond
Dibenzo-p-dioxinC–Ar 2.05, at 0 K 8.58 Spectroscopy 1995GRE/NEU
(C10H9OH)C–Ar, s-bond 1.86G0.43 7.78G1.79 IR PD 2004AND/SOL
OC
2 –Kr 7.6 31.8 Photofrag. 1984JAR/MIS
H2OC–Kr 7.6G2.3 31.8G9.6 Photodissociation 1990KIM/KUO
COC
2 –Kr (1) 17.1, at 0 K 71.5 PI (1) 1985JAR/ILL
(2) 10.8G1.2 45.3G4.8 (2) 1985DEH
Dibenzo-p-dioxinC–Kr 2.62, at 0 K 10.98 Spectroscopy 1995GRE/NEU
OC–H (1) 118.3 494.8 (1) Spectroscopy (1) 1979HUB/HER

IP in ref.
HOC–H 128.2 536.4 Derived from 1998LIA/BAR

DfH0 in ref.
H2OC–H 144.1 602.9
OC–F (1) w80 w335 (1) Review (1) 1974GUR/KAR

IP in ref.
OC
2 –F 9.2 38.6 MS 1966MAL/MCG
FCOC–F 41.2G2 172.6G8 Derived from 1996ASH/APP

DfH0 in ref.
OC–O (1) 154.5 646.6 (1) Derived (1) 1979HUB/HER

IP in ref.
(continued)
BDEs (boldfaceZ
recommended data;
(FO)C–O 119.9 501.7 MS 1966MAL/MCG
OC–N (1) 251.11G 1050.64G (1) Derived (1) 1974GUR/KAR

0.04 0.17
(2) 251.11G 1050.64G (2) Derived from (2) 1996NIST
0.03 0.13 IP in ref.
HC(O2)x–H2
xZ0 12.5 52.3 HP MS 1979HIR/SAL
1 4.0 16.7
(H3O)C–H2 3.5G0.5 14.6G2.1 Scattering 1990OKU/YEH
(HCO)C–H2 3.9 16.3 HP MS 1975HIR/KEB
OC(O2)x–O2
xZ0 (1) 48.0 200.7 (1) PI (1) 1981LIN/ONO(b)
(2) 49.9 208.9 (2) PD (2) 1981MOS/OZE
(3) 42.9 179.5 (3) PD (3) 1982HIL/VES
1 (1) 6.9 28.9
2 (1) 0.9 3.9
OC
2 ðO2 Þx –O2
xZ0 (1) 9.6 40.2 (1) MS (1) 1964YAN/CON
(2) 9.5 39.7 (2) HP MS (2) 1969DUR/KEB
(3) 10.8 45.2 (3) MS (3) 1970CON/JAN
(4) 9.7 40.5 (4) PI (4) 1981LIN/ONO
(5) 9.15G0.5 38.3G2.1 (5) HP MS (5) 1988HIR
1 (3) 6.87 28.7
(5) 5.89G0.3 24.6G1.3
2 (3) 2.54 10.6
(5) 2.48G0.2 10.4G0.8

3 (3) 2.46 10.3
(5) 2.14G0.2 9.0G0.8
4 (3) 1.84 7.7
(5) 1.92G0.2 8.0G0.8
5 (5) 1.89G0.3 7.9G1.3
6 (5) 1.85G0.4 7.7G1.7
7 (5) w1.82 w7.6
(HO2)C(O2)x–O2
xZ0 (1) 20.0 83.7 HP MS (1) 1979HIR/SAL
1 (1) 6.6 27.6
(2) 6.87 28.7 (2) 1989HIR/MOR(e)
2 (1) w3.2 w13.4
(2) 2.66 11.1
3 (2) 2.52 10.5
4 (2) 2.17 9.1
5 (2) 1.96 8.2
6 (2) 1.95 8.2
7 (2) 1.81 7.6
8 (2) 1.72 7.2
PhenolC–CO 6.93G0.03, 29.00G0.13 MATI 1999HAI/DES

at 0 K
(H3O)C–OH 12.0G2.8 50.2G11.6 PI MS 1988TOM
OC–N2 55.3 231.4 Review 1986KEE/CAS
OC
2 ðN2 Þx –N2
xZ0 (1) 5.69 23.8 (1) MS (1) 1967JAN/CON
(2) 5.2 21.8 (2) HP MS (2) 1983SPE/FIT
(3) 5.0G0.3 20.9G1.3 (3) HP MS (3) 1988HIR/NAK
(4) 5.4 22.6 (4) Review (4) 2000SIE/GRE
1 (2) 4.3 18.0
(3) 4.5G0.3 18.8G1.3
2 (2) 3.5 14.6
(3) 4.2G0.3 17.6G1.3
3 (3) 4.0G0.3 16.7G1.3
4 (3) 2.71 11.3
5 (3) 2.45 10.3
6 (3) 2.26 9.5
(continued)
BDEs (boldfaceZ
recommended data;
7 (3) 2.11 8.8

8 (3) 1.86 7.8
9 (3) 1.68 7.0
10 (3) 1.35 5.6
(H3O)C(H2O)x–N2
xZ1 5.3G0.5 22.2G2.1 Diffusion tube 1987GHE/FIT
2 5.0G0.5 20.9G2.1
(H3O)C(N2)(H2O)x–N2
xZ1 4.9G1 20.5G4.2 Diffusion tube 1987GHE/FIT
2 5.2G1 21.8G4.2
3 4.4G1.3 18.4G5.4
(H3O)C(N2)2(H2O)x–N2
xZ1 7.8G2 32.6G8.4 Diffusion tube 1987GHE/FIT
2 9.0G2.7 37.7G11.3
3 w1.2 w5
(H3O)C(N2)3(H2O)2–N2 w3 w12.6 Diffusion tube 1987GHE/FIT
OC
4 –N2 2.94 12.3 Review 1986KEE/CAS
(C6H5OH)C–N2 4.72, at 0 K 19.7 MATI 1998HAI/GEP

(C6H5OH)C–N2, p-bond 2.14G0.43, 0 K 8.97G1.79 IR PD 2001SOL/DOP
(C6H5OH)C–N2, s-bond (1) 4.72, at 0 K 19.7 MATI (1) 1998HAT/GEP

(2) 4.69G0.03 19.62G0.12 (2) 1999HAI/DES
(C6H5OH)HC–N2, 2.14G0.43, 8.97G1.79 IR PD 2004SOL/DOP(c)

p-bond at 0 K
(C6H5OH)HC–N2, 3.72G1.00, at 15.55G4.18
s-bond 0K
(C6H5OH2)C–N2, p-bond 2.72G0.43, at 11.36G1.79 IR PD 2004SOL/DOP(c)

0K
(C6H5OH2)C–N2, s-bond 9.72G0.43, at 40.67G1.79
0K
(C10H9OH)C–Ar, p-bond 1.86G0.43, at 7.78G1.79 IR PD 2004AND/SOL

0K
(C10H9OH)C–Ar, s-bond 3.57G2.14, at 14.95G8.97
0K
OC
2 ðCOÞx –CO
xZ1 (1) 7.6 31.8 (1) Equilibrium (1) 2003HIR/KAT
2 (1) 7.5 31.4
3 (1) 7.3 30.5
4 (1) 3.5 14.6
5 (1) 3.4 14.2
6 (1) 3.4 14.2
7 (1) 3.3 13.8
8 (1) 2.4 10.0
9 (1) 2.3 9.6
10 (1) 2.3 9.6
11 (1) 2.3 9.6
12 (1) 2.3 9.6
13 (1) 2.3 9.6
(HCO)C(CO)x–CO
xZ1 (1) 4.89 20.5 (1) Review (1) 1994HIR/YAM
2 (1) 4.66 19.5
3 (1) 4.46 18.7
4 (1) 4.24 17.7
5 (1) 2.39 10.0
6 (1) 2.27 9.5
7 (1) 2.20 9.2
8 (1) 2.11 8.8
9 (1) 2.00 8.4
10 (1) 1.96 8.2
11 (1) 1.89 7.9
(continued)
BDEs (boldfaceZ
recommended data;
12 (1) 1.84 7.7

13 (1) 1.79 7.5
OC
2 ðCO2 Þx –CO2
xZ0 (1) 9.8G0.5 41.0G2.1 (1) HP MS (1) 1988HIR/NAK
1 (1) 8.6G0.5 36.0G2.1
2 (1) 6.2G0.3 25.9G1.3
3 (1) 5.1G0.3 21.3G1.3
4 (1) 4.5G0.5 18.8G2.1
5 (1) w4.0 w16.7
COC
2 ðCO2 Þx –CO2
xZ0 (1) 16.2 67.8 (1) HP MS (1) 1977MEO/FIE
(2) 11.8 49.4 (2) PI (2) 1981LIN/NG
(3) 15.8 66.1 (3) HP MS (3) 1982HEA/MAS
(4) 15.6G1.0 65.3G4 (4) HP MS (4) 1994HIR/YAM
(5) 16.8 70.3 (5) EI (5) 1994CAM/AIT
1 (1) 6.0 25.1
(2) 3.3 13.8
(4) 5.6G0.3 23.4G1.3
(5) 8.3 34.7
2 (2) 2.8 11.7
(4) 5.1G0.3 21.3G1.3
(5) 6.0 25.1
3 (4) 4.8G0.3 20.1G1.3
4 (4) 4.3G0.4 18.0G1.7
5 (4) w4.0 w16.7
(H3O)C(CO2)x–CO2
xZ0 (1) 14.4 60.2 HP MS (1) 1977MEO/FIE(b)
(2) 15.3 64.0 (2) 1986HIR/SHO
1 (2) 12.4 51.9
2 (2) 10.5 43.9
3 (3) 4.3 18.0 (3) 1994HIR/YAM
(HCO)C(CO2)x–CO2
xZ0 (1) 12.6 52.7 (1) Review (1) 1994HIR/YAM
1 (1) 7.2 30.1
2 (1) 6.9 28.9
3 (1) w6.2 w26
(HCO2)C(CO2)x–CO2
xZ0 (1) 18.0 75.3 (1) Review (1) 1994HIR/YAM
1 (1) 6.9 28.9
2 (1) 5.9 24.7
OC
2 ðON2 Þx –ON2
xZ0 (1) 10.7 44.8 HP MS (1) 1988ILL
(2) 13.4G1.0 56.1G4 (2) 1994HIR/FUJ
1 (2) 7.5G0.2 31.4G0.8
2 (2) 5.9G0.2 24.7G0.8
3 (2) 5.2G0.2 21.8G0.8
4 (2) 4.8G0.2 20.1G0.8
5 (2) 4.3G0.2 18.0G0.8
6 (2) 3.9G0.2 16.3G0.8
(H2O)C–ON2 24.0G1.4 100.3G5.8 CID 1997BAS/DRE
(H3O)C(ON2)x–ON2
xZ0 16.9G1.5 70.7G6.5 HP MS 1994HIR/FUJ
1 12.1G0.5 50.6G2.1
2 10.2G0.5 42.7G2.1
3 w5.2 w22
OC
3 –O3 16.1G9.2 67.5G39 EI 2002PRO/HER
OClOC–OClO 58.8G11.5 246G48 EI 2002PRO/HER
Cl2OC–OCl2 16.4G6.9 68.5G28.9 EI 2002HAN/FED
(continued)
BDEs (boldfaceZ
recommended data;
(H3O)C(HCN)x–HCN
1 18.8 78.7
2 13.2 55.2
(L)HC–HCN
LZH2C(O) 27.0 113 HP MS 1985SPE/MEO
CH3OH 25.7 108
CH3C(O)H 23.0 96.2
(CH3)2C(O) 20.4 85.4
C2H5C(O)OCH3 19.0 79.5
(c-C3H5)2C(O) 17.6 73.6
(L)HC–HCN
LZHC(O)NH2 19.3 80.8 HP MS 1985SPE/MEO
CH3C(O)N(CH3)2 15.8 66.1
OC
2 –H2O O16 O67 FA 1970ADA/BOH
(OH)C(H2O)x–H2O
xZ2 (1) 20.9 87.4 (1) QP MS (1) 2003FRO/LOV(b)
3 (1) 18.0 75.3
4 (1) 12.8 53.6
5 (1) 12.2 51.0
6 (1) 10.6 44.4
7 (1) 10.0 41.8
8 (1) 10.2 42.7
9 (1) 10.2 42.7
(OH)C(H2SO4)(H2O)x–
H2O
xZ4 (1) 13.6 56.9 (1) QP MS (1) 2003FRO/LOV(b)
5 (1) 11.9 49.8
6 (1) 10.7 44.8
7 (1) 10.9 45.6

8 (1) 11.6 48.5
9 (1) 11.3 47.3
10 (1) 11.3 47.3
11 (1) 11.6 48.5
12 (1) 10.7 44.8
13 (1) 10.5 43.9
(OH)C(H2SO4)2(H2O)x–
H2O
xZ4 (1) 13.6 56.9 (1) QP MS (1) 2003FRO/LOV(b)
5 (1) 12.1 50.6
6 (1) 11.3 47.3
7 (1) 11.8 49.4
8 (1) 12.0 50.2
9 (1) 11.7 49.0
10 (1) 11.9 49.8
11 (1) 11.6 48.5
12 (1) 11.6 48.5
13 (1) 11.3 47.3
14 (1) 10.5 43.9
(OH)C(H2SO4)3(H2O)x–
H2O
xZ5 (1) 12.1 50.6 (1) QP MS (1) 2003FRO/LOV(b)
6 (1) 12.3 51.5
7 (1) 12.5 52.3
8 (1) 12.1 50.6
9 (1) 12.1 50.6
(H2O)C–H2O (1) 36.4G3.0 152.4G12.6 PES (1) 1977NG/TRE

(2) 39.2 164.0 (2) 1982TOM/ACH
(H3O)C(H2O)x–H2O
xZ0 (1) 35.0G1.5 146G6 (1) HP MS (1) 1986HIR/TAK
(2) 33.5 140.2 (2) Review (2) 1992MEO
(3) 37.4G1.8 157G8 (3) GIB MS (3) 1993HON/SUN
(4) 36.0 150.6 (4) HP MS (4) 1997KEB/SEA
(5) 31.5G1.7 132G7 (5) GIB MS (5) 2004HON/ARM
(continued)
BDEs (boldfaceZ
recommended data;
1 (1) 20.2G1.5 85G6

(2) 20.8 87.0
(3) 22.2G0.8 93G3
(4) 22.3 93.3
(6) 20.9 87.4 (6) MS (6) 2003FRO/LOV(b)
2 (2) 17.4 72.8
(3) 17.9G0.5 74.9G2.1
(4) 17.0 71.1
(7) 17.9 74.9 (7) Review (7) 1994HIR/YAM
(8) 17.4 72.8 (8) FT-ICR (8) 1994THO/TON
3 (2) 12.3 51.5
(4) 15.3 64.0
(6) 12.8 53.6
(7) 12.7 53.1
(8) 13.9 58.2
4 (1) 11.8 49.4
(4) 13.0 54.4
(6) 12.2 51.0
(7) 11.6 48.5
(9) 10.5G0.6 43.9G2.5 (9) MS (9) 2003WAN/TSA
5 (1) 10.7 44.8
(4) 11.7 49.0
(6) 10.6 44.4
(9) 9.4G0.9 39.3G3.8
(10) 12.0 50.3 (10) TOF MS (10) 1993SHI/FOR
6 (4) 10.3 43.1
(6) 10.0 41.8
(9) 9.5G0.5 39.7G2.1
(10) 9.8 40.9
(11) 6.7 28.0
7 (6) 10.2 42.7
(10) 8.8 36.7
(11) 5.1 21.3 (11) CID (11) 1991MAG/DAV
8 (6) 10.2 42.7
(10) 8.9 37.2
(11) 5.7 23.8
9 (10) 9.3 38.9
(11) 6.7 28.0
10 (10) 9.8 41.1
(11) 6.7 28.0
11 (10) 10.3 43.1
(11) 6.9 28.9
12 (10) 10.6 44.4

(11) 6.7 28.0
13 (10) 10.7 44.9
(11) 6.8 28.5
14 (10) 10.8 45.3
(11) 6.7 28.0
15 (10) 10.8 45.0
(11) 6.0 25.1
16 (10) 10.8 45.0
(11) 6.6 27.6
17 (10) 10.7 44.6
(11) 6.3 26.4
18 (10) 10.5 44.1
(11) 7.0 29.3
19 (10) 10.4 43.6
(11) 9.1 38.1
20 (10) 10.3 43.2
(11) 7.3 30.5
21 (10) 10.5 43.7
(11) 5.9 24.7
22 (10) 10.3 43.0
(11) 6.4 26.8
23 (10) 10.1 42.1
(11) 6.6 27.6
24 (10) 9.7 40.7
(11) 7.1 29.7
25 (10) 9.4 39.4
(11) 6.3 26.4
26 (10) 9.1 37.9
(11) 8.2 34.3
(D3O)C(D2O)x–D2O
xZ0 31.5G2.6 132G11 CID 2004HON/ARM
1 19.6G0.5 82G2
2 15.8G0.2 66G1
(H2SH)C–H2O (1) 17.0 71.1 HP MS (1) 1977MEO/FIE

(2) 21 88 (2) 1977HIR/KEB
(CH2CO)C–H2O 11.6 48.5 EI 1986POS/RUT
(continued)
BDEs (boldfaceZ
recommended data;
(H2CO)HC(H2O)x–H2O
xZ0 (1) 26.8 112.1 (1) FA (1) 1978FEH/DOT
(2) 26.5 110.9 (2) ICR (2) 1980BER/BEA
(3) 27.9 116.7 (3) ICR (3) 1982LAR/MCM
(4) 27.7 115.9 (4) HP MS (4) 1984MEO
1 (1) 18.5 77.4
(4) 21.5 90.0
2 (1) 17.0 71.1
(4) 17.6 73.6
3 (4) 12.9 54.0
4 (4) 11.1 46.4
5 (4) 9.5 39.7
6 (4) 10.0 41.8
(HCOOH)HC–H2O 24.1 100.8 HP MS 1984MEO(b)
(CH3OH)HC(H2O)x–H2O
xZ0 (1) 25.4 106.3 HP MS (1) 1984MEO
(2) 27.6 115.6 (2) 1986HIR/TAK
1 (1) 21.0 87.9
(2) 19.8 82.8
2 (1) 14.8 61.9
(2) 14.1 59.0
3 (1) 11.6 48.5
(2) 11.6 48.5
4 (1) 9.1 38.1
(2) 9.8 41.0
5 (1) 9.4 39.3
(2) 8.9 37.2
6 (2) 8.9 37.2
(RSH)HC–H2O
RZMe 15.5 64.9 HP MS 1985MEO/SIE
Et 14.7 61.5
n-Pr 14.4 60.2
i-Pr 13.9 58.2
(CH3OH)2HC(H2O)x–
H2O
xZ2 11.2 46.9 HP MS 1973GRI/KEB
3 10.4 43.5
4 w9.4 w39
(CH3OH)3HC(H2O)x–
H2O
xZ1 11.8 49.4 HP MS 1973GRI/KEB
2 9.2 38.5
3 w9.3 w39
(CH3OH)4HC(H2O)x–
H2O
xZ0 12.1 50.6 HP MS 1986MEO
1 8.6 36.0
2 w9.1 w38
(CH3OH)5HC–H2O 10.0 41.8 HP MS 1986MEO
(C2H5OH)HC(H2O)x–
H2O
xZ0 (1) 24 100.4 HP MS (1) 1977KEB
(2) 26.5 110.9 (2) 1986HIR/TAK
1 (1) 19.2 80.3
(2) 18.7 78.2
2 (1) 14.2 59.4
(2) 13.4 56.1
3 (1) 12.5 52.3
(2) 11.3 47.3
4 (2) 9.7 40.6
5 (1) 13.1 54.8
(CHF2CH2OH)HC–H2O 30 126 ICR 1986KEE/CAS
(n-C3H7OH)HC(H2O)x–
H2O
xZ0 (1) 23.9 100 (1) HP MS (1) 1986HIR/TAK
1 (1) 17.9 74.9
(continued)
BDEs (boldfaceZ
recommended data;
2 (1) 13.0 54.4

3 (1) 11.0 46.0
4 (1) 9.5 39.7
5 (1) 8.8 36.8
(i-C3H7OH)HC(H2O)x–
H2O
xZ0 (1) 16.3 68.2 (1) HP MS (1) 1986HIR/TAK
1 (1) 16.4 68.6
2 (1) 12.5 52.3
3 (1) 10.5 43.9
4 (1) 9.6 40.2
5 (1) 8.8 36.8
6 (1) w7.9 w33
(CH3CO)C(H2O)x–H2O
xZ0 (1) 24.6 102.9 HP MS (1) 1978DAV/LAU
1 (2) 21.9 91.6 (2) 1979DAV/SUN
2 (3) 20.1 84.1 (3) 1984MEO(b)
(3) 17.8 74.5
3 (3) 12.9 54.0
4 (3) 10.8 45.2
5 (3) w10.3 w43
(CF3CH2OH)HC–H2O 31.1 130.1 ICR 1982LAR/MCM
(CH3CHO)HC(H2O)x–
H2O
xZ0 (1) 25.0 104.6 (1) HP MS (1) 1984MEO(b)
1 (1) 16.8 70.3
2 (1) 17.0 71.1
3 (1) 11.3 47.3
4 (1) 9.4 39.3
5 (1) 9.3 38.9
6 (1) 9.8 41.0

(CF3COOH)HC–H2O 28.6 119.7 ICR 1982LAR/MCM
(CH3OCHO)HC(H2O)x–
H2O
xZ0 (1) 21.5 90.0 (1) HP MS (1) 1984MEO(b)
1 (1) 16.2 67.8
2 (1) 13.6 56.9
3 (1) w11.0 w46
(CH3)2OHC(H2O)x–H2O
xZ0 (1) 22.6 94.6 (1) HP MS (1) 1974HIR/GRI
(2) 24.0 100.4 (2) HP MS (2) 1984MEO(b)
(3) 23.9 100 (3) CID (3) 2006GOE/CHE
1 (1) 15.3 64.0
(3) 15.3 64
(4) 16.7 69.9 (4) FT-ICR (4) 1994THO/TON
2 (1) 13.8 57.7
(3) 13.9 58
(4) 12.9 54.0
3 (1) 10.2 42.7
CH3CHCOCH3–H2O 11.2 46.9 HP MS 1986KEE/CAS
(CH3)2SHC(H2O)x–H2O
xZ0 13.1 54.8 HP MS 1985MEO/SIE
1 11.6 48.5
(R1R2S)HC–H2O
R1 R2
Me Et 12.6 52.7 HP MS 1985MEO/SIE
n-Pr n-Pr 12.2 51.0
(C2H5CO)C(H2O)x–H2O
xZ0 (1) 23.7 99.2 (1) HP MS (1) 1979DAV/MEZ
(continued)
BDEs (boldfaceZ
recommended data;
2 (2) 16.4 68.6 (2) HP MS (2) 1986KEE/CAS

3 (2) 12.7 53.1
((CH3)2CO)HC(H2O)x–
H2O
xZ0 (1) 20.5 85.8 (1) HP MS (1) 1984MEO(b)
1 (1) 13.6 56.9
2 (1) 12.7 53.1
3 (1) 10.3 43.1
4 (1) 10.3 43.1
((CH3)2CO)2HC(H2O)x–
H2O
xZ0 (1) 11.7 49.0 (1) Review (1) 1998MEO/SCH
1 (1) 13.8 57.7
2 (1) 10.9 45.6
3 (1) 8.9 37.2
4 (1) 8.6 36.0
((CH3)3CO)3HC(H2O)x–
H2O
xZ0 (1) 18.7 78.2 (1) Review (1) 1998MEO/SCH
1 (1) 9.7 40.6
2 (1) 8.2 34.3
3 (1) 8.6 36.0
(CH3COOH)HC(H2O)x–
H2O
xZ0 (1) 20.4 85.4 (1) Review (1) 1999MEO/ELM
1 (1) 17.8 74.5
2 (1) 12.9 54.0
3 (1) 10.8 45.2

(CH3COOH)2HC(H2O)x
–H2O
xZ0 (1) 14.8 61.9 (1) Review (1) 1999MEO/ELM
1 (1) 12.4 51.9
2 (1) 10.2 42.8
(CH3COOH)3HC(H2O)x
–H2O
xZ0 11.5 48.1 Review 1999MEO/ELM
1 10.4 43.5
(CH3COOH)4HC(H2O)– 10.9 45.6 Review 1999MEO/ELM

H2O
(L)HC–H2O
LZCH3COOCHCH2 19.2 80.3 HP MS 1986KEE/CAS
CH3COOCH2CH3 20.3 84.9
(CH3)2CH(OCH3) 10.8 45.2
(L)HC–H2O
LZCH3(N(CH3)2)CO 16.5 69.0 HP MS 1984MEO(b)
(C2H5)2O 20.9 87.4
CH3O(CH2)3OCH3 9 38
(n-C3H7)2OHC(H2O)x–
H2O
xZ0 (1) 21.3 89.1 HP MS (1) 1984MEO
(2) 18.8 78.7 (2) 1994MEO/SIE
1 (2) 13.2 55.2
2 (2) 12.5 52.3
3 (2) 10.5 43.9
4 (2) 10.2 42.6
5 (2) 9.4 39.3
(i-C3H7)2OHC–H2O 17.8 74.5 HP MS 1984MEO
(continued)
BDEs (boldfaceZ
recommended data;
(1,2-propanediol)
HC(H2O)x–H2O
xZ0 (1) 16.4 68.6 (1) EI-HP MS (1) 2004GIL/VIE
1 (1) 13.4G0.4 56.1G1.7
2 (1) 10.9G0.4 45.6G1.7
(1,3-propanediol)
HC(H2O)x–H2O
xZ0 14.6G1.1 61.1G4.6 EI-HP MS 2004GIL/VIE
1 12.6G0.6 52.7G2.5
2 13.6G0.5 56.9G2.1
(1,3-butanediol)
HC(H2O)x–H2O
2 8.9G0.8 37.2G3.3
(1,4-butanediol)
HC(H2O)x–H2O
2 11.3G0.3 47.3G1.3
(t-C5H11OOCCH3)HC 13.8 57.7 HP MS 1969FIE

–H2O
(MeO(CH2)2OMe)HC
(H2O)x–H2O
xZ0 (1) 15.1 63.2 (1) HP MS (1) 1984MEO(b)
(2) 16.4 68.6 (2) HP MS (2) 1994MEO/SIE
1 (2) 15.7 65.7
2 (2) 11.3 47.3
(Me(OC2H4)2OMe)HC
(H2O)x–H2O
xZ0 17.6 73.6 HP MS 1994MEO/SIE
1 13.1 54.8
2 !10.2 !42.7
(Me(OC2H4)3OMe)HC
(H2O)x–H2O
xZ0 (1) 20.4 85.4 (1) HP MS (1) 1994MEO/SIE
1 (1) 12.3 51.5
2 (1) 10.3 43.1
3 (1) 9.1 38.1
((MeCO)2CH2)HC
(H2O)x–H2O
xZ0 (1) 15.9 66.5 (1) HP MS (1) 1998MEO/SCH
1 (1) 11.2 46.9
2 (1) 9.5 39.7
3 (1) 9.0 37.7
4 (1) 9.7 40.6
5 (1) 9.3 38.9
(MeCO)2C2H4)HC
(H2O)x–H2O
xZ0 (1) 13.0 54.4 (1) HP MS (1) 1998MEO/SCH
1 (1) 13.1 54.8
2 (1) 10.7 44.8
3 (1) 9.7 40.6
(MeCOC2H4COMe)2HC 15.1 63.2 HP MS 1998MEO/SCH

–H2O
(Me(OC2H4)2OMe)2HC 20.6 86.2 HP MS 1996MEO/SIE

–H2O
(C6H13)2OHC–H2O 18.2 76.1 HP MS 1985MEO(b)
(CH3CN)HC(H2O)x–H2O
xZ0 (1) 24.8G1 103.8G4.2 (1) HP MS (1) 1986DEA/MEO
(continued)
BDEs (boldfaceZ
recommended data;
(2) 22.1G1.4 92.5G5.9 (2) GIB MS (2) 1993HON/SUN

1 (1) 17.5G1 73.2G4.2
(2) 15.0G1.7 62.8G7.1
(CH3CN)2HC(H2O)x–
H2O
xZ0 (1) 15.9 66.5 (1) HP MS (1) 1986DEA/MEO
1 (1) 15.3 64.0
2 (1) 10.3 43.1
3 (1) w9.7 w41
(CH3CN)3HC(H2O)–H2O 9.7 40.6 HP MS 1986KEE/CAS
((CH3)2O)2HC(H2O)x–
H2O
xZ0 (1) 16.3 68.2 (1) HP MS (1) 1974HIR/GRI
(2) 12.4 51.9 (2) FT-ICR (2) 1994THO/TON
1 (1) 13.6 56.9
(2) 14.3 59.8
2 (1) 11.6 48.5
((CH3)2O)3HC(H2O)x–
H2O
xZ0 23.0 96.2 HP MS 1974HIR/GRI
1 11.4 47.7
(c-C3H5)(CH3)COHC–
H2O
xZ0 (1) 11.8 49.4 (1) HP MS (1) 1984MEO(b)
1 (1) 10.2 42.7
2 (1) 10.0 41.8
3 (1) w9.7 w41
c-C5H10OHC–H2O 19.5 81.6 HP MS 1984MEO

(c-C3H5)2OHC–H2O 16.6 69.5
(c-C3H5)2COHC–H2O
xZ0 (1) 16.5 69.0 (1) HP MS (1) 1984MEO
1 (1) 11.2 46.9
2 (1) 8.9 37.2
3 (1) w9.1 w38
BHC(H2O)x–H2O BZ
tetrahydrofuran
(1) 21.8 91.2 HP MS (1) 1984MEO(b)
xZ0 (2) 19.8 82.8 (2) 1987HIR/TAK
1 (1) 13.1 54.8
BHC(H2O)x–H2O,
BZ2-methyl-
tetrahydrofuran
xZ0 18.5 77.4 HP MS 1987HIR/TAK
1 13.1 54.8
(FuranH)C–H2O (1) 10.2 42.7 HP MS (1) 1987HIR/TAK

(2) 10.4 43.5 (2) 1988NIC/SUN
FuraneC–H2O (1) 9.8 41.0
(Phenol)C–H2O (1) 18.6G0.1 78.0G0.6 (1) TP-ZEKE (1) 1994DOP/REI

(2) 18.54G0.11 77.57G0.46 (2) MATI (2) 1998COU/MON
(3) 18.6G0.1 78.0G0.6 (3) MATI (3) 2000BRA/MEH
(1-naphthol)C–H2O 15.9 66.4 MATI 2000BRA/MEH
(C6H5)(CH3)COHC–H2O 19.5 81.6 HP MS 1984MEO
(BH)C(H2O)x–H2O
BZ1,4-cyclohexanedione
xZ0 20.2 84.5 HP MS 1998MEO/SCH
(continued)
BDEs (boldfaceZ
recommended data;
1 13.6 56.9
(C6H5)(N(CH3)2)COHC– 15.1 63.2 HP MS 1985MEO(c)

H2O
(15-crown-5-ether)HC– (1) 12.8 53.6 HP MS (1) 1983MEO/SIE

H2O (2) 21.6 90.4 (2) 1984SHA/KEB
(18-crown-6-ether)HC– (1) 26.4 110.5 (1) HP MS (1) 1984SHA/KEB

H2O (2) 28.3 118.4 (2) FT-ICR (2) 1999RYZ/DUN(b)
(p-benzoquinone)HC– 21.5G0.5 90.0G2.3 HP MS 1996IRI/MEO

H2O
(BPTIC6HC)6C(H2O)x–
H2O
xZ0 21.3G1 89.1G4.2 MS 1997WOE/HUD
1 16 66.9
2 14 58.6
BPTIZbovine pancreatic
trypsin inhibitor
H2OHC(H2O)–H2S 13.7 57.3 HP MS 1977HIR/KEB
H2OHC(H2S)x–H2S
xZ0 24.9 104.2 HP MS 1977HIR/KEB
1 13.3 55.6
H3OC(H2O)x–HC(O)H
xZ0 (1) w32 w134 (1) FA (1) 1978FEH/DOT
(2) 32.2 124.7 (2) ICR (2) 1982LAR/MCM

(3) 32.9 137.7 (3) HP MS (3) 1984MEO
1 (1) 18.9 79.1
(3) 22.8 95.4
2 (1) 16.4 68.6
(3) 20.9 87.4
3 (3) 16.3 68.2
4 (3) 14.7 61.5
5 (3) 12.6 52.7
6 (3) 11.9 49.8
H2COHC–HC(O)H (1) 27.6 115.5 (1) FA (1) 1978FEH/DOT

(2) 27.7 115.9 (2) ICR (2) 1982LAR/MCM
H3OC(NH3)x–NH3
xZ0 54.8 229.3 HP MS 1986KEE/CAS
1 18.4 77.0
2 17.1 71.5
3 15.0 62.8
H3OC(H2O)(NH3)x–NH3
xZ0 37.9 158.6 HP MS 1986KEE/CAS
1 18.2 76.1
2 15.7 65.7
H3OC(H2O)2(NH3)x–NH3
xZ0 31.8 133.1 HP MS 1986KEE/CAS
1 17.3 72.4
(MeOCH2CH2)2OHC– 30.4G1.0 127.2G4.2 HP MS 1996MEO/SIE

NH3
(BH)C–NH3
BZoxirane 62.8 262.8 Derived 2002BOU/CHO
acetaldehyde 37.1 155.3
oxetane 61.9 258.9
propanal 40.0 167.3
tetrahydrofurane 40.0 167.3
(continued)
BDEs (boldfaceZ
recommended data;
butanal 41.4 173.4

tetrahydropyrane 37.4 156.3
pentanal 41.8 175.0
H3OC–PH3 34.5 144 ICR 1986KEE/CAS
H3OC–SO3 17.7 74 Flow reactor 1999POM/BAC
HOC–OsO3 101G16 423G67 Derived 1989IRI/BEA
(HCOOH)C–HCOOH 23.1G2.3 96.5G9.6 PES 1983TOM/ACH
H3OC(CH4)x–CH4
xZ0 8.0 33.5 HP MS 1972BEN/FIE(b)
1 3.4 14.2
(CH3OH)C–CH3OH 27.7G4.6 115.8G19.3 PES 1983TOM/KIM
HC(CH3OH)x–CH3OH
xZ1 (1) 33.1 138.5 (1) HP MS (1) 1973GRI/KEB
(2) 31.4 131.4 (2) ICR (2) 1982LAR/MCM
(3) 32.1 134.3 (3) HP MS (3) 1986MEO
(4) 31.6 132.2 (4) HP MS (4) 1992ELS/DAL
(5) 32.6 136.4 (5) Review (5) 1992MEO
2 (1) 26.3 110.0
(4) 21.2 88.7
(5) 21.2 88.7
(6) 27.6 115.5 (6) HP MS (6) 1994HIR/YAM
3 (1) 16.1 67.4
(4) 14.0 58.6
(6) 19.8 82.8
(7) 21.0 87.9 (7) HP MS (7) 2003RUS/IBR
4 (1) 13.5 56.5

(6) 14.1 59.0
(7) 14.3 59.8
5 (1) 12.5 52.3
(6) 11.6 48.5
(7) 11.3 47.3
6 (1) 11.9 49.8
(6) 9.8 41.0
7 (1) 12.0 50.2
(6) 8.9 37.2
H3OC(H2O)x(CH3OH)–
CH3OH
xZ0 (1) 24.5 102.5 HP MS (1) 1986MEO
1 (1) 16.4 68.6
(2) 18.0 75.3 (2) 1986KEE/CAS
2 (2) 14.4 60.2
3 (2) 13.2 55.2
((CH3)2O)HC(CH3OH)x
–CH3OH
xZ0 26.3 110 HP MS 1974HIR/GRI
1 18.8 78.7
2 15.9 66.5
3 13.7 57.3
((CH3)2O)2HC(CH3OH)x
–CH3OH
xZ0 18.1 75.7 HP MS 1974HIR/GRI
1 15.1 63.2
2 12.2 51.0
(BH)C–CH3OH
BZHC(O)OH 31.8 133.1 ICR 1982LAR/MCM
CH3CHO 32.4 135.6
C2H5OH 29.2 122.2
CH3CHCOCH3–CH3OH 13.1 54.8 HP MS 1986KEE/CAS
(continued)
BDEs (boldfaceZ
recommended data;
(CH3OCH2)2HC(B)x–B
BZCH3OH
xZ0 (1) 22.0 92.0 (1) HP MS (1) 1994MEO/SIE
1 (1) 14.4 60.2
2 (1) 12.6 52.7
3 (1) 10.2 42.7
4 (1) 9.2 38.5
5 (1) 8.9 37.2
C8 H17 OC4 –CH3OH 19.5 81.6 HP MS 1984SHA/KEB

(12-crown-4-etherHC)
C10 H21 OC5 –CH3OH 20.0 83.7
C12 H25 OC6 –CH3OH 20.0 83.7
(CH3OH)xHC
(CH3CN)–CH3OH
xZ1 20.9 87.4 HP MS 1991ELS/OLA
2 13.9 58.2
(CH3OH)HC 13.7 57.3 HP MS 1991ELS/OLA

(CH3CN)2–CH3OH
(phenol)C–CH3OH 21.40G0.18 89.53G0.75 PES 1998COU/MON
H3OC(H2O)x–CH3CN
xZ0 46.7 195.4 HP MS 1986KEE/CAS
1 32.6 136.4
2 28.7 120.1
3 22.4 93.7
4 20.1 84.1
5 18.6 77.8
(CH3CN)HC–CH3CN (1) 30.2G1 126.4G4 (1) HP MS (1) 1978MEO(b)

(2) 29.8G1 124.7G4 (2) HP MS (2) 1986DEA/MEO
(3) 31.1G2.3 130.1G10 (3) GIB MS (3) 1993HON/SUN
H3OC(CH3CN)x–CH3CN
xZ1 23.4 97.9 HP MS 1986DEA/MEO
2 20.6 86.2
H3OC(H2O)(CH3CN)x–
CH3CN
xZ1 21.2 88.7 HP MS 1986KEE/CAS
2 15.0 62.8
H3OC(H2O)x(CH3CN)–
CH3CN
xZ2 (1) 15.9 66.5 HP MS (1) 1986KEE/CAS
3 (2) 14.4 60.2 (2) 1986DEA/MEO
(CH3OH)HC(CH3CN)x–
CH3CN
xZ1 22.6 94.6 HP MS 1991ELS/OLA
2 7.0 29.3
(CH3OH)2HC 15.6 65.3 HP MS 1991ELS/OLA

(CH3CN)–CH3CN
R1R2OHC–CH3CN
R1 R2
Me Me 29.9 125.1 HP MS 1985SPE/MEO
Et Et 26.5 110.9
n-Pr n-Pr 25.6 107.1
C6H5 MeO 23.4 97.9
(R1R2CO)HC–CH3CN
R1 R2
Me Me 27.7 115.9 HP MS 1985SPE/MEO
Me MeO 27.0 113.0
Me EtO 25.8 107.9
(continued)
BDEs (boldfaceZ
recommended data;
Me t-Bu 25.0 104.6

i-Pr i-Pr 23.6 98.7
H MeNH 23.1 96.7
Me c-C6H11 25.7 107.5
H C6H5 25.6 107.1
Me C6H5 23.2 97.1
H3OC–CH3SH 34.5 144.3 ICR 1986KEE/CAS
CH3 OHC
2 –HC(O)OH 29.7 124.3 ICR 1982LAR/MCM
(AcAlaOCH3)HC– 28.6 119.7 HP MS 1984MEO

CH3NH2
AcZCH3C(O),
AlaZNHCH(CH3)C(O)
HCOC–C2H3 271.3 1135 Derived 1998SCH/BLA
CH2OC–C2H2 279.2 1168 Derived 1998SCH/BLA
(L)HC–CH3C(O)H
LZCH3OH 34.7 145.2 Review 1996KEE/CAS
CH3C(O)H 31.9 133.5
CH3C(O)OH 29.0 121.3
C2H5OH 31.2 130.5
(BH)C–CH3C(O)OH
BZCH3CHO 32.5 136.0 Review 1996KEE/CAS
CH3C(O)OH 29.5 123.4
C2H5OH 31.4 131.4
(CH3)2O 29.3 122.6
HC(B)x–B, BZ
CH3C(O)OH
xZ1 (1) 28.1 117.6 Review (1) 1992MEO
2 (1) 18.3 76.6
(2) 18.5 77.4 (2) 1999MEO/ELM
3 (1) 13.1 54.8
(2) 12.7 53.1
4 (1) 12 50
(2) 12.1 50.6
(B)x(H2O)HC–B,
BZCH3COOH
2 12.4 51.9
(B)2(H2O)2HC–B, 12.1 50.6 Review 1999MEO/ELM

BZCH3COOH
(N(CH3)2(CH3)COHC– 18.4 77.0 HP MS 1984MEO

CH3COOH
(H3O)C–B, 33.0 138.1 ICR 1982LAR/MCM

BZCF3COOH
(CF3COOH)HC–B 28.9 120.9
(H3O)C(H2O)x–(CH3)2O
xZ0 45.4 190.0 HP MS 1974HIR/GRI
1 29.1 121.8
2 23.4 97.9
3 17.9 74.9
HC(CH3OH)x–(CH3)2O
xZ1 35.0 146.4 HP MS 1974HIR/GRI
2 21.9 91.6
3 17.2 72.0
4 15.3 64.0
(continued)
BDEs (boldfaceZ
recommended data;
(H3O)C((CH3)2O)x–
(CH3)2O
xZ1 (1) 18.5 77.4 (1) HP MS (1) 1974HIR/GRI
2 (1) 16.8 70.3
(2) 21.7 90.8 (2) FT-ICR (2) 1994THO/TON
(H3O)C(H2O)
((CH3)2O)x–(CH3)2O
xZ1 16.4 68.6 HP MS 1974HIR/GRI
2 15.8 66.1
(H3O)C(H2O)2 16.9 70.7 HP MS 1974HIR/GRI

((CH3)2O)–(CH3)2O
CH3 OHC
2 ((CH3)2O)xK
(CH3)2O
xZ0 35.0 146.4 HP MS 1974HIR/GRI
1 20.2 84.5
(CH3OH)2HC
((CH3)2O)x–(CH3)2O
xZ0 21.9 91.6 HP MS 1974HIR/GRI
1 16.6 69.5
HC((CH3)2O)x–(CH3)2O
xZ1 (1) 30.7 128.4 HP MS (1) 1973GRI/KEB
(2) 29.5 123.4 (2) 1984MEO
(3) 32.1 134.3 (3) 1991MEO/SIE
(4) 30.7 128.4 (4) 1992MEO
2 (1) 10.1 42.3
(CH3COOH)HC–B, 31.1 130.1 Review 1986KEE/CAS

BZ(CH3)2O
(C2H5COOH)HC–B 30.2 126.4
(nC3H7OH)HC–B, 31.9 133.5 Review 1986KEE/CAS

BZ(CH3)2O
(iC3H7OH)HC–B 31.9 133.5
(1,4-dioxane)HC–B 29.9 125.1
(CH3CO)C–B, 12.5 52.3 PI 1978TRO/BLA

BZ(CH3)2CO
(CH3)2COC–B O12.4 O51.9
(B)xHC–B, BZ(CH3)2CO
xZ1 (1) 30.1 125.9 (1) HP MS (1) 1980LAU/SAL
(2) 32.1 134.3 (2) ICR (2) 1982LAR/MCM
(3) 30.0G0.5 125.5 (3) HP MS (3) 1991SZU/MCM
(4) 30.0 125.5 (4) HP MS (4) 1998MEO/SCH
(5) 30.7 128.4 (5) MIKES (5) 2005NOR/SOL
2 (4) 11.5 48.1
(6) 12.2 51.0 (6) HP MS (6) 1994HIR/YAM
3 (4) 9.7 40.8
(6) 8.5 35.6
(B)x(H3O)C–B,
BZ(CH3)2CO
xZ2 19.1 79.9 HP MS 1998MEO/SCH
3 12.5 52.3
(CH3COOCH3)HC– 30.5 128 ICR 1982LAR/MCM

(CH3)2CO
(BH)C–(CH3)2CO
BZCH3COOC2H5 30.0 125.5 Review 1996KEE/CAS
c-C4H8O 31.0 129.7
CH3COC2H5 29.4 123.0
1,4-dioxane 32.6 136.4
(C2H5)2O 29.3 122.6
(C2H5)2CO 28.5 119.2
(CH3)2COHC–(CH3)2SO 41.1 172.0 HP MS 1980LAU/SAL
(continued)
BDEs (boldfaceZ
recommended data;
(BH)C–C2H5OH
BZCH3OH 36.0 150.6 Review 1986KEE/CAS
CH3COH 32.9 137.7
CH3COOH 29.5 123.4
n-C3H7H 30.5 127.6
(BH)C–C2H5OH
BZiC3H7OH (1) 30.7 128.4 ICR (1) 1981BOM/BEA
nC4H9OH (2) 29.8 1124.7 (2) 1982LAR/MCM
(B)xHC–B BZC2H5OH
xZ1 (1) 32 133.9 (1) ICR (1) 1981BOM/BEA(b)
(2) 32.0 133.9 (2) ICR (2) 1982LAR/MCM
(3) 26.5 110.9 (3) HP MS (3) 1994HIR/YAM
(4) 36.9 154.4 (4) CERMS (4) 2003MAI/FED
2 (3) 18.7 78.2
(4) 21.9 91.7
3 (3) 13.4 56.1
4 (3) 11.3 47.3
5 (3) 9.7 40.6
((C2H5O)2H)C–C2H5OH 26.1G0.2 109G1 FT-ICR 2002FRI/MCM
(BH)C–C2H5OH
BZ1,3-propanediol 18.5G0.7 77.4G2.9 HP MS 1995CHE/STO
1,4-butanediol 17.4G0.7 72.8G2.9
BHC–B 32.7G0.7 136.8G2.9 HP MS 1995CHE/STO

BZOHCH2CH2OH
(CH3)2COHC–B, (1) 32.0 133.9 (1) ICR (1) MCM/MCM

BZCH3C(O)OCH3
BHC–B (1) 29.7 124.3

(2) 29.1 121.8 (2) HP MS (2) 1991SZU/MCM
(1,4-dioxane)HC– 30.5 127.6 ICR MCM/MCM

CH3C(O)OCH3
BHC–B, 27.3 114.2 HP MS 1986KEE/CAS

BZCH3C(O)OCHCH2
CH3OHC–B, 30.3 126.8 ICR 1982LAR/MCM

BZn-C3H7OH
C2H5OHC–B 32.1 134.3
BHC–B 31.6 132.2
n-C4H9OHC–B 31.5 131.8
(CH3)2OHC–B 30.4 127.2
(B)xHC–B,
BZn-C3H7OH
xZ1 (1) 31.4 131.4 (1) ICR (1) 1982LAR/MCM
(2) 30.4 127.2 (2) Review (2) 1992MEO
(3) 23.9 100.0 (3) HP MS (3) 1994HIR/YAM
2 (2) 21.6 90.4
(3) 17.9 74.9
(4) 18.9 79.1 (4) HP MS (4) 1990HIR/MOR
3 (2) 14.4 60.2
(3) 13.0 54.4
(4) 14.2 59.4
4 (2) 11.9 49.8
(3) 11.0 46.0
(4) 11.7 49.0
5 (2) 10.9 45.6
(3) 9.5 39.7
6 (2) 11.1 46.4
(3) 8.8 36.8
7 (2) 10.9 45.6
8 (2) 11 46
((C3H7O)2H)C–C3H7OH 25.1G0.1 105.1G0.6 FT-ICR 2002FRI/MCM
(continued)
BDEs (boldfaceZ
recommended data;
(BH)C–i-C3H7OH
BZC2H5OH 33.6 140.6 ICR 1986KEE/CAS
(CH3)2O 31.0 129.7
s-C4H9OH 32.0 133.9
t-C4H9OH 30.5 127.6
(BH)C–i-C3H7OH, 31 129.7 ICR 1981BOM/BEA(b)

BZi-C3H7OH
(B)xHC–B, BZi-C3H7OH
xZ1 (1) 16.3 68.2 (1) HP MS (1) 1994HIR/YAM
2 (1) 16.4 68.6
3 (1) 12.5 52.3
4 (1) 10.5 43.9
5 (1) 9.6 40.2
6 (1) 8.8 36.8
7 (1) w7.9 w33
(c-C6H10CO)HC–B 26.4 110.5 IMS 1999EWI/EIC

BZi-C3H7OH
((C3H7)2CO)HC–B 26.1 109.2
BHC–HCOOC2H5
BZHCOOC2H5 29.4 123.0 ICR 1982LAR/MCM
CH3)2O 31.2 130.5
1,4-dioxane 30.2 126.4
BHC–B, 27.9G0.4 116.7G1.7 HP MS 1995CHE/STO

BZOHCH2CH2
CH2OH
(OH(CH2CH2)2OH) 25.1G0.7 105.0G2.9
HC–B
BHC–B, BZ 30.2G0.9 126.4G3.8 HP MS 1995CHE/STO

OH(CH2CH2)2OH
(BH)C–CH3CO(C2H5)
BZ(CH3)CO 33.5 140.2 ICR 1982LAR/MCM
CH3CO(C2H5) 30.4 127.2
(C2H5)2CO 30.4 127.2
BHC–B, BZ (1) 30.1 125.9 (1) ICR (1) 1982LAR/MCM

CH3COOC2H5 (2) 29.2 122.2 (2) HP MS (2) 1991SZU/MCM
BHC–B, BZ(C2H5)2O (1) 31.2 130.5 (1) ICR (1) 1982LAR/MCM

(2) 29.8 124.7 (2) HP MS (2) 1984MEO
(3) 31.2 130.5 (3) HP MS (3) 1991SZU/MCM
(BH)C–(C2H5)2O
BZ(C2H5)2CO 29.5 123.4 Review 1986KEE/CAS
(n-C3H7)2O 29.3 122.6
(i-C3H7)2O 26.0 108.8
(Tetrahydrofuran) 32.3 135.1 ICR 1982LAR/MCM

HC–(C2H5)2O
(BH)C–C2H5COCH3
BZC3H7OCOCH3 28.9 120.9 IMS 1999EWI/EIC
CH3COCH3 28.5 119.2
C4H9OH 27.0 113.0
C4H9NH2 24.5 102.5
(DMMP)HC– 24.1 100.8 IMS 1999EWI/EIC

C2H5COCH3
DMMPZdimethyl
methylphosphanate
(continued)
BDEs (boldfaceZ
recommended data;
(DMDP)HC–B, BZn- 21.6 90.4 IMS 1999EWI/EIC

C4H9OH
DMMPZdimethyl
methylphos-phanate
(2,4-lutidine)HC–B 20.8 87.0
(C2H5OH)HC–B, 33.1 138.5 Review 1986KEE/CAS

BZn-C4H9OH
(C3H7OH)HC–B 31.3 131.0
BHC–B 31.5 131.8
(i-C3H7OH)HC–B, (1) 33 138.1 (1) ICR (1) 1981BOM/BEA(b)

BZs-C4H9OH (2) 28.1 117.6 (2) IMS (2) 1999EWI/EIC
BHC–B (1) 32.6 136.4
(c-C6H10CO)HC–B (2) 27.8 116.3
((C3H7)2CO)HC–B (2) 27.6 115.5
(2,4-lutidine)HC–B (2) 21.3 89.1
(i-C3H7OH)HC–B, (1) 31 129.7 (1) ICR (1) 1981BOM/BEA(b)

BZt-C4H9OH (2) 28.9 120.9 (2) IMS (2) 1999EWI/EIC
BHC–B (1) 31 129.7
((C3H7)2CO)HC–B (2) 26.7 111.7
(c-C6H10CO)HC–B (2) 27.0 113.0
(2,4-lutidine)HC– 20.8 87.0 IMS 1999EWI/EIC

C4H9NH2
BHC–B, BZ
MeCO(CH2)xCOMe
xZ1 26.0 108.8 HP MS 1998MEO/SCH
2 22.5 94.1
BHC–B, 27.1 113.4 HP MS 1991SZU/MCM

BZc-C3H5(CO)CH3
BHC–B, BZ(C2H5)2CO (1) 30.2 126.4 (1) ICR (1) 1982LAR/MCM

(2) 28.9 120.9 (2) HP MS (2) 1991SZU/MCM
(3) 31.2 130.5 (3) HP MS (3) 1994MEO/SIE
(CH3)(C2H5)COHC–B (1) 31.9 133.5
(CH3)2COHC–B (1) 34.0 1142.3
BHC–B (1) 31.8 133.1
c-C4H8OHC–B (1) 32.6 136.4
(Tetrahydrofuran)HC–B (1) 33.0 138.1
BHC–B,
BZMe(OCH2CH2)xOMe
xZ1 (1) 22.8 95.4 HP MS (1) 1984SHA/BLA
(2) 27.4 114.6 (2) 1994MEO/SIE
2 (3) 21.3 89.1 (3) 1994MEO/SIE
BHCBx–B, BZnC5H11OH
xZ1 (1) 22.0 92.0 (1) HP MS (1) 1992MEO
2 (1) 14.0 58.6
3 (1) 11.9 49.8
4 (1) 11.0 46.0
(i-C3H7OH)HC–B, 29.3 122.6 IMS 1999EWI/EIC

BZnC5H11OH
(t-C4H9OH)HC–B 29.5 123.4
(s-C4H9OH)HC–B 27.8 116.3
BHC–B, BZt-C5H11OH 31 129.7 ICR 1981BOM/BEA(b)
(C2H5)2OHC–B,
BZ(nC3H7)2O (1) 32.4 135.6 (1) ICR (1) 1982LAR/MCM
(2) 30.9 129.4 (2) HP MS (2) 1994MEO/SIE
BHC–B (1) 29.9 125.1 (3) Derived (3) 1984MEO
(3) 30.2 126.4
(C2H5COCH3)HC–B (4) 28.8 120.5 (4) IMS (4) 1999EWI/EIC
(sC4H9OH)HC–B (4) 28.0 117.2
(nC4H9NH2)HC–B (4) 25.1 105.0
(continued)
BDEs (boldfaceZ
recommended data;
(C2H5)2OHC–B,
BZ(iC3H7)2O (1) 32.3 135.1 (1) ICR (1) 1982LAR/MCM
BHC–B (1) 26.6 111.3 (2) HP MS (2) 1984MEO
(2) 27.0 113.0
(C3H7OC3H7)HC–B, BZ 29.4 123.0 IMS 1999EWI/EIC

C4H9OC(O)CH3
(s-C4H9OH)HC–B 28.1 117.6
(C4H9COOH)HC–B 26.9 112.5
(C4H9NH2)HC–B 25.1 105.0
(2,4-lutidine)HC–B 22.6 94.6
BHC–B, BZCH3COO 9.1 38.1 HP MS 1969FIE

-t-C5H11
(C6H10CO)HC–B, BZ 29.2 122.2 IMS 1999EWI/EIC

(C3H7)2CO
(C2H5COCH3)HC–B 28.3 118.4
(CH3COCH3)HC–B 27.3 114.2
(C2H5COCH3)HC–B
BZc-C6H10CO 28.6 119.7 IMS 1999EWI/EIC
(CH3COCH3)HC–B 27.6 115.5
BHC–B, 30.5 127.6 HP MS 1984MEO

BZ(n-C4H9)2OH
(C2H5COCH3)HC–B
BZ2,4-lutidine 22.0 92.0 IMS 1999EWI/EIC
(C4H9NH2)HC–B 20.8 87.0
(CH3)2OHC–B, BZ1,4- (1) 31.7 132.6 (1) HP MS (1) 1984MEO

dioxane
(CH3)2COHC–B (1) 30.0 125.5
(2) 30.5 127.6 (2) ICR (2) 1982LAR/MCM
BHC–B (1) 30.9 129.3
(2) 31.4 131.4
(HCOOC2H5)HC–B (2) 30.3 126.8
BHC–B, BZc-C5H10O 32.6 136.4 HP MS 1984MEO

BHC–B 33.2 138.9
(C2H5)2OHC
2 –C6H6 21 87.9 HP MS 1985DEA/MEO
BHC–B, BZC6H5COCH3 26.8 112.1 HP MS 1991MEO/SIE
BC(B)x–B, BZfuran
xZ0 (1) 22.5 94.1 HP MS (1) 1986KEE/CAS
(2) 17.2 72.0 (2) 1987HIR/TAK
1 (2) !7 !29
BxHC–B,
BZtetrahydrofuran
xZ0 (1) 32.9 137.7 HP MS (1) 1982LAR/MCM
(2) 32.6 136.4 (2) 1984MEO
(3) 29.9 125.1 (3) 1986HIR/TAK
1 (4) 7.6 31.8 (4) 1987HIR/TAK
BHC–(CH3)2CO, 31.5 131.8 ICR 1982LAR/MCM

BZtetrahydrofuran
(CH3)2COHC–B, (1) 34.0 142.3 (1) ICR (1) 1982LAR/MCM

BZtetrahydrofuran (2) 33.4 139.7 (2) HP MS (2) 1984MEO
(C2H5)2COHC–B (1) 30.9 129.3
(2) 30.1 125.9
(C2H5)2OHC–B (1) 31.3 131.0
(2) 30.4 127.2
BHC–B, BZ2- 27.4 114.6 HP MS 1986HIR/TAK

methyltetrahydrofuran
26.1.3 Negative oxygen-ion clusters/complexes

Table 26.1.3 BDEs in Negative Oxygen-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
OK–Ar (1) 2.2G2.0 9.2G8.4 PES (1) 1995ARN/HEN

(2) 2.4 9.9 (2) 2002CLE/HEN
OK
2 –Ar 1.6 6.7 Photodetach. 1988BOW/EAT
OK–Kr 3.5 14.6 PES 2003CLE/HEN
OK–Xe 5.6 23.5 PES 2003CLE/HEN
OK–Cs 42.4G3.5 177.5G14.5 PES 1994SAR/HEN(b)
OK–Sc 161.1G1.1 674.0G4.6 PES 1998WU/WAN

–Y 167.1G0.9 699.1G3.8
OK–Ti 155.9G2.0 652.3G8.4 Derived from EA 1996NIST

–V 146.9G1.0 614.6G4.2 in ref.
OK(O)x–Cr
xZ0 (1) 98.8G2.1 413.4G8.8 PES (1) 1996WEN/GUN
1 (2) 147.6G8.6 617.6G36 (2) 1997WEM/JON
OK–Mn 84.5G6.0 354G25 Derived from EA 1996NIST

in ref.
OK–Fe 94.4G4.0 395.0G17 PES 1997DRE/BOE

OK–Co 91.6G3.6 383G15 Derived from EA 1996NIST

in ref.
OK–Ni 87.7G7.2 367G30 Derived from EA 1996NIST

–Pd 59.4G3.0 249G12.6 in ref.
OK–Cu 74.4G2.4 311G10 Derived from EA 1996NIST

in ref.
OK–Zn 68.2G1.0 285.4G4.2 Derived from EA 1996NIST

in ref.
OK–B (1) 216.5 906 (1) PES (1) 1997WEN/KIM

(2) 206 861 (2) Derived (2) 2003DEA/LI
OK–Al (1) 149G12 623G50 (1) PES (1) 1996DES/WU

(2) 195 815 (2) Derived (2) 2003DEA/LI
OK–H (1) 110.7G0.2 463.1G0.8 (1) Derived (1) 1974GUR/KAR

(2) 111 464.4 (2) Re-anal. (2) 1990GOL/BIE
(3) 111.21G 465.28G0.34 (3) Derived from (3) 1996NIST
0.08 DfH0 in ref.
–D (3) 112.1 469.0
OK
2 –H (1) 66 276 (1) Derived (1) 1990NAS/VOL
(2) 63.8 266.9 (2) Re-anal. (2) 1990GOL/BIE
(3) 63.4G0.5 265.3G2.1 (3) CID (3) 2003BLA/KAT
C(O)OK–H 76 318 Derived from DfH0 1988LIA/BAR

in ref.
OK–Br 76.1 318.3 Derived 2000XIE/SCH
(continued)
Table 26.1.3 (continued) BDEs in Negative Oxygen-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
OK–O (1) 95.3 398.7 (1) Derived (1) 1979HUB/HER

(2) 95.9G1 401.2G4.2 (2) PES (2) 1989TRA/COW
(3) 95.6G0.2 399.9G0.7 (3) RecommendED (3) 2003ERV/ANU
HOK–O 47.9G0.5 200.4G2.1 Derived 2003BLA/KAT
ClOK
3 –O 66G10 276G42 Derived from DfH0 1996NIST
in ref.
OK
2 –O 64.0 267.8 Derived 1986NIM/ELL
CH3OK–O 49.1G1.6 205.4G6.7 Derived 2003BLA/KAT
OK–S (1) 116.1G2.1 485.8G8.8 (1) PES (1) 1970FEL

(2) 101.6 425.1 (2) PES (2) 1991POL/FIA
0.02 EA in ref.
OK–Se 111.9G5.0 468.2G20.9 PES 1986COE/SNO
OK–Te 95.6G5.0 400G21 PES 1986FRE/COE
OK–N (1) 121G2 506G8 (1) Derived (1) 1974GUR/KAR

(2) 116.6 487.8 (2) Derived (2) 1979HUB/HER
0.37 EA in ref.
OK–P (1) 133.5G0.8 558.6G3.3 (1) PES (1) 1976ZIT/LIN

EA in ref.
OK–As 110.2G1.8 461.0G7.7 PES 1998LIP/XU
OK–Bi 84.3G4.6 353G19 Derived from EA 1996NIST

in ref.
OK–C (1) 187.5 784.5 (1) Derived (1) 1979HUB/HER

EA in ref.
OK–Sn 106.3G2.3 444.7G9.6 Derived from EA 1996NIST

in ref.
–Pb 72.3G0.4 302.7G1.6
OK–O2 (1) 42 176 (1) CID (1) 1978LIF/WU

(2) 38 159 (2) PF (2) 1978COS/MOS
(3) 40.1 167.8 (3) Derived (3) 1986NIM/ELL
(4) 39.0 163.1 (4) PD (4) 1996GAR/SHE
OK
2 ðO2 Þx –O2
xZ0 (1) 13.6 56.9 (1) HP MS (1) 1968CON/NES
(2) 10.5G0.5 43.9G2.1 (2) HP MS (2) 1988HIR
(3) 9.0G1.2 37.6G4.8 (3) Photodetach. (3) 1995CON/SHE
(4) 9.0G0.5 37.6G1.9 (4) PD (4) 1996SHE/HAN
1 (2) 2.51G0.2 10.5G0.8
2 (2) 2.40G0.2 10.0G0.8
3 (2) 1.75G0.3 7.3G1.3
4 (2) 1.54G0.2 6.4G0.8
5 (2) 1.47G0.3 6.2G1.3
6 (2) w1.4 w5.9
OK
3 ðO2 Þx –O2
xZ0 (1) 2.08G0.2 8.7G0.8 (1) HP MS (1) 1988HIR
1 (1) 2.04G0.2 8.5G0.8
2 (1) 2.01G0.3 8.4G1.3
3 (1) 1.56G0.3 6.5G1.3
4 (1) w1.53 w6.4
(continued)
BDEs (boldfaceZ
recommended data;
HOK–H2 w7 w29 CID 1984PAU/HEN
OK–OH 56.4G0.5 236.0G2.1 CID 2003BLA/KAT
OK–ClO 79.9G1.4 334.3G5.9 PES 1992GIL/POL
OK–SO 123.9G1.2 518.4G5.0 PES 1986NIM/ELL
OK–PO 165.5G2.5 692.5G10.5 PES 1996XU/DEB
OK–S2 112.6 471.1 PES 1986NIM/ELL
OK–HF 43.8G2.3 183.3G9.6 PPC 2005DEY/CON
HOK–HF 44 184 Derived 1971YAM/KEB

–HCl 70.1 293
PhOK–HCl 39.1 164 Derived 1971YAM/KEB
HOK–HBr 79.3 332 Derived 1971YAM/KEB

–HI 86.3 361
OK–N2 11.2G2.9 46.9G12.1 Derived 1978TIE/WU
OK
2 –N2 6.0G1.0 25.1G4.2 PES 1988POS/JOH
OK
3 ðN2 Þx –N2
xZ0 (1) 2.72G0.2 11.4G0.8 (1) HP MS (1) 1988HIR
1 (1) 2.62G0.2 11.0G0.8
2 (1) 2.54G0.2 10.6G0.8
3 (1) 2.26G0.2 9.5G0.8
4 (1) 2.06G0.2 8.6G0.8
5 (1) 1.97G0.2 8.2G0.8
6 (1) 1.82G0.2 7.6G0.8
7 (1) 1.70G0.3 7.1G1.3
8 (1) 1.51G0.4 6.3G1.7
OK
4 ðN2 Þx –N2
xZ0 (1) 2.87G0.2 12.0G0.8 (1) HP MS (1) 1988HIR
1 (1) 2.79G0.2 11.7G0.8
2 (1) 2.45G0.2 10.3G0.8
3 (1) 2.16G0.2 9.0G0.8
4 (1) 1.93G0.2 8.1G0.8
5 (1) 1.81G0.2 7.6G0.8
6 (1) 1.70G0.2 7.1G0.8
7 (1) 1.60G0.3 6.7G1.3
8 (1) w1.5 w6.4
OK–NO 92.0G0.2 384.9G0.9 PES 1988ERV/HO
OK
2 ðCOÞx –CO
xZ0 3.5 14.6 HP MS 2003HIR/KAT
1 w3.4 w14
OK
3 ðCOÞx –CO
xZ1 2.8 11.7 HP MS 2003HIR/KAT
2 2.7 11.3
3 2.5 10.5
4 2.5 10.5
5 2.5 10.5
OK
4 ðCOÞx –CO
xZ0 (1) 3.4 14.2 (1) HP MS (1) 2003HIR/KAT
1 (1) 3.4 14.2
2 (1) 3.4 14.2
(continued)
BDEs (boldfaceZ
recommended data;
3 (1) 3.4 14.2

4 (1) 3.0 12.6
5 (1) 3.0 12.6
6 (1) 2.5 10.5
7 (1) 2.4 10.0
8 (1) 2.3 9.6
9 (1) 2.2 9.2
10 (1) 1.7 7.1
COK
3 ðCOÞx –CO
xZ0 2.8 11.7 Equilibrium 2003HIR/KAT
1 2.7 113
2 2.4 10.0
3 2.3 9.6
OK(CO2)x–CO2
xZ0 (1) 51 213 (1) FA (1) 1977DOT/DAV
(2) 43.8 183.3 (2) PD (2) 1979SMI/LEE
(3) 52G1 217.6G4.2 (3) PD (3) 1980HIL/VES
(4) 57.7 241.4 (4) CIS (4) 1981WU/TIE
(5) O52.3 O218.8 (5) PD (5) 1985HUN/HOF
1 (6) 7.1 29.7 (6) HP MS (6) 1980KEE/LEE
OK(H2O)–CO2 36.4 152.3 PD 1991ROE/SNO
OK
2 ðCO2 Þx –CO2
xZ0 (1) 18.4 77.0 (1) MS (1) 1966PAC/PHE
(2) 19.0 79.5 (2) HP MS (2) 1991HIR/YAM
1 (2) 6.57 27.5
(3) 7.1 29.7 (3) HP MS (3) 1981KEE/LEE
2 (2) 6.34 26.5
3 (2) 4.79 20.0
4 (2) 4.46 18.7
5 (2) 4.21 17.6

6 (2) 3.99 16.7
(OH)K–CO2 50.3G2.5 210.5G10.5 Combined 1992SQU(b)
NOK
2 ðCO2 Þx –CO2
xZ0 (1) 7.27 30.4 Review (1)1994HIR/YAM
1 (1) 6.68 27.9
2 (1) 6.34 26.5
3 (1) 6.04 25.3
4 (1) 5.23 21.9
5 (1) 4.94 20.7
6 (1) 4.42 18.5
7 (1) 4.19 17.5
COK
3 ðCO2 Þx –CO2
xZ0 (1) 7.1G0.1 29.7G0.4 HP MS (1) 1980KEE/LEE
(2) 5.94G0.2 24.9G0.8 (2) 1991HIR/YAM
1 (2) 5.73G0.2 24.0G0.8
2 (2) 5.50G0.2 23.0G0.8
3 (2) 5.22G0.2 21.8G0.8
4 (2) 4.80G0.2 20.1G0.8
5 (2) 4.65G0.2 19.5G0.8
6 (2) 4.45G0.2 18.6G0.8
OK
2 ðH2 OÞ–CO2 w14 w58.6 Est. by exp. 1980KEE/LEE
HCOOK(HCN)x–HCN
xZ0 22.2 92.9 HP MS 1988MEO/CYB
1 17.3 72.4
CH3COOK(HCN)x–HCN
xZ0 (1) 22.2 92.9 (1) HP MS (1) 1988MEO/CYB
1 (1) 16.6 69.5
2 (1) 14.8 61.9
3 (1) 12.0 50.2
(continued)
BDEs (boldfaceZ
recommended data;
4 (1) 9.8 41.0

CH3OK–CCH 101.7 425.5 Derived 1998SCH/BLA
(OH)K–SO2 61.3G2.5 256.5G10.5 Combined 1992SQU(b)
OK(SO2)x–SO2
xZ0 (1) O59 O247 (1) FA 1986KEE/CAS
1 (2) 13.3 55.6 (2) HP MS
COK
3 –SO2 O14.2 O59.4 Est. by exp. 1980KEE/LEE
OK–ONO (1) 41.5 173.6 (1) CID (1) 1981WU/TIE

(2) 32.3G0.7 135G3 (2) PD (2) 1996OSB/LEA
OK(N2O)x–N2O
xZ0 (1) 23.1G1.2 96.5G4.8 (1) Photodetach. (1) 2000LI/CON
1 (2) 5.4G0.2 22.6G0.8 (2) HP MS (2) 1994HIR/FUJ(b)
2 (2) 5.4G0.2 22.6G0.8
3 (2) 5.2G0.2 21.8G0.8
4 (2) 5.2G0.2 21.8G0.2
5 (2) 5.1G0.2 21.3G0.8
6 (2) 5.1G0.2 21.3G0.8
OK
2 ðN2 OÞx –N2O
xZ0 8.8G0.2 36.8G0.8 HP MS 1994HIR/FUJ(b)
1 8.7G0.2 36.4G0.8
2 6.4G0.2 26.8G0.8
3 5.7G0.2 23.8G0.8
4 5.3G0.2 22.2G0.8
5 5.0G0.3 20.9G1.3
NOK(N2O)x–N2O
2 (1) 5.1G0.2 21.3G0.8
3 (1) 4.5G0.2 18.8G0.8
4 (1) 4.5G0.2 18.8G0.8
5 (1) 4.4G0.2 18.4G0.8
6 (1) 4.2G0.3 17.6G1.3
HOK(N2O)x–N2O
xZ0 8.5 35.7 PES 1998KIM/WEN
1 7.8 32.8
2 6.9 28.9
3 O6.5 O27.0
4 O4.6 O19.2
OK(H2O)x–H2O
xZ0 (1) 26.5G1.8 111.0G7.7 PPC spectra (1) 2001DEY/CLE
1 (2) 16.4G1.8 68.5G7.7 (2) 2001CLE/LUO
OK(D2O)x–D2O
xZ0 (1) 24.2G1.8 101.3G7.7 PPC spectra (1) 2001DEY/CLE
1 (2) 16.4G1.8 68.5G7.7 (2) 2001CLE/LUO
HOK(H2O)x–H2O
xZ0 (1) 25.0 104.6 (1) HP MS (1) 1971PAY/YAM
(2) 25.4 106.1 (2) MS (2) 1972MEL
(3) 26.5G1 110.9G4 (3) HP MS (3) 1986MEO/SPE
(4) 27.6 115.5 (4) HP MS (4) 1990PAL/KEB
(5) 26.8 112.1 (5) HP MS (5) 1999MEO/ELM
1 (1) 17.9 74.9
(3) 17.6G1 73.6G4
(5) 17.6 73.6
(6) 16.1G1.4 67.5G5.8 (6) Photodetach. (6) 2001CLE/LUO
2 (1) w15.1 w63.2
(3) 16.2G1 67.8G4
(5) 16.2 67.8
(7) 16.2G0.5 67.8G2.1 (7) MS (7) 2003WAN/TSA
(continued)
BDEs (boldfaceZ
recommended data;
3 (3) 12.0G1 50.2G4

(5) 12.2 51.0
(7) 12.0G0.6 50.2G2.5
4 (3) 11.5G1 48.1G4
(7) 10.9G0.7 45.6G2.9
5 (3) 11.2G1 46.9G4
(7) 11.5G0.5 48.1G2.1
6 (3) 10.4G1 43.5G4
7 (3) w9.8 w41
DOK(D2O)x–D2O
xZ0 (1) 22.5 94.1 (1) HP MS (1) 1970ARS/KEB
(2) 34.6 144.7 (2) MS (2) 1970PAZ/GIA
(3) 26.8 112.1 (3) HP MS (3) 1986MEO/SIE(b)
1 (1) 16.4 68.6
(2) 23.1 96.5
(4) 18.9G1.4 79.1G5.8 (4) Photodetach. (4) 2001CLE/LUO
2 (1) 15.1 63.2
(2) w18.4 w77.2
3 (1) 14.2 59.4
4 (1) 14.1 59.0
OK
2 ðH2 OÞx –H2O
xZ0 (1) 18.4 77.0 (1) HP MS (1) 1970ARS/KEB
(2) 19.6G1.2 82.0G4.8 (2) Photodetach. (2) 2001LUO/CLE
1 (1) 17.2 72.0
(2) 16.1G1.2 67.5G4.8
2 (1) 15.4 64.4
OK
3 –D2O 17.3G2.1 72.4G8.7 Photodetach. 1999LUO/CLE
COK
3 ðH2 OÞx –H2O
xZ0 14.1G0.2 59.0G0.8 HP MS 1979KEE/LEE
1 13.6G0.5 56.9G2.1
2 13.1G0.8 54.8G3.3
COK
4 ðH2 OÞx –H2O
xZ0 w14.6 w61 Review 1986KEE/CAS
1 w10.6 w44
HCOK
3 ðH2 OÞx –H2O
xZ0 15.7G0.2 65.7G0.8 HP MS 1979KEE/LEE
1 14.9G0.2 62.3G0.8
2 13.6G0.3 56.9G1.3
3 13.4G0.9 56.1G3.8
(CH3O)K(H2O)x–H2O
xZ0 (1) 19.9 83.3 (1) FA (1) 1978MAC/BOH
(2) 23.9 100.0 (2) HP MS (2) 1986MEO
(3) 25.3G2.2 106G9 (3) CID (3) 1999DET/ERV
1 (2) 19.2 80.3
2 (2) 14.8 61.9
3 (2) 11.0 46.0
ðCH3 OÞK
2 ðH2 OÞx –H2O
xZ0 17.8 74.5 HP MS 1986MEO
1 15.2 63.6
ðCH3 OÞK
3 –H2O 13.8 57.7 HP MS 1986MEO
CH3CH2OK–H2O (1) w22.3 w93 (1) Est. by exp. (1) 1988CHA/BRA

(2) 24.4G2.2 102G9 (2) CID (2) 1999DET/ERV
i-PrOK–H2O 21.2 88.7 Est. by exp. 1988CHA/BRA

t-BuOK–H2O 20.9 87.4
HCOOK(H2O)x–H2O
xZ0 (1) 16.0 66.9 (1) HP MS (1) 1986MEO/SIE(b)
1 (2) 13.8 57.7 (2) ES MS (2) 1995BLA/KLA
2 (2) 12.1 50.6
CH2CHOK–H2O 15.4 64.4 HP MS 1988MEO
(continued)
BDEs (boldfaceZ
recommended data;
(ClOOK)(H2O)x–H2O
xZ0 16.0G1.5 66.9G6.3 ES MS 1995BLA/KLA
1 13.4G1.5 56.1G6.3
2 11.8G1.5 49.4G6.3
ðClOK
3 ÞðH2 OÞx –H2O
xZ0 13.2G1.5 55.2G6.3 ES MS 1995BLA/KLA
1 11.7G1.5 49.0G6.3
ðClOK
4 Þ–H2O 11.8G1.5 49.4G6.3 ES MS 1995BLA/KLA
ðBrOK
xZ0 13.4G1.5 56.1G6.3 ES MS 1995BLA/KLA
1 11.9G1.5 49.8G6.3
ðIOK
xZ0 13.3G1.5 55.6G6.3 ES MS 1995BLA/KLA
1 11.9G1.5 49.8G6.3
2 11.1G1.5 46.4G6.3
ðIOK
4 Þ–H2O 11.2G1.5 46.9G6.3 ES MS 1995BLA/KLA
(CH3COO)K(H2O)x–H2O
xZ0 (1) 16.4 68.6 (1) ES MS (1) 1995BLA/KLA
(2) 15.9 66.5 (2) Review (2) 1999MEO/ELM
1 (1) 13.8 57.7
(2) 12.9 54.0
2 (1) 12.2 51.0
(2) 11.8 49.4
3 (2) w11 w46
(B)K(BH)(H2O)x–H2O,
BZCH3C(O)O
1 11.1 46.4
2 w11 w46
(B)K(BH)2(H2O)x–H2O,
BZCH3C(O)O
1 8.1 33.8
CF3COOK(H2O)x–H2O
xZ0 (1) 13.7 57.3 (1) HP MS (1) 1986MEO/SIE(b)
(2) 13.8 57.7 (2) ES MS (2) 1995BLA/KLA
1 (2) 11.7 49.0
CHF2COOK(H2O)x–H2O
xZ0 14.5 60.7 ES MS 1995BLA/KLA
1 12.3 51.5
CH2FCOOK(H2O)x–H2O
xZ0 15.3 64.0 ES MS 1995BLA/KLA
1 12.9 54.0
2 11.6 48.5
CH2ClCOOK–H2O 14.7 61.5 ES MS 1995BLA/KLA
CHCl2COOK(H2O)x–H2O
xZ0 13.8 57.7 ES MS 1995BLA/KLA
1 11.9 49.8
CH2ICOOK–H2O
xZ0 14.2 59.4 ES MS 1995BLA/KLA
1 12.3 51.5
2 11.3 47.3
(continued)
BDEs (boldfaceZ
recommended data;
CH2CNCOOK (H2O)x–H2O
xZ0 14.3 59.8 ES MS 1995BLA/KLA
1 12.2 51.0
C2H3COOK–H2O 16.0 66.9 HP MS 1986MEO/SIE(b)
C2H4(OH) COOK(H2O)x–H2O
xZ0 14.7 61.5 ES MS 1995BLA/KLA
1 12.3 51.5
CH3CH2COOK (H2O)x–H2O
xZ0 16.3 68.2 ES MS 1995BLA/KLA
1 13.6 56.9
2 12.1 50.6
CH3OCH2COOK (H2O)x–H2O
xZ0 15.6 65.3 ES MS 1995BLA/KLA
1 13.1 54.8
2 11.8 49.4
CH3 COCHK
2 ðH2 OÞx –H2O
xZ0 (1) 15.8 66.1 (1) HP MS (1) 1988MEO
1 (1) 13.9 58.2
2 (1) 13.0 54.4
3 (1) 10.8 45.2
CF3 COCHK
2 –H2O 12.8 53.6 HP MS 1988MEO
i-C3H7COOK–H2O 15.7 65.7 HP MS 1986MEO/SIE(b)

t-C4H9COOK–H2O 23.4 97.9
C9H19C(O) OK(H2O)x–H2O
xZ0 13.0G0.3 54.4G1.3 Equilibrium 2005WYT/LIU
1 10.4G0.3 43.5G1.3
2 9.5G0.3 39.7G1.3
[OT–H]C(H2O)x–H2O
xZ0 7.4G0.3 31.0G1.3 ES MS 2005LIU/SEU
1 8.3G0.3 34.7G1.3
2 7.4G0.3 31.0G1.3
OTZoxytocin
C6H5COOK(H2O)x–H2O
xZ0 (1) 15.4 64.4 (1) HP MS (1) 1986MEO/SIE(b)
(2) 15.1 63.2 (2) ES MS (2) 1995BLA/KLA
1 (2) 12.7 53.1
2 (2) 11.5 48.1
K
OOC(CH2)xCOOK–H2O
xZ2 w8.1 w34 PES 1998DIN/WAN
3 8.1 33.8
K
OOC(CH2)x
COOK(H2O)–H2O
xZ3 12.7 53.1 PES 1998DIN/WAN
4 13.4 56.0
5 13.4 56.0
6 14.1 58.9
(KO2C(O)C(O)OK)(H2O)x–H2O
xZ3 11.8 49.2 Photodetach. 2003WAN/YAN
4 7.8 32.8
5 7.4 30.9
ðKOCðCH2 Þ6 COK
xZ0 4.4 18.3 PES 2004YAN/FU
1 14.3 59.8
(continued)
BDEs (boldfaceZ
recommended data;
(Ala-Ala-H)K(H2O)x–H2O
1 9.6G0.2 40.2G0.8
2 8.6G0.2 36.0G0.8
3 7.1G0.2 29.7G0.8
AlaZalanine
(Ala-Ala-H)K(Ala-Ala)–H2O 8.4G0.4 35.1G1.7 Equilibrium 2004LIU/WYT
(Gly-Gly-H)K(H2O)x–H2O
1 9.5G0.3 39.7G1.3
2 8.2G0.3 34.3G1.3
3 7.4G0.1 31.0G0.4
GlyZglycine
(Gly-Gly-H)K(Gly-Gly)–H2O 7.5G0.3 31.4G1.3 Equilibrium 2004LIU/WYT
(Asp)K(H2O)x–H2O
xZ0 9.2G0.3 38.5G1.3 Equilibrium 2005WYT/LIU
1 7.8G0.3 32.6G1.3
2 7.0G0.3 29.3G1.3
AspZHO(O)CCH2CH(NH2)–
C(O)O
OK–PO2 149G16 623G67 PES 1999WAN/WAN
HOK–NH3 12 50 PES 2000SCH/DAV
HOK–HNO2 65 272 Derived 1971YAM/KEB

–HNO3 80.1 335
OK
2 –CH3 46.2G1.2 193.3G5.0 Derived 2003BLA/KAT
COOK–CH3 72.9G4.6 305G19.3 Photodetach. 2004LU/CON
HCOOK–CH3 22.7 95.0 Derived 1998SCH/BLA
(p-Benzoquinone)K–SiF4 24G2 100.4G8.4 HP MS 2001WIL/KNI
OK–CH3O 51.8G1.4 216.7G5.9 Derived 2003BLA/KAT
MeOK–HCF3 23.5 98.3 FT-ICR 1998CHA/BRA

EtOK–HCF3 22.0 92.0
i-PrOK–HCF3 21.1 88.3
HCOOK(HCOOH)x–HCOOH
xZ0 (1) 36.8 154.0 (1) HP MS (1) 1986MEO/SIE(b)
1 (2) 26.1G3.1 109.2G13.0 (2) HP MS (2) 1978LUC/WLO
2 (2) 20.0G2.6 83.7G10.9
3 (2) 14.2G2.1 59.4G8.8
4 (2) 10.1G2.0 42.3G8.4
OK K
2 ðCH3 OHÞx –CH3OH
xZ0 19.1 79.9 HP MS 1973YAM/PAY
1 15.5 64.9
2 13.5 56.5
HCOOK–CH3OH 36.8 154.0 HP MS 1986MEO/SIE(b)
CH3COOK–CH3OH 17.6 73.6 HP MS 1988MEO(d)
CH3OK(CH3OH)x–CH3OH
xZ0 (1) 29.3 122.6 HP MS (1) 1986MEO
(2) 28.8 120.5 (2) 1986MEO/SIE(b)
1 (1) 21.4 89.5
(continued)
BDEs (boldfaceZ
recommended data;
2 (1) 15.0 62.8

3 (1) 11.4 47.7
CH3OK–CH3OD 28.3G0.1 118.4G0.4 Ion flow tube 1990BAR/DAN

CH3OK–CD3OD 28.1G0.1 117.6G0.4
CD3OK–CD3OD 28.5G0.1 119.2G0.4
CH3OK–CD3OH (1) 28.5G0.1 119.2G0.4 (1) Ion flow tube (1) 1990BAR/DAN
(2) 28.3 118.4 (2) FT-ICR (2) 2000CHA/BRA
CD3OK–CD3OH (1) 28.9G0.1 120.9G0.4 (1) Ion flow tube (1) 1990BAR/DAN
(2) 28.2 118.0 (2) FT-ICR (2) 2000CHA/BRA
C2H5OK–CH3OH (1) 20.2 84.5 (1) ICR (1) 1984CAL/ROZ

(2) 25.6G2 107G8 (2) CID (2) 1999DET/ERV
nC3H7OK–CH3OH 19.8 82.8 ICR 1984CAL/ROZ
iC3H7OK–CH3OH 21.0G2.2 88G9 CID 1999DET/ERV
t-C4H9OK–CH3OH (1) 18.9 79.1 (1) ICR (1) 1984CAL/ROZ

(2) 25.5 106.7 (2) HP MS (2) 1986MEO/SIE(b)
(3) 23.4G2.2 98G9 (3) CID (3) 1999DET/ERV
t-C5H11OK–CH3OH 18.6 77.8 ICR 1984CAL/ROZ
CH3COOK–CH3SH 14.9 62.3 HP MS 1988MEO(d)

OK K
2 ðCH3 CNÞ –CH3CN
xZ0 16.4 68.6 HP MS 1973YAM/PAY
1 14.2 59.4
2 11.9 49.8
3 9.5 39.7
CH3 COCHK
2 –CH3CN 15.3 64.0 HP MS 1988MEO
CH3COOK–CH3CN 14.8 61.9 HP MS 1988MEO(d)

CH3COOK–CH3C(O)H 16.3 68.2
(B)K(BH)x–B, BZCH3COOH
xZ0 29.3 122.6 HP MS 1986MEO/SIE(b)
1 19.6 82.0
2 16.2 67.8
(B)K(BH)x(H2O)–B
BZCH3CO2H
2 11.9 49.8
OK–CH3CCH 70.5 295 Derived 1998SCH/BLA

OK–CH2CCH2 71.5 299
C6H5OK–CH3COOH 27.4 114.6 HP MS 1986MEO/SIE(b)
CH3COOK–CH3COOH 29.3 122.6 HP MS 1986MEO/SIE(b)
C2H5OK–C2H5OH (1) 20.6 86.2 (1) ICR (1) 1984CAL/RAZ

(2) 27.6 115.5 (2) HP MS (2) 1986MEO/SIE(b)
n-C3H7OK–B, BZC2H5OH 20.3 84.9 ICR 1984CAL/RAZ

t-C4H9OK–B 19.5 81.6
t-C5H11OK–B 19.2 80.3
(continued)
BDEs (boldfaceZ
recommended data;
HCOOK–C2H5OH 20.7 86.6 HP MS 1988MEO(d)
HCOOK–B, BZC2H5OH 20.7 86.6 HP MS 1986MEO/SIE(b)

C6H5OK–B 19.3 80.8
i-C3H7COOK–i-C3H7COOH 29.9 125.1 HP MS 1986MEO/SIE(b)
H2CC(CH3)OK–n-C3H7OH 14.5 60.7 ICR 1984CAL/RAZ
n-C3H7OK–B, BZC3H7OH 21.0 87.9 ICR 1984CAL/RAZ

t-C4H9OK–B 20.2 84.5
t-C5H11OK–B 19.8 82.8
CH3COOK(B)x–B, BZ
CH3C(O)CH3
xZ0 15.7 65.7 HP MS 1988MEO(d)
1 10.8 45.2
t-C4H9OK–B, BZt-C4H9OH 20.4 85.4 ICR 1984CAL/RAZ

t-C5H11OK–B 20.3 84.9
t-C5H11OK–B, BZtC5H11OH 21.5 90.0 ICR 1984CAL/RAZ

t-C4H9CH(CH3)OK–B 21.3 89.1
CH3COOK(B)x–B
BZCH3C(O)NHCH3
xZ0 25.4 106.3 HP MS 1988MEO(d)
1 16.4 68.6
CH3COOK(B)x–B
BZCH3C(O)-Ala-OCH3
xZ0 31.4 131.4 HP MS 1988MEO(d)
1 21.2 88.7
AlaZNHCH(CH3)C(O)
CH3COOK(B)x–B, BZpyrrole
xZ0 24.0 100.4 HP MS 1988MEO(d)
1 17.9 74.9
tC4H9CH(CH3)OK–B, BZt- 21.4 89.5 ICR 1984CAL/RAZ

C4H9CH(CH3)OH
C6H5CH2OK–B 21.6 90.4
CH3COOK–(CH3OCH2CH2)2O 15.1 63.2 HP MS 1986MEO/SIE(b)
SiF2OK–C6H5 117.6G1.6 492.0G6.7 FA MS 2003KRO/LAR
OK
2 –C6H6 14.1 58.9 PES 2002BAR/SCH
CH3COOK–B, BZC6H5OH (1) 26.1 109.2 HP MS (1) 1988MEO(d)

C6H5COOK–B (2) 26.1 109.2 (2) 1986MEO/SIE(b)
C6H5CH2OK–C6H5CH2OH (1) 22.3 93.3 (1) ICR (1) 1984CAL/RAZ

(2) 23.8 99.6 (2) HP MS (2) 1986KEE/CAS
OK
2 ðH2 OÞx –pyridine
xZ0 21.7 90.7 PES 2002BAR/SCH
1 32.7 137.0
OK
2 ðH2 OÞx –naphthalene
xZ0 22.1 92.6 PES 2002BAR/SCH
1 37.8 158.2
2 52.3 219.0
(continued)
BDEs (boldfaceZ
recommended data;
CHOK–Fe(CO)4 90G5 377G21 Derived 1988LAn/SQU
CH3COK–B, BZFe(CO)4 83 347 Derived 1993SUN/SQU(b)

HC(O)OK–B 81 339
CH3C(O)OK–B 88 368
CHOK–Cr(CO)5 w73 w305 Review 2004DAM

–Mo(CO)5 w77 w322
–W(CO)5 w82 w343
HOK–B, BZFe(CO)5 53–60 222–251 Ion reactions 1985LAN/SAL

MeOK–B 39–51 163–214
EtOK–B %45.7 %191
nPrOK–B %44.3 %185
nBuOK–B %43.6 %182
tBuOK–B %42.9 %180
MeC(O)OK–B %29.5 %123
CF3CH2OK–B R34.0 R142
MeOCH2CH2OK–B %42.1 %176
(croconate)2K(H2O)x–H2O
xZ3 (1) 17.2 72.0 (1) ES MS (1) 2003BLA/PES
4 (1) 14.0 58.6
5 (1) 12.1 50.6
6 (1) 12.6 52.7
7 (1) 10.6 44.4
26.2 Sulfur and the ion clusters/complexes

26.2.1 Sulfur clusters/complexes
Table 26.2.1 BDEs in Sulfur Clusters/Complexes
BDEs (boldfaceZ
recommended data; reference
in parentheses)
SO–He w0.1, at 0 K w0.3 Mol. beam 1997AQU/ASC
SO–Ne w0.1, at 0 K w0.5 Mol. beam 1997AQU/ASC
HS–Ne (1) 0.1, at 0 K w0.4 Spectroscopy (1) 1997YAN/CAR

(2) 0.30 1.24 (2) 1999CAR/MIL(b)
HS–Ar (1) 1.31, at 0 K 5.48 Spectroscopy (1) 1997YAN/CAR

(2) 1.64 6.84 (2) 1999CAR/MIL
SO–Ar w0.4, at 0 K w1.6 Mol. beam 1997AQU/ASC
Tetrahydrothiophene-Ar 0.5, at 0 K 2.1 Spectroscopy 1999SAN/LOP
HS–Kr (1) 3.64, at 0 K 15.23 Spectroscopy (1) 1997YAN/CAR

(2) 3.69 15.46 (2) 1999CAR/MIL
SO–Kr w0.5, at 0 K w2 Mol. beam 1997AQU/ASC
SO–Xe w0.5, at 0 K w2.2 Mol. beam 1997AQU/ASC
(CH3)2S–Cl w16, at 0 K w67 Spectroscopy 2004ENA/NAK
(CH3)2S–Br 12G1, at 0 K 50.2G4.2 Spectroscopy 2001NAK/GOT
(continued)
Table 26.2.1 (continued) BDEs in Sulfur Clusters/Complexes
BDEs (boldfaceZ
recommended data; reference
in parentheses)
(CH2)2S–HF 5.56, at 0 K 23.28 FT-IR 2004ASS/GOU
SO2–HCl 3.5, at 0 K 14.6 IR spectra 1959BUR/SMI
SO3–H2O 13 54.4 Flow reactor 1996LOV/HAN
H2SO4–H2O 10.6 44.3 Est. by exp. 2000NOP
H2S–H2S 3.6, at 0 K 15.1 Spectroscopy 1990SEN/RAL
HSH–NH3 2.84, at 0 K 11.88 Spectroscopy 1995HIL/FRA
SO3–NH3 24G1 100.4G4.2 Flow reactor 1997LOV
Me2S–GaCl3 54.2 227 Thermochem. 1966GRE/SRI

–GaBr3 50.6 212
–GaI3 40.2 168
Et2S–GaCl3 56.2 235 Thermochem. 1966GRE/SRI

–GaBr3 51.8 217
–GaI3 40.8 171
SO2–transK2-C4H8 3.85G0.23, at 0 K 16.1G1.0 PI 1985GRO/WAL

SO2–C6H6 4.40G0.28 18.4G1.2
SF6–C6H5CH3 3.57G0.06, at 0 K 14.95G ZEKE 1999GEP/DES

0.24
26.2.2 Positive sulfur-ion clusters/complexes

Table 26.2.2 BDEs in Positive Sulfur-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
O2SC–Kr 7 29 PD 1986KIM/JAR
SC–H (1) 86G4 360G17 (1) Derived (1) 1974GUR/KAR

(2) 82.5 345.3 (2) Derived (2) 1984ROS/HOR
IP in ref.
CH2SHC–H 48.2 201.6 Derived 1997CHE/FEN
CH3CHSHC–H 33.9 141.8 Derived 1997CHE/FEN
SC(F)x–F
xZ0 82.1G1.2 343.5G4.8 CID 1992FIS/KIC
1 96.2G2.3 402.3G9.6
2 104.7G1.8 438.0G7.7
3 77.5G1.2 324.2G4.8
4 106.1G2.3 443.8G9.6
5 88.1G3.2 368.6G
13.5
SC(Cl)x–Cl
xZ0 90.9 380 MS 1981KAU/VAH
1 59.7 245
SC–O (1) 85G10 356G42 (1) Derived (1) 1979HUB/HER

IP in ref.
SC–S (1) 123.8 518.1 (1) Derived (1) 1979HUB/HER

(2) 124.9G0.1 522.4G0.5 (2) PI (2) 1986LIA/NG(b)
(continued)
Table 26.2.2 (continued) BDEs in Positive Sulfur-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
HC(S)x–S
xZ1 15.4G0.5 64.4G2.1 HP MS 1977HIR/KEB
2 9.1G0.5 38.1G2.1
3 8.4G0.5 35.1G2.1
4 6.7G0.3 28.0G1.3
5 w6.1 w25.5
SC–N (1) 120G10 502G42 (1) Derived (1) 1974GUR/KAR

IP in ref.
–P (2) 137G5 573G21
SC–C (1) 147.1 615.6 (1) Derived (1) 1979HUB/HER

(2) 148.4G0.3 620.8G1.3 (2) MS (2) 1995COP/DRO
SC–CS2 39.7 166 PI 1981ONO/LIN
SC
2 ðCS2 Þx –CS2
xZ0 (1) 21.9 91.6 (1) HP MS (1) 1977MEO/FIE
(2) 28.8 120.5 (2) PI (2) 1981ONO/LIN
(3) 30.9 129.3 (3) HP MS (3) 1994HIR/FUJ
1 (3) 8.3 34.7
2 (3) 5.5 23.0
CSC–CS2 36.0 150.6 PI 1981ONO/LIN
CSC
2 ðCS2 Þx –CS2
xZ0 (1) 21.9 91.6 (1) HP MS (1) 1977MEO/FIE
(2) 17.5 73.2 (2) PI (2) 1980ONO/LIN
(3) 24.9 104.2 (3) HP MS (3) 1994HIR/FUJ
1 (2) 4.4 18.4
(3) 6.5 27.2
2 (2) 3.9 16.3
(3) 4.9 20.5

3 (2) 2.6 10.9
(3) 2.6 10.9
HCSC2 ðCS2 Þ–CS2

xZ0 (1) 11.1 46.4 HP MS (1) 1977MEO/FIE
(2) 9.0 37.7 (2) 1993HIR/FUJ
1 (2) 4.7 19.7
OSC–SO2 13.8 57.7 PI 1981ERI/NG

O2SC–SO2 15.2 63.6
O2SHC–SO2 23.2 97.1 HP MS 1986MCM/KEB
OCSC(OCS)x–OCS
xZ0 (1) 17.2 72.0 HP MS (1) 1981ONO/OSU
(2) 23.9G2.0 100.0G8.4 (2) 2004HII/NAK
1 (1) 1.6 6.7
(2) 7.8G0.4 32.6G1.7
2 (3) 6.3 26.4 (3) 2005HIR/FUJ(b)
HOCSC(OCS)x–OCS
1 (1) 5.7G0.3 23.8G1.3
2 (1) 4.3G0.5 18.0G2.1
OCSC(OCS)x–CO2
xZ0 17.2 72.0 PI 1981ONO/OSU
1 1.6 6.7
SOC
2 –CO2 10.2 42.7 HP MS 1988ILL
H3SC(H2S)x–H2O
xZ0 (1) 17.0 71.1 HP MS (1) 1977MEO/FIE
(continued)
BDEs (boldfaceZ
recommended data;
(2) 21.9 91.6 (2) 1977HIR/KEB

1 (2) 19.8 82.8
2 (2) 10.7 44.8
CH3 SHC
2 –H2O (1) 15.5 64.9 (1) HP MS (1) 1985MEO/SIE
(2) 13.5 56.5 (2) ICR (2) 1986KEE/CAS
C2 H5 SHC
2 –H2O 14.7 61.5 HP MS 1985MEO/SIE
(CH3)2S(H2O)xHC–H2O
xZ0 (1) 13.1 54.8 (1) HP MS (1) 1985MEO/SIE
(2) 12.0 50.2 (2) ICR (2) 1986 KEE/CAS
1 (1) 11.6 48.5
(R1R2S)HC–H2O
R1 R2
Me Et 12.6 52.7 HP MS 1985MEO/SIE
n-Pr n-Pr 12.2 51.0
BHC(H2O)x–H2O
BZtetrahydrothiophene
xZ0 11.5 48.1 HP MS 1987HIR/TAK
1 10.4 43.5
BHC–H2O, BZthiophene 10.2 42.7 HP MS 1987HIR/TAK
BC–H2O, BZ 9.5 39.7 HP MS 1987HIR/TAK

Tetrahydrothiophene
thiophene
H2SC(H2S)x–H2S
xZ0 (1) 17.0G0.3 71.1G1.3 PI (1) 1981WAL/BLA
(2) 21.2G0.9 88.7G3.9 (2) 1983PRE/TZE

1 (1) 3.2G0.3 13.4G1.3
(2) 4.2G0.9 17.6G3.9
2 (1) 1.2G0.3 5.0G1.3
3 (1) 1.4G0.3 5.9G1.3
4 (1) 2.6G0.3 10.9G1.3
H3SC(H2S)x–H2S
xZ0 (1) 15.4 64.4 (1) HP MS (1) 1977HIR/KEB
(2) 12.8G1.5 53.6G6.3 (2) HP MS (2) 1977MEO/FIE
(3) 10.6G2.3 44.4G9.6 (3) PI (3) 1983PRE/TZE
(4) 10.8 45.2 (4) PI (4) 1984WAL/BLA
1 (1) 9.1 38.1
(2) 7.2 30.1
(4) 6.0 25.1
2 (1) 8.4 35.1
(2) 5.4 22.6
(4) 4.4 18.4
3 (1) 6.7 28.0
(2) 3.3 13.8
(4) 2.5 10.5
4 (1) w6.1 w25
F5SC–H2S 50.7G11.5 212G48 SIFDT 1993ZAN/HAN
CH2SHC–CH3 39.9 167 Derived 1997CHE/FEN
H3SC–CH4 3.9 16.3 HP MS 1972BEN/FIE(c)
OCSC–C2H2 (1) 33.7 141 (1) PD (1) 1990ORL/FRI

(2) 20.2 84.4 (2) MS (2) 1991GRA/BOW
SCðSF6 ÞC
x –SF6
xZ0 9.4 39.3 HP MS 1995HIR/SHI(b)
1 3.4 14.2
2 3.0 12.6
(continued)
BDEs (boldfaceZ
recommended data;
SF(SF6)x–SF6
xZ0 9.1 38.1 HP MS 1995HIR/SHI(b)
1 3.8 15.9
2 3.7 15.5
SFC
2 ðSF6 Þx –SF6
xZ0 7.8 32.6 HP MS 1995HIR/SHI(b)
1 5.0 20.9
2 4.2 17.6
SFC
3 ðSF6 Þx –SF6
xZ0 7.4 31.0 HP MS 1995HIR/SHI(b)
1 4.5 18.8
2 4.0 16.7
SFC
4 ðSF6 Þx –SF6
xZ0 7.2 30.1 HP MS 1995HIR/SHI(b)
1 4.6 19.2
SFC
5 ðSF6 Þx –SF6
xZ0 4.7 19.7 HP MS 1995HIR/SHI(b)
1 3.6 15.1
(CH3)2SOHC((CH3)2O)x–
(CH3)2O
xZ0 30.8 129 HP MS 1980LAU/SAL
1 21.3 89.1
(CH3)2SOHC–(CH3)2CO 24.1 101 HP MS 1980LAU/SAL

(CH3)2CSHC–(CH3)2SO 30.8 129
(C2H6S)C–SC2H6 26.8 112 Equilibrium 1995DEB/ILL
(CH3)2CSHC–(CH3)2CS 26.4 110 HP MS 1985MEO/SIE

CH3(C2H5)CSHC– 26.6 111
CH3(C2H5)CS
(c-C4H8S)C–B, BZc- 27.5G0.2 115G1 Equilibrium 1998ILL

SC4H8
(c-SC5H10S)C–B 25.8G0.5 108G2
(c-C5H10S)C–c-SC5H10 25.3G0.5 106G2 Equilibrium 1998ILL
c-C4H4SC–C6H6 13 54 HP MS 1969FIE/HAM
SC C
4 –S4 49.5 207 Derived 2004KRO/PAS
C C
S5 –S3 32.5 136
(R2SS–SSR20 )C
RZMe, R 0 ZMe 27.5, at 0 K 115 Equilibrium 1996JAM/ILL
Me, Et 25.6 107
Et, Et 28.7 120
n-Pr, n-Pr w29.4 w123
26.2.3 Negative sulfur-ion clusters/complexes

Table 26.2.3 BDEs in Negative Sulfur-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
SK(Al)x–Al
xZ0 101.6G1.7 425.1G7.1 PES 1995NAK/TAG
1 40.2G5.2 168G22
(continued)
Table 26.2.3 (continued) BDEs in Negative Sulfur-Ion Clusters/Complexes
BDEs (boldfaceZ
recommended data;
SK(AlS)–Al 42.3G7.6 177G32 PES 1995NAK/TAG
SK–H 89.2G1.0 373.1G4.3 CID 2000REM/ERV
F5SK–H 31.1G2.3 130.3G9.6 MS 1988CHE/SHU
SK–O (1) 100G10 418G42 (1) Derived (1) 1974GUR/KAR

EA in ref.
SK
2 –O 107.7 451 Derived 1986NIM/ELL
SOK–O 131.7 551 Derived 1986NIM/ELL
SK–S (1) 130G10 544G42 (1) Derived (1) 1974GUR/KAR

EA in ref.
SK
2 –S 75.3 315 Derived 1986NIM/ELL
SOK–S 98.3 411
SK–Se 102 427 Derived 1974GUR/KAR
SK–N (1) 92G10 385G42 Derived (1) 1974GUR/KAR

(2) 90.3G5.7 378G24 (2) 2003DEA/LI
SK–C 127.3G0.6 532.7G2.4 Derived from EA 1996NIST

in ref.
SK–SO 76.4 320 Derived 1986NIM/ELL

SK–S2 66.1 277
HSOK
4 –HCl 15.7G1 65.7G4 FA 1984BOH/FAH
HSK–HCN (1) 21 87.9 (1) HP MS (1) 1998MEO(d)

(2) 17.4G9.3 73G39 (2) CID (2) 2006AKI/ERV
CSK
2 ðCS2 Þx –CS2
xZ0 (1) 21.9 91.6 (1) HP MS (1) 1994HIR/FUJ
1 (1) 6.5 27.2
(2) 4.1G0.6 17.2G2.5 (2) Photodetach. (2) 1988BOW/EAT
(3) 4.4G1.1 18.4G4.6 (3) PES (3) 1997TSU/HIR
SOK
2 ðSO2 Þx –H2O
xZ1 8.9G0.8 37.2G3.3 Equilibrium 1994VAC/DUC
2 7.4G0.2 31.0G0.8
3 7.6G0.3 31.8G1.3
4 7.5G0.4 31.4G1.7
5 6.5G0.2 27.2G0.8
SOK
2 ðH2 OÞðSO2 Þx –H2O
4 7.1G0.7 29.7G2.9
SOK
2 ðH2 OÞ2 ðSO2 Þx –H2O
4 7.1G0.7 29.7G2.9
SOK
3 –H2O w13 w54.4 Est. by exp. 1980KEE/LEE
SOK
4 –H2O w12.5 w52.3 Est. by exp. 1980KEE/LEE
HSK(H2O)x–H2O
xZ0 (1) 14.2G0.2 59.4G0.8 (1) HP MS (1) 1989SIE/MEO
(continued)
BDEs (boldfaceZ
recommended data;
1 (1) 12.6G0.3 52.7G1.3

2 (1) 11.7G0.5 49.0G2.1
(OCS)K(H2O)x–H2O
xZ0 47.7 199.7 PES 2002SUR/SAN
1 10.6 44.4
CH3SK(H2O)x–H2O
xZ0 (1) 15.0G0.2 62.8G0.8 (1) HP MS (1) 1989SIE/MEO
1 (1) 13.5G0.4 56.5G1.7
2 (1) 11.1G0.1 46.4G0.4
3 (1) 9.6G0.4 40.2G1.7
(HSO4)K(H2O)x–H2O
xZ0 (1) 11.9 49.8 (1) FA (1) 1984BOH/FAH
(2) 12.9 54.0 (2) MS (2) 2003FRO/LOV
1 (2) 11.2 46.9
2 (2) 12.4 51.9
3 (2) 13.2 55.2
4 (2) 11.7 49.0
5 (2) 11.4 47.7
6 (2) 11.1 46.4
7 (2) 11.2 46.9
(HSO4)K(H2SO4)(H2O)x–
H2O
xZ0 8.7 36.4 MS 2003FRO/LOV
1 9.5 39.7
2 11.1 46.4
(HSO4)K(H2SO4)2
(H2O)x–H2O
xZ0 (1) 12.1 50.6 MS (1) 1982ARN/VIG
(2) 11.7 49.0 (2) 2003FRO/LOV
1 (2) 13.6 56.9

2 (2) 10.9 45.6
3 (2) 11.3 47.3
(HSO4)K(H2SO4)3(H2O)x–H2O
xZ0 (1) 13.8 57.7 MS (1) 1982ARN/VIG
(2) 15.1 63.2 (2) 2003FRO/LOV
1 (1) 13.0 54.4
(2) 12.5 52.3
2 (2) 12.9 54.0
3 (2) 11.9 49.8
4 (2) 9.3 38.9
5 (2) 10.4 43.5
6 (2) 10.6 44.4
7 (2) 12.3 51.5
8 (2) 11.7 49.0
xZ0 (1) 13.9 58.2 MS (1) 1982ARN/VIG
(2) 15.1 63.2 (2) 2003FRO/LOV
1 (2) 14.0 58.6
2 (2) 14.1 59.0
3 (2) 13.8 57.7
4 (2) 12.2 51.0
5 (2) 12.8 53.6
6 (2) 13.3 55.6
7 (2) 13.1 54.8
8 (2) 13.5 56.5
9 (2) 12.7 53.1
xZ0 (1) 17.9 74.9 (1) MS (1) 2003FRO/LOV
1 (1) 15.3 64.0
2 (1) 14.2 59.4
3 (1) 13.5 56.5
4 (1) 13.4 56.1
5 (1) 14.6 61.1
6 (1) 14.6 61.1
7 (1) 13.5 56.5
(continued)
BDEs (boldfaceZ
recommended data;
8 (1) 13.5 56.5

9 (1) 13.7 57.3
(HSO4)K(H2SO4)6
(H2O)x–H2O
xZ0 19.7 82.4 MS 2003FRO/LOV
1 17.3 72.4
2 16.0 66.9
3 14.8 61.9
(HSO4)K(HNO3)–H2O 13.0 54.4 MS 1982ARN/VIG
ðCH3 SOK
xZ0 13.9G1.5 58.2G6.3 ES MS 1995BLA/KLA
1 12.4G1.5 51.9G6.3
2 11.4G1.5 47.7G6.3
ðCF3 SOK
xZ0 11.6G1.5 48.5G6.3 ES MS 1995BLA/KLA
1 10.8G1.5 45.2G6.3
SFK
6 –H2O 10.5G0.1 43.9G0.4 HP MS 1986SIE
C6H5SK–H2O 11.4G0.2 47.7G0.8 HP MS 1989SIE/MEO
HSK–H2S 13.2 55.2 HP MS 1988MEO(d)
F5SK–H2S 51G12 213G50 Selected ion FA 1993ZAN/HAN

SK
2 ðCS2 Þx –CS2
xZ0 19.1 79.9 HP MS 1994HIR/FUJ
1 6.1 25.5
CSK
2 ðCS2 Þx –CS2
xZ0 21.9 91.6 HP MS 1994HIR/FUJ
1 6.4 26.8
(O2S)K(SO2)x–SO2
xZ0 (1) 24.0 100.4 (1) HP MS (1) 1980KEE/LEE
(2) 21.3G1.3 89.1G5.4 (2) Equilibrium (2) 1994VAC/DUC
(3) 21.0G1.2 87.8G4.8 (3) Photodetach. (3) 2001LI/ALC
1 (2) 8.1G0.3 33.9G1.3
(4) 8.3 34.7 (4) Photodetach. (4) 2002CLE/LUO
2 (2) 6.4G0.2 26.8G0.8
3 (2) 5.4G0.3 22.6G1.3
4 (2) 4.2G0.2 17.6G0.8
5 (2) 3.6G0.3 15.1G1.3
6 (2) 3.4G0.2 14.2G0.6
7 (5) 3.45G0.3 14.4G1.3 (5) HP MS (5) 1992VAC/JOR
8 (5) 3.05G0.35 12.8G1.5
9 (5) 3.0G0.6 12.6G2.5
O2 SðH2 OÞðSO2 ÞK
x –SO2
2 6.0G0.2 25.1G0.8
3 4.5G0.6 18.8G2.5
4 4.3G0.7 18.0G2.9
5 3.2G0.6 13.4G2.5
O2 SðH2 OÞ2 ðSO2 ÞK

x –SO2
4 3.8G0.9 15.9G3.8
5 3.7G0.7 15.5G2.9
O2SK(O2)x(SO2)x–SO2
xZ1 5.7G0.6 23.8G2.5 HP MS 1992VAC/JOR
2 4.6G0.4 19.2G1.7
3 3.6G0.4 15.1G1.7
(continued)
BDEs (boldfaceZ
recommended data;
O4SK–SO2 w14 w58.6 Est. by exp. 1980KEE/LEE
HO4SK–SO2 13.7 57.3 HP MS 1986KEE/CAS
SOK
3 –SO2 13.3 55.6 HP MS 1980KEE/LEE
–CO2 6.5 27.2
ðHSOK4 ÞðH2 SO4 Þx –SO3

xZ0 25.1 105.0 Kinetics 2004ROS/FRO
1 22.8 95.4
2 20.3 84.9
HO4SK–H2O2 15.9 66.5 FA 1984BOH/FAH
HO4SK(HNO3)x–HNO3
xZ0 27.4 114.6 MS 2001LOV/CUR
1 17.0 71.1
HO4SK(H2SO4)x–HNO3
xZ1 16.1 67.4 MS 2001LOV/CUR
2 15.9 66.6
3 16.9 70.7
HSK–CH3OH 17 71.1 HP MS 1988MEO(d)
SFK
6 –CH3OH 12.0G0.1 50.2G0.4 HP MS 1986SIE
C6H5SK–CH3OH 13.4G0.1 56.1G0.4 HP MS 1989SIE/MEO

C6H11SK–CH3OH, 14.8 61.9 ICR 1984CAL/ROZ

(5,5-dimethyl-1,3-
dithiani ion)
(HO4S)K–HOSO2 O22.4 O93.7 MS 1984ARN/QIU
(HO4S)K(HONO2)– 21.7 90.8 MS 1984ARN/QIU

HOSO2
(HSO4)K(H2SO4)x–HSO3
xZ1 (2) 22.1 92.5 MS (1) 1982ARN//VIG
2 (1) O18.0 O75.3 (2) 1984ARN/QIU
(2) 21.0 87.9
HO3SK(H2O)–H2SO4 22.1 92.5 MS 1984ARN/QIU
HO4SK(H2SO4)x–H2SO4
xZ0 (1) 41.8 175 MS (1) 2001LOV/CUR
1 (1) 27.4 115
(2) 22.0 92.0 (2) 1984ARN/QIU
2 (1) 23.8 99.6
(2) 20.8 87.0
(3) 19.8 82.8 (3) 1982ARN/VIG
3 (1) 21.6 90.4
(3) 18.5 77.4
4 (1) 20.4 85.4
(3) 18.9 79.1
HS2 OK
7 ðH2 SO4 Þx –H2SO4
xZ1 23.4 97.9 Kinetics 2004ROS/FRO
2 21.1 88.3
SFK
5 –SF6 !2.3 !9.6 HP MS 1995HIR/SHI
SFK
6 –SF6 w2.3 w9.6
SFK
6 –C2H5OH 12.5G0.1 52.3G0.4 HP MS 1986SIE
(continued)
BDEs (boldfaceZ
recommended data;
HSK–C2H5OH 16.3G0.1 68.2G0.4 HP MS 1989SIE/MEO

HSK–CF3CH2OH 26.8G0.5 112.1G2.1
C6H5SK–CF3CH2OH 21.0G0.2 87.9G0.8
CH3SK–i-C3H7OH 17.1G0.2 71.5G0.8 HP MS 1989SIE/MEO

C6H5SK–i-C3H7OH 15.0G0.1 62.8G0.4
SFK
6 –i-C3H7OH 13.4G0.1 56.1G0.4 HP MS 1986SIE
HSK–B, BZt-C4H9OH 16.8G0.3 70.3G0.8 HP MS 1989SIE/MEO

C6H5SK–B 14.6G0.1 61.1G0.4
SFK
6 –t-C4H9OH 14.1G0.1 59.0G0.4 HP MS 1986SIE
–MeSO 14.7G0.1 61.5G0.4
C6H5SK–MeC(O)OH 20.3G0.1 84.9G0.4 HP MS 1989SIE/MEO

–EtC(O)OH 20.0G0.4 83.7G1.7
HSK–pyrrole 23.0 96.2 HP MS 1988MEO(d)

–CH3C(O)NHCH 27.5 115.1
(CH3)–C(O)OCH3
SFK
6 –3-CF3C6H4NO2 17.0 71.7 IMRB 1986CHO/KEB
–3-FC6H4NO2 15.7 65.7
–benzoquinone 14.9 62.3
HSK–B, BZFe(CO)5 R23.1 R97 Ion reactions 1985LAN/SAL

MeSK–B R28.6 R120
SO2K
2 ðH2 OÞx –H2O
xZ3 (1) 13.8G1.2 57.9G4.8 (1) PES (1) 2000WAN/NIC
(2) 12.0 50.2 (2) Photodetach. (2) 2002YAN/WAN
4 (1) 8.8G1.2 36.7G4.8
(2) 10.1 42.5
5 (1) 8.5G1.2 35.7G4.8
(2) 8.1 33.8
6 (1) 8.1G1.2 33.8G4.8
(2) 8.5 35.7
(3) 13.9 58.2 (3) ES MS (3) 2005BLA/KEB
7 (1) 7.6G1.2 31.8G4.8
(2) 6.9 28.9
(3) 12.4 51.9
8 (1) 6.0G1.2 25.1G4.8
(2) 6.9 28.9
(3) 11.8 49.4
9 (1) 5.5G1.2 23.2G4.8
(2) 6.5 27.0
(3) 10.9 45.6
10 (1) 4.4G1.2 18.3G4.8
(2) 4.6 19.3
(3) 10.9 45.6
11 (1) 4.4G1.2 18.3G4.8
(2) 4.2 17.4
(3) 10.7 44.8
26.3 Selenium clusters/complexes

Table 26.3 BDEs in Selenium Clusters/Complexes
BDEs (boldfaceZ
recommended data;
H2Se–H2Se 3.1 13.0 Spectroscopy 1990SEN/RAL
SeC–Se (1) 100.9 422.2 (1) Review (1) 1979HUB/HER

IP in ref.
(3) 99.6 416.8 (3) PD (3) 2000BRE/CAH
(continued)
Table 26.3 (continued) BDEs in Selenium Clusters/Complexes
BDEs (boldfaceZ
recommended data;
SeC(Se)x–Se
xZ1 40.8 170.8 PD 2000BRE/CAH
2 56.7 237.3
3 96.9 405.2
4 52.1 218.1
5 58.6 245.1
6 57.9 242.2
7 54.4 227.7
8 52.3 219.0
9 52.1 218.1
10 52.6 220.0
11 51.7 216.1
12 58.3 244.1
13 54.4 227.7
14 54.9 229.6
15 53.7 224.8
16 53.5 223.8
17 53.0 221.9
18 53.0 221.9
19 55.8 233.5
SeC(Se)x–Se2
xZ0 60.4 252.8 PD 2000BRE/CAH
1 17.8 74.3
2 73.8 308.7
3 69.2 289.4
4 30.9 129.3
5 36.7 153.4
6 32.3 135.1
7 26.7 111.9
8 27.0 112.9
9 24.9 104.2
10 24.2 101.3
11 30.0 125.4
12 32.7 137.0
13 29.5 123.5
14 28.6 119.6
15 27.4 114.8
16 26.7 111.9
17 26.3 110.0
18 28.8 120.6
SeC(Se)x–Se3
xZ0 69.4 290.4 PD 2000BRE/CAH
1 66.9 279.8
2 77.9 326.1
3 79.8 333.8
4 40.8 170.8
5 43.1 180.4
6 36.9 154.4
7 31.1 130.3
8 29.3 122.5
9 28.6 119.6
10 34.8 145.7
11 36.7 153.4
12 39.9 166.9
13 35.3 147.6
14 34.4 143.8
15 32.7 137.0
16 32.1 134.1
17 34.1 142.8
SeC(Se)x–Se4
xZ0 111.8 467.9 PD 2000BRE/CAH
1 64.6 270.2
2 82.1 343.5
3 83.2 348.3
4 39.2 164.0
5 39.4 165.0
6 33.0 138.0
7 30.0 125.4
8 24.9 104.2
9 30.9 129.3
10 33.2 138.9
11 35.5 148.6
12 37.4 156.3
13 32.7 137.0
14 31.4 131.2
15 29.5 123.5
16 31.6 132.2
(continued)
BDEs (boldfaceZ
recommended data;
SeC(Se)x–Se5
xZ0 97.1 406.2 PD 2000BRE/CAH
1 56.3 235.4
2 73.1 305.9
3 70.8 296.2
4 26.3 110.0
5 26.3 110.0
6 18.0 75.3
7 14.1 58.9
8 20.3 84.9
9 20.1 83.9
10 22.6 94.6
11 23.8 99.4
12 25.8 108.1
13 22.8 95.5
14 21.4 89.7
15 22.4 93.6
SeC(Se)x–Se6
xZ0 98.9 413.9 PD 2000BRE/CAH
1 57.4 240.2
2 70.8 296.2
3 66.4 277.9
4 19.4 81.0
5 22.1 92.6
6 15.2 63.7
7 13.4 56.0
8 18.0 75.3
9 18.2 76.2
10 19.6 82.0
11 20.8 86.8
12 19.8 83.0
13 16.8 70.4
14 18.2 76.2
SeC(Se)x–Se7
xZ0 102.8 430.3 PD 2000BRE/CAH
1 57.7 241.2
2 69.2 289.4
3 64.6 270.2
4 18.0 75.3
5 19.8 83.0
6 19.6 82.0
7 13.8 57.9
8 17.1 71.4
9 20.1 83.9
10 22.1 92.6
11 21.9 91.7
12 21.2 88.8
13 20.3 84.9
SeC(Se)x–Se8
xZ0 104.0 435.1 PD 2000BRE/CAH
1 56.7 237.3
2 68.0 284.6
3 63.9 267.3
4 18.7 78.2
5 24.9 104.2
6 20.8 86.8
7 18.2 76.2
8 19.1 80.1
9 21.2 88.8
10 21.0 87.8
11 19.6 82.0
12 23.5 98.4
SeC–S (1) 101G4.8 423G20 (1) MS (1) 1983GRA/WIE

IP in ref.
SeC–H 72.6 304 Derived from IP 1996NIST

in ref.
SeC–F 87G10 364G42 Derived 1974GUR/KAR
SeC–P 123G6 514G25 Derived from IP 1996NIST

in ref.
(continued)
BDEs (boldfaceZ
recommended data;
(CH3)2Se.C–Se(CH3)2 w22.7G0.7 w95G3 CID 2003KIN/ILL
SeK–Se 77.1 323 Derived from 1996NIST

DfH0 in ref.
–H 79.1 331
SeFK
5 –F 25.1G2.3 105G9.6 Collision 1978COM/REI
ionization
26.4 Tellurium clusters/complexes

Table 26.4 BDEs in Tellurium Clusters/Complexes
BDEs (boldfaceZ
recommended data;
TeC–Te (1) 78.4 328 (1) Derived (1) 1979HUB/HER

(2) 82 342 (2) Review (2) 1996SMI/YAT
IP in ref.
TeC(Te)x–Te
xZ1 29.5 123.5 Evaporation 1995BRE/CAH
2 53.5G6 223.8G25
3 58.3 244.1
4 42.7 178.5
5 48.2 201.6
6 51.2 214.2
7 40.8 170.8
8 42.0 175.6
9 45.2 189.1
10 46.1 193.0
11 45.0 188.1
12 45.7 191.0
13 45.7 191.0
14 43.8 183.3
15 43.8 183.3
16 44.7 187.2
17 45.0 188.1
18 45.0 188.1
19 45.2 189.1
20 45.2 189.1
23 45.2 189.1
28 45.4 190.1
33 45.7 191.0
TeC(Te)x–Te2
xZ0 46.1 193.0 Evaporation 1995BRE/CAH
1 27.2 113.8
2 49.8G6 208.4G25
3 39.2 164.0
4 29.1 121.6
5 37.6 157.3
6 30.2 126.4
7 21.0 87.8
8 25.4 106.1
9 29.5 123.5
10 29.3 122.5
11 28.8 120.6
12 29.5 123.5
13 27.7 115.8
14 25.8 108.1
15 26.7 111.9
16 27.9 116.7
17 28.1 117.7
18 28.4 118.7
19 28.6 119.6
22 28.6 119.6
27 29.1 121.6
32 29.5 123.5
TeC(Te)x–Te5
xZ0 O66 O276 Evaporation 1995BRE/CAH
1 33.4 139.9
2 48.7G6 203.6G25
3 36.2 151.5
4 19.8 83.0
5 22.4 93.6
6 20.3 84.9
(continued)
Table 26.4 (continued) BDEs in Tellurium Clusters/Complexes
BDEs (boldfaceZ
recommended data;
7 14.1 58.9
8 18.9 79.1
9 22.6 94.6
10 21.2 88.8
11 18.9 79.1
12 19.1 80.1
13 18.7 78.2
14 18.0 75.3
15 19.4 81.0
16 20.8 86.8
19 20.8 86.8
24 21.4 89.7
29 22.4 93.6
TeC(Te)x–Te6
xZ2 44.5G6 186.2G25 Evaporation 1995BRE/CAH
3 33.0 138.0
4 19.8 83.0
5 23.3 97.4
6 20.1 83.9
7 14.5 60.8
8 19.1 80.1
9 21.2 88.8
10 19.8 83.0
11 18.9 79.1
12 19.1 80.1
13 18.4 77.2
14 18.0 75.3
15 19.4 81.0
19 20.5 85.9
24 21.4 89.7
29 22.8 95.5
TeC(Te)x–Te7
xZ2 44.3G6 185.2G25 Evaporation 1995BRE/CAH
3 36.2 151.5
4 24.9 104.2
5 26.3 110.0
6 23.8 99.4
7 19.1 80.1
8 21.0 87.8
9 23.8 99.4
10 23.5 98.4
11 22.8 95.5
12 22.1 92.6
13 21.7 90.7
14 20.8 86.8
17 22.8 95.5
22 23.5 98.4
27 O27.7 O116
TeC–H 72.8G2.9 305G12 Derived from IP 1996NIST

in ref.
TeC–O (1) 96.6 404 (1) Derived (1) 1979HUB/HER

IP in ref.
–Se (2) 81.9G4.6 342G19
(3) 79.6G4.8 333G20
TeC–P 99G23 415G97 Derived from IP 1996NIST

in ref.
(CH3)2Te%C–Te(CH3)2 23.2G0.5 97G2 Tandem MS 2004KIN/ILL
TeK–Te 60.4G1.5 252.7G6.3 Derived from EA 1996NIST

in ref.
–H 74.1G1.6 310.2G6.7
chapter twenty-seven
BDEs in the halogenated molecules,

clusters and complexes
27.1 F–, F +–, and F ––X bonds

27.1.1 F–X bonds
Table 27.1.1 BDEs of F–X Bonds
BDEs (boldfaceZ
recommended data;
dissociated atom) kcal/mol kJ/mol parentheses) References
F–F (1) 37.95 158.78 (1) Spectroscopy (1) 1979HUB/HER

(2) 37.923G0.023 158.670G0.096 (2) PEI-ZEKE (2) 2005YAN/HAO
F–Cl (1) 61.24 256.23 Spectroscopy (1) 1974NOR

(2) 61.25 256.25 (2) 1997ALE/SET
F–Br (1) 60.6 253.5 Spectroscopy (1) 1976CLY/CUR

(2) 66.9G2.8 280G12 (2) 1990JEY/RAJ
F–I %64.9 %271.5 Spectroscopy 1976CLY/MCD
HF–He 0.02, at 0 K 0.08 Spectroscopy 1990lOV/NES

DF–He 0.02 0.08
(continued)
1351
Table 27.1.1 (continued) BDEs of F–X Bonds
BDEs (boldfaceZ
recommended data;
HF–Ar 0.29, at 0 K 1.22 IR 1986FRA/PIN
F–Kr 1.6 6.6 Spectroscopy 1994LO/SET
HF–Kr 0.38, at 0 K 1.59 IR 1986FRA/PIN
F–Xe (1) 3.77 15.77 Spectroscopy (1) 1981RAO/RED

(2) 3.39 14.18 (2) 1994JOH/TEL
HF–Xe 0.52, at 0 K 2.16 IR 1986FRA/PIN
F–H (1) 136.23 569.98 (1) Spectroscopy (1) 1979HUB/HER

(2) 136.202G0.014 569.870G0.060 (2) Spectroscopy (2) 1993ZEM/STW
(3) 136.152G0.003 569.658G0.012 (3) TIPPS (3) 2000MAR/HEP
(4) 136.157G0.003 569.680G0.011 (4) TIPPS (4) 2006HU/HEP
F–D (1) 137.8 576.6 (1) Spectroscopy (1) 1979HUB/HER

(2) 137.709G0.023 576.174G0.096 (2) Spectroscopy (2) 1993ZEM/STW
(3) 137.724G0.003 576.236G0.011 (3) TIPPS (3) 2006HU/HEP
–T (1) 138.5 579.5
(2) 138.387G0.026 579.009G0.108
F–BrF 106.6 446.0 Derived from DfH0 1996NIST

–BrBr 83.9 351.0 from ref.
–BrF2 22.6 94.6
(ortho)D2–HF 0.146G0.006, 0 K 0.610G0.024 Photofrag. 1993BOH/MIL

(para)D2–HF 0.194G0.006 0.813G0.024
BDEs in the Halogenated Molecules, Clusters and Complexes 1353
(HF)x–HF
xZ1 (1) 4.3, at 0 K 18 (1) Review (1) 1984BEY/KAR
(2) 3.0 12.7 (2) Spectroscopy (2) 1992BOH/MAR
(3) 4.5 18.9 (3) Near-IR (3) 1996AND/DAV
DfH0 from ref.
(5) 4.6G0.1 19.1G0.2 (5) Review (5) 1998KLO/QUA
2 (4) 7.9 33.1
3 (4) 7.5 31.4
4 (4) 7.8 32.6
5 (4) 10.7 44.7
6 (4) 5.2 21.7
DF–HF 3.094G0.006, 0 K 12.944G0.024 Photofrag. 1997OUD/MIL

HF–DF 3.308G0.006 13.841G0.024
(DF)2–DF O7.79, at 0 K O32.59 Spectroscopy 1993SUH/FAR
HF–HCl 1.835G0.006, 0 K 7.680G0.024 Photofrag. 1995OUD/MIL
HF–N2 (1) 1.43, at 0 K 5.98 (1) Spectroscopy (1) 1993NES/CHI

(2) 1.14G0.01 4.76G0.02 (2) Photofrag. (2) 1994BEM/BOH
(3) 1.57 6.58 (3) IR (3) 1994NES/LIN
DF–N2 (3) 1.69 7.06
HF–NO 1.281G0.014, 0 K 5.359G0.069 Photofrag. 1992SHO/CAS
HF–OC 2.09G0.025, 0 K 8.76G.1.04 Photofrag. 2000OUD/MIL
HF–H2O 6.2, at 0 K 25.9 IR 1975THO
HF–OCO 1.93G0.01, 0 K 8.06G0.05 Photofrag. 1998OUD/MIL
HF–HCN (1) 6.2, at 0 K 26.1 (1) Spectroscopy (1) 1980LEG/MIL

(2) 5.4G0.1 22.6G0.2 (2) Spectroscopy (2) 1987WOF/ELI
(3) 5.63G0.03 23.57G0.12 (3) Photofrag. (3) 1998OUD/MIL
(continued)
Table 27.1.1 (continued) BDEs of F–X Bonds
BDEs (boldfaceZ
recommended data;
HF–CH3CN 6.2G0.1, at 0 K 26.1G0.6 FT-IR 1987LEG/MIL

HF–HCCCN 4.9G0.2 20.4G0.7
F–ClO3 57 238 EI 1957DIB/REE
HF–O(CH2)2 5.48, at 0 K 22.9 FT-IR 2005ASS/GOU
HF–S(CH2)2 5.56, at 0 K 23.3 FT-IR 2004ASS/GOU
HF–C2H2 3.11G0.01, 0 K 13.02G0.02 Photofrag. 1999OUD/MOO
HF–C6H6 1.43, at 0 K 5.98 Spectroscopy 1995BET/BET
HF–CH3OCH3 10.3 43.1 IR 1971THO

–CH3OC2H5 8.84 37.0
–C2H5OC2H5 7.17 30.0
H-bond in
intramolecule
0.84–3.7 3.5–15.5 TR-NMR 2004TAK/KOT
H
O F
27.1.2 F+–X bonds

Table 27.1.2 BDEs of F+–X Bonds
BDEs (boldfaceZ
recommended data;
F+–F (1) 77.3G2.0 323.4G8.4 (1) Derived (1) 1974GUR/KAR

(2) 77.771G0.023 325.393G0.096 (2) PEI-ZEKE (2) 2005YAN/HAO
F+–He 43.41G0.02 181.62G0.08 Derived 1974GUR/KAR
FC–Ar 38.5 161.1 Ion reaction 1979HUB/HER
F+–Kr 36.4 152.4 Review 1979HUB/HER
F+–Xe 45.0 188 CID 2003KRO/WEN
HF+–HF (1) 33 138 (1) PI (1) 1979TIE/AND

(2) R33.0 R138 (2) PES (2) 1988TOM
(H2F)+(HF)x–HF
xZ0 25.1 105 PI 1979TIE/AND
1 14.8 61.9
27.1.3 FK–X bonds

Table 27.1.3 BDEs of FL–X Bonds
BDEs (boldfaceZ
recommended data;
FK–F (1) 29G2 121.3G8 (1) Derived (1) 1974GUR/KAR

(2) 28.6G1.6 119.6G6.7 (2) CID (2) 1995WEN/SQU
(3) 28.81G0.0.1 120.55G0.04 (3) Derived from (3) 1996NIST
EA in ref.
(continued)
Table 27.1.3 (continued) BDEs of FK–X Bonds
BDEs (boldfaceZ
recommended data;
FK–Cl 18.5G7 77.4G29 Derived from 1996NIST

–I 9.5G5 40G21 EA in ref.
FK–Li 90.6G5 379G21 Derived from 1996NIST

EA in ref.
FK–Na (1) 48.9G2.5 204.5G10.6 (1) PES (1) 1986MIL/LEO

EA in ref.
FK–K 62.5G5 261G21 Derived from 1996NIST

EA in ref.
FK–CrFx
xZ0 (1) 88.4G9 370G38 (1) Ion reactions (1) 1991BOL/BOR
EA in ref.
1 (1) 82.0G8.4 343G35
2 (1) 86.3G3.8 361G16
3 (1) 92.5G3.5 387G15
4 (1) 98.2G9.6 411G40
FK–Xe 6.5 27.2 Scattering 1979VRE/RES
FK–O (1) 26.7G3.5 111.8G14.5 (1) Derived (1) 1992GIL/POL

EA in ref.
FK–S (1) 65G10 272G42 (1) Derived (1) 1992GIL/POL

EA in ref.
FK–Se 65G10 272G42 Derived 1992GIL/POL
FK–N 16.5G2.4 69.1G10 Derived from 1996NIST

EA in ref.
FK–P 53G17 222G71 Derived 1999GUR/LES
FK–As 49.5G2.5 207G11 Derived from 1996NIST

EA in ref.
FK–C 120.4G7.4 504G31 Derived from 1996NIST

EA in ref.
FK(F)x–Si
xZ0 78.9G0.5 330.0G1.9 PES 1996KAW/NEG
1 84.2G2.3 352G10
2 82.3G5.1 344G21
3 %88.3 %370
FK–F2 23.5G2.5 98.4G10.6 CID 2000ART/NIZ
FK–HF (1) 38.5 161.1 (1) ICR (1) 1983LAR/MCM

(2) 45.8G1.6 191.6G6.7 (2) CID (2) 1995WEN/SQU
FK–HCl (1) 50 209 (1) Derived (1) 1971YAM/KEB

(2) 60G2 251G8 (2) ICR (2) 1985LAR/MCM
FK(Be2F4)–NaF 65.2G2.5 273G11 Ion reactions 1980NIK/SOR
FK–KF 53.5G0.8 223.8G3.3 MS 1981NIK/SID
FK(Be2F4)–KF 69.2G2.5 290G11 Ion reactions 1980NIK/SOR
(continued)
BDEs (boldfaceZ
recommended data;
FK(AlF3)–KF 28.6G2 119.7G8.4 Ion reactions 1980NIK/SOR
FK–U(F)x
DfH0 in ref
1 145G18.5 607G77
2 140G18.5 586G77
3 148G17 619G71
4 153G14.5 640G61
FK(O2)x–O2
xZ0 (1) 2.6G0.2 10.9G1.3 (1) HP MS (1) 1998HIR/NAS
1 (1) 2.5G0.2 10.5G0.8
2 (1) w1.8 w7.5
FK(N2)x–N2
xZ0 4.5G0.2 18.8G1.3 HP MS 1998HIR/NAS
1 2.8G0.2 11.7G0.8
FK–P2 34.4G2.5 144G10 Ion reactions 1992OHA/KRE
FK(NO)x–NO
xZ0 8.3G0.2 34.7G0.8 HP MS 1986HIR/NAS
1 8.2G0.2 34.3G0.8
2 4.6G0.2 19.2G0.8
FK–CF (1) 46.6G3.6 195G15 (1) Ion reactions (1) 1988MUR/LEO

(2) 51.1G2.3 214G10 (2) PES (2) 1999SCH/DAV
FK(CO)x–CO
xZ0 (1) 9.8G0.2 41.0G0.8 (1) HP MS (1) 1998HIR/NAS
1 (1) 6.3G0.2 26.4G0.8
2 (1) 5.5G0.2 23.0G0.8

3 (1) 5.0G0.2 20.9G0.8
4 (1) 2.9G0.2 12.1G0.8
5 (1) 2.5G0.2 10.5G0.8
FK–BeF2 (1) 97.3G2.3 407G10 MS (1) 1980NIK/SOR

(2) 90 377 (2) 1982SID/BOR
FK(Be2F4)–BeF2 41.8G2.5 174.9G10.5 MS 1980NIK/SOR

FK(AlF3)–BeF2 43.5G2.5 182.0G10.5
FK–FBO 50 209 ICR 1987LAR/MCM(b)
FK(CO2)x–CO2
xZ0 (1) 31.7 132.6 (1) ICR (1) 1985LAR/MCM
(2) 32.3 135.1 (2) HP MS (2) 1987HIR/MIZ(b)
(3) 30.2G9.3 126G39 (3) Photodetach. (3) 1995ARN/BRA
1 (2) 7.3 30.5
2 (2) 7.2 30.1
3 (2) 5.8 24.3
4 (2) 5.6 23.4
5 (2) 5.3 22.2
6 (2) w3.9 w16.3
FK(N2O)x–N2O
xZ0 (1) 9.87G0.3 41.3G1.3 (1) HP MS (1) 1993HIR/ARU
1 (1) 9.23G0.3 38.6G1.3
2 (1) 8.42G0.3 35.2G1.3
3 (1) 7.40G0.3 31.0G1.3
4 (1) 6.33G0.3 26.5G1.3
5 (1) 6.03G0.3 25.2G1.3
6 (1) 3.3G0.3 13.8G1.3
FK–HNO 33.0G3 138G13 FT MS 1997JAN/ZHO
FK–HCN 39.5 165.3 ICR 1983LAR/MCM
(continued)
BDEs (boldfaceZ
recommended data;
FK–AsFO 54G7 226G29 ICR 1997LAR/MCM(b)

–AsFS 56G6 234G25
FK(H2O)x–H2O
xZ0 (1) 23.3 97.5 Equilibrium (1) 1970ARS/YAM
(2) 26.2G0.8 109.6G3.3 (2) 1999WEI/KEM
1 (1) 16.6 69.5
(3) 19.2G0.5 80.3G2.1 (3) 1988HIR/MIZ
2 (1) 13.7 57.3
(3) 15.3G0.4 64.0G1.7
3 (1) 13.5 56.5
(3) 13.9G0.4 58.2G1.7
4 (1) 13.2 55.2
(3) 12.3G0.4 51.5G1.7
5 (3) 10.9G0.3 45.6G1.3
6 (3) 10.4G0.3 43.5G1.3
7 (2) 11.2G0.4 46.9G1.7
8 (2) 11.1G0.5 46.4G2.1
9 (2) w11 w46
FK–D2O 23.0G2.0 96.2G8.4 ICR 1988LAR/MCM
FK–H2S 34.6 144.8 ICR 1983LAR/MCM
FK–SO2 (1) %46G2 %192G8 (1) ICR (1) 1977MUR/BEA

(2) 43.8 183.3 (2) ICR (2) 1983LAR/MCM
(3) O59 O247 (3) MS (3) 1986KEE/CAS
(4) 53.0G2.5 221.8G10.5 (4) CID (4) 1992SQU(b)
(5) 53.8G2.2 225G9 (5) CID (5) 2003LOB/CHE(b)
FK–COS 31.8 133.1 ICR 1985LAR/MCM

FK(SCO)x–SCO
xZ1 7.0G0.3 29.3G1.3 HP MS 2004HIR/FUJ
2 5.6G0.3 23.4G1.3
3 5.1G0.3 21.3G1.3
FK(CS2)x–CS2
xZ0 (1) 31.3 131.0 (1) ICR (1) 1985LAR/MCM
(2) 35.0G1.5 146.4G6.3 (2) HP MS (2) 1993HIR/FUJ
1 (2) 6.71G0.2 28.1G0.8
2 (2) w5.4 w23
FK–SSO 44.0G3.0 184G14 ICR 1987LAR/MCM(b)
FK–FPS 62G5 259G21 ICR 1987LAR/MCM
FK–SiF2 67 280 ICR 1987LAR/MCM(b)
FK(MnF2)x–MnF2
xZ0 (1) 93.4G2.0 390.8G8.4 MS (1) 1982SID/GUB
(2) 83.9G3.8 351G16 (2) 1992BOL/BOR
1 (1) 49.1G2.0 205.4G8.4
FK(FeF2)x–FeF2
xZ0 (1) 87.7G3.6 367G15 MS (1) 1992BOL/BOR
1 (2) 48.3G8.8 202G37 (2) 1986SID/BOR
FK(FeF3)–FeF2 50.4 211 MS 1986SID/BOR
FK–NiF2 80.8G3.6 338G15 MS 1992BOL/BOR
FK–CuF2 83.8G4.1 351G17 MS 1986KUZ/KOR
FK–ZnF2 80.5G4.5 337G19 MS 1986NIK/IGO
(continued)
BDEs (boldfaceZ
recommended data;
FK(YF3)x–YF3
xZ0 114G5 477G21 MS 1981PYA/GUS(b)
1 56G5 234G21
FK(ScF3)x–ScF3
xZ0 (1) 113.3G3.6 474G15 MS (1) 1992BOL/BOR
1 (2) 54.5G0.2 228.0G0.8 (2) 1981NIK/SID
FK–CeF3 109.7G7 459G29 MS 1981SID/SOR
FK–MnF3 100.6G3.1 421G13 MS 1984CHI/KOR
FK–FeF3 109.0G3.3 456G14 MS 1984CHI/KOR
FK–CoF3 105.7G6 442G25 MS 1997RAU/CHI
FK(AlF3)x–CoF3 55G12 230G50 MS 1987SID/NIK
FK–RhF3 95.8G3.4 401G14 MS 1984CHI/KOR
FK–AuF3 101.8G6.0 426G25 MS 1986CHI/KOR
FK–BOF2 48.0G4 201G17 ICR 1983LAR/MCM(b)
FK–BF3 (1) 72.0G5 301G21 (1) ICR (1) 1985LAR/MCM

(2) 79.1G2 331G8 (2) Ion reactions (2) 1991VEL/NES
(3) 78.5G3.3 328G14 (3) Ion reactions (3) 1996ALE/BOR
FK–BCl3 O85G10 O356G42 Ion reactions 1973HAA/MCD
FK(AlF3)x–AlF3
xZ0 (1) 117.2 490 MS (1) 1979NIK/SKO
(2) 119.0G1.6 498G6.7 (2) 1980SID/NIK
(3) 114 477 (3) 1981PYA/GUS
(4) 116.6G1.9 488G7.9 (4) 1986NIK/IGO
1 (1) 48.8 204
(3) 56 234
FK–AlFCl2 119.3G2.9 499G12 Ion reactions 1992PER/KOR

–AlF2Cl 117.4G2.9 491G12
–AlCl3 120.9G3.0 506G13
FK(AlF3)–GaF3 48.3G4.2 202G18 MS 1985ZHU/NIK
FK(GaF3)x–GaF3
xZ0 110.2G4.1 461G17 MS 1985ZHU/NIK
1 51.9G4.7 217G20
FK–SO3 (1) 78G10 326G42 (1) ICR (1) 1985LAR/MCM

(2) 81.6G3.3 341G14 (2) Ion reactions (2) 1992VIG/HEN
FK–SF3 (1) 63.2G9.3 264G39 Ion reactions (1) 1981BAB/STR

(2) 43.5G7.6 182G32 (2) 1991VIG/MIL
(3) 42.4G3.2 177G13 (3) 1995MIL/MIL
FK–SF4 (1) 43.8 183.3 (1) ICR (1) 1985LAR/MCM

(2) 54.9G2.3 230G10 (2) CID (2) 2003LOB/CHE
FK–SF5 42.7G2.8 178G12 CID 2003LOB/CHE
FK(SF6)x–SF6
xZ0 5.4 22.6 HP MS 1995HIR/SHI
1 w4.0 w16.7
(continued)
BDEs (boldfaceZ
recommended data;
FK–SaOF2 37.4 157 ICR 1983LAR/MCM(b)

–SaSF2 36.0G3 151G12.6
–SaSiF2 72 301
FK–NH3 !23 !96 FA 1973SPE/FER
FK–NF3 7.2G0.3 30.1G1.3 HP MS 1995HIR/SHI
FK–FNO2 8 34 ICR 1987LAR/MCM(b)

–FPO2 90 377
FK–PF3 (1) 40.2 168 (1) ICR (1) 1985LAR/MCM

(2) 47.8G2.4 200G10 (2) Revised (2) 2002HEI/CHE
FK–AsF3 48.2 202 ICR 1985LAR/MCM
FK–HC(O)H 35.3 148 ICR 1983LAR/MCM
FK–FC(O)F (1) 42.6G2.0 178G8.4 (1) ICR (1) 1983LAR/MCM

(2) 44.3G2.6 185G11 (2) Review (2) 1996HUE/DUN
FK–FSi(O)F 102G17 427G71 ICR 1983LAR/MCM(b)
FK–SiOF2 105 439 ICR 1987LAR/MCM(b)
FK–FC(O)H O18.1 O75.7 Ion reactions 1977KAR/KLE

FK(AlF3)–BeF2NaF 45.9G2.0 192.0G8.4 MS 1980SID/NIK

–BeF2KF 45.8G2.0 191.6G8.4
FK(Be2F4)–BeF2KF 44.9G2.0 188G8.4 MS 1980NIK/SOR
FK–ThF4 104.2G3.5 436G15 MS 1983SID/ZHU
FK–UF4 100.9G3.6 422G15 MS 1992BOL/BOR
FK–TiF4 86.3G3.8 361G16 MS 1992BOL/BOR
FK–ZrF4 51.2G1.0 214.2G4.2 MS 1982SKO/SOR
FK–HfF4 102.5G4 429G17 MS 1986NIK/IGO
FK–VF4 87.2G5.8 365G24 MS 1989KUZ/KOR
FK–MoF4 91.5G3.3 383G14 MS 1988BOR/BOL
FK–WF4 64.6 270 MS 1973THY/HAR
FK–MnF4 83G20 347G84 MS 1984KOR/CHI
FK–RuF4 97.0G4.2 406G18 MS 1989KUZ/KOR
FK–OsF4 87.0G6.4 364G27 MS 1989KUZ/KOR
FK(CH4)x–CH4
xZ0 (1) 6.7G0.2 28.0G0.8 (1) HP MS (1) 2001HIR/MIZ
1 (1) 5.9G0.2 24.7G0.8
(continued)
BDEs (boldfaceZ
recommended data;
2 (1) 5.5G0.2 23.0G0.8

3 (1) 5.0G0.2 20.9G0.8
4 (1) 4.5G0.2 18.8G0.8
5 (1) 4.2G0.2 17.6G0.8
6 (1) 3.3G0.2 13.8G0.8
7 (1) 2.9G0.2 12.1G0.8
8 (1) 2.3G0.2 9.6G0.8
9 (1) 1.8G0.2 7.5G0.8
FK(CF4)x–CF4
xZ0 (1) 6.4 26.8 (1) HP MS (1) 1995HIR/NAS
1 (1) 5.9 24.7
2 (1) 4.1 17.2
3 (1) 3.9 16.3
4 (1) w2.4 w10
FK–CHF3 27.1 113.4 ICR 1983LAR/MCM
FK–CH2F2 (1) 50.8G2.9 213G12 (1) Derived (1) 1979BAR/SCO

(2) 55.9G2.7 234G11 (2) CID (2) 1991PAU/SQU
FK–CH2CO (1) 44.7G3 187G13 (1) ICR (1) 1980FAR/MCM

(2) 35.3 148 (2) ICR (2) 1983LAR/MCM
(3) 44.5G3.9 186G16 (3) Derived (3) 1995WEN/SQU
FK–HC(O)OH 45.3 190 ICR 1983LAR/MCM
FK(SiF4)x–SiF4
xZ0 (1) 60.0G4 251G17 (1) ICR (1) 1983LAR/MCM
1 (2) 9.6G0.3 40.2G1.3 (2) HP MS (2) 2000HIR/NAS
FK–GeF4 100G7 418G29 Ion reactions 1984MAL/ROS

FK–SiCl4 27.5G1.7 115G7 CID 2005HAO/KAS

–GeCl4 39.9G1.7 167G7
–SnCl4 60.0G2.9 251G12
FK–OaPF3 47.9 200.4 ICR 1985LAR/MCM
FK–SaPF3 32G10 134G42 Ion reactions 1971RHY/DIL
FK–SO2F2 35.8 150 ICR 1985LAR/MCM

–CFOCFO 45.7 191
–CF3CFO 45.6 191
–CF3CF2CFO 47.2 198
–CF3COCF3 49.7 208
FK–FClO2 33 138 ICR 1987LAR/MCM(b)

–FClO3 24 100
–F3ClO2 31 130
–F3ClO 30 126
FK–Mo(O)F4 96.2G3 403G13 Ion reactions 1985BOR/SID
FK–S(O)F4 58.0G3 243G13 ICR 1987LAR/MCM(b)
FK(CH3OH)x–CH3OH
xZ0 (1) 29.6 123.8 (1) ICR (1) 1983LAR/MCM
(2) 23.3 97.5 (2) HP MS (2) 1991HIR/YAM(b)
(3) 29.6G0.5 123.8G2.1 (3) Photodetach (3) 1997YAN/LIN
(4) 29.4G2.2 123G9 (4) CID (4) 1999DET/ERV
1 (2) 19.3 80.8
(5) 20.3G0.3 84.9G1.3 (5) HP MS (5) 1999BOG/PES
2 (2) 14.5 60.7
(5) 15.1G0.6 63.2G2.5
3 (2) 12.5 52.3
4 (2) 11.9 49.8
5 (2) 11.5 48.1
6 (2) 9.8 41.0
7 (2) 9.7 40.6
8 (2) 9.2 38.5
(continued)
BDEs (boldfaceZ
recommended data;
9 (2) 8.8 36.8

10 (2) 8.6 36.0
11 (2) w8.5 w36
FK–CH3SH 34.2 143 ICR 1983LAR/MCM
FK(CH3CN)x–CH3CN
xZ0 (1) 16.0 66.9 HP MS (1) 1972YAM/KEB
(2) 24.5 102.5 (2) 1994HIR/YAM
1 (1) 12.9 54.0
(2) 17.7 74.1
2 (1) 11.7 49.0
(2) 15.1 63.2
3 (1) 10.4 43.5
(2) 12.8 53.6
4 (1) 5.3 22.2
(2) 11.5 48.1
5 (2) 9.7 40.6
6 (2) w8.5 w36
FK–CF3CN 29.2 122 ICR 1985LAR/MCM

–CF3CF2CN 30.1 126
–CF3CF2CF2CN 30.8 129
FK–F2CCFH (1) 24.3G6 102G25 (1) Derived (1) 1976SUL/BEA

(2) 26.3G2 110G8 (2) ICR (2) 1983LAR/MCM
FK–F2CCH2 26.7G5 112G21 Derived 1976SUL/BEA

–FHCCH2 15.6G4 65G17
–H2CCH2 6.3G3 26.4G12.6
FK–CF3CHF2 30.4 127 ICR 1983LAR/MCM

FK(MnF2)–AlF4Li 54.7G2.0 229G8.4 MS 1982SID/GUB
FK(AlF3)x–AlF4Na 39.6G2.2 166G9.2 MS 1980SID/NIK

–AlF4K 35.1G1.5 147G6.3
FK–Be2F4 111G2 464G8 Ion reactions 1980NIK/SOR
FK–UFx
xZ5 (1) 108G6 452G25 Ion reactions (1) 1976BEA
6 (1) 46G10 192G42
(2) 56.6G7.2 237G30 (2) 1984PYA/GUA
FK–WF6 69.0G5 289G21 ICR 1979GEO/BEA
FK–SOF4 58G2 243G8 ICR 1987LAR/MCM

–FPO6 56 234
FK–F2SiCH2 46G2 193G8 ICR 1990ALL/MCM

–F(CH3)SiCH2 40G2 167G8
–(CH3)2SiCH2 37G2 155G8
FK–PF5 (1) 85G10 356G42 (1) ICR (1) 1983LAR/MCM

(2) 78.6G3.3 329G14 (2) Ion reactions (2) 1996ALE/BOR
FK–AsF5 O85G10 O356G42 ICR 1973HAA/MCD
FK–TeF5 192G11 803G46 Ion reactions 1978COM/REI
FK–CH3SiF3 (1) 61.5 257 ICR (1) 1977MUR/BEA

(2) 50.5 211 (2) 1985LAR/MCM
FK–CF2HCH2F 26.5 111 ICR 1983LAR/MCM

–CF3CH2NH2 28.1 118
(continued)
BDEs (boldfaceZ
recommended data;
FK(L)x–L,
LaCH3CH2OH
xZ0 (1) 31.5 132 (1) ICR (1) 1983LAR/MCM
(2) 32.4G0.5 135.6G2.1 (2) HP MS (2) 1999BOG/PES
(3) 32.5G2.2 136G9 (3) CID (3) 1999DET/ERV
1 (2) 20.6G0.3 86.2G1.3
2 (2) 15.6G0.1 65.2G0.4
FK–CH2FCH2OH 34.8 146 ICR 1983LAR/MCM

–CF3CH2OH 39.1 164
FK–(CHF2)2O 36.0 151 ICR 1983LAR/MCM

–CH3COOH 44.1 185
FK–CH2CCH2 14.8G3.7 62G15 Derived 1984BAR/BUR
FK(C3H6)x–C3H6
xZ0 (1) 9.8G0.3 41.0G1.3 (1) HP MS (1) 2001HIR/KAT
1 (1) 8.8G0.3 36.8G1.3
2 (1) 7.8G0.3 32.6G1.3
3 (1) 6.7G0.3 28.0G1.3
4 (1) 6.0G0.3 25.1G1.3
5 (1) 5.6G0.3 23.4G1.3
FK–CF2C(O)CHF2 27 113 ICR 1984LAR/MCM
FK–CH3C(O)CH3 O25.9 O108 Ion reactions 1983SHE/BOW
FK–n-C3H7OH 32.3 135 ICR 1983LAR/MCM

FK(i-C3H7OH)x–i-
C3H7OH
xZ0 (1) 32.3 135 (1) ICR (1) 1983LAR/MCM
(2) 33.5G0.7 140.2G2.9 (2) HP MS (2) 1999BOG/PES
(3) 33.2G2.2 139G9 (3) CID ERV/ERV
1 (2) 20.8G0.2 87.0G0.8
2 (2) 17.6G0.2 73.6G0.8
FK–(CF3)2CHOH 47.0G2.0 197G8 ICR 1983LAR/MCM

–(CH2F)2CHOH 37.8 158
FK–(CH3)3CF 22.3 93.3 ICR 1983LAR/MCM

–(CH3)3CBr 22.3 93.3
FK–n-C4H9OH 32.2 135 ICR 1983LAR/MCM
FK(L)x–L, LZt-
C4H9OH
xZ0 (1) 33.3 139 (1) ICR (1) 1983LAR/MCM
(2) 33.4G0.7 139.7G2.9 (2) HP MS (2) 1999BOG/PES
(3) 32.7G2.2 137G9 (3) CID (3) 1999DET/ERV
1 (2) 22.0G0.4 92.0G1.7
2 (2) 18.3G1.0 76.6G4.2
FK–t-C4F9OH 56.3G2.0 236G8 ICR 1985LAR/MCM
FK–(CH3)3CCHO 24.6 103 ICR 1983LAR/MCM
FK–t-C4H9CH 34.9 146 Derived 1996MIH/GAT

(CH3)OH
–t-C 4 H 9 CH 33.8 141
(C2 H5)OH
FK–Si(CH3)2F2 55.5 232 ICR 1977MUR/BEA
FK–SiMeF3 50.5 211 ICR 1985LAR/MCM

–SiMe3F 38.3 160
–SiMe4 29.9 125
(continued)
BDEs (boldfaceZ
recommended data;
FK–SiMe3R
RZOCH2CH3 31.4G1.2 131.4G4.8 CID 2005KRO/WEN
OCH2CF3 23.8G1.2 99.6G4.8
OCH(CH3)2 32.1G1.8 134.3G7.5
OSiMe3 21.4G2.1 89.5G8.8
FK(C5F8)x–(C5F8)
xZ0 R30 R126 MS 2005HIR/FUJ
1 6.7G0.3 28.0G1.3
FK–BF2(OCH3) 62 259 ICR 1985LAR/MCM
FK–BF(CH3)2 61.8 259 ICR 1977MUR/BEA
FK–BF(OMe)2 52G5 218G21 ICR 1985LAR/MCM

–B(OMe)3 42G3 176G13
–B(OEt)3 44G3 184G13
FK–BMe3 (1) 58.5 245 ICR (1) 1977MUR/BEA

(2) 47.2 198 (2) 1985LAR/MCM
–BEt3 (2) 51.0G2 213G8
F–BEt3 62.0 259 ICR 1977MUR/BEA

–BFEt2 64.0 268
–B(iPr)3 65.0 272
–BF(iPr)2 66.5 278
FK–Fe(CO)5 40.9G3 171G13 Ion reactions 1985LAN/SAL
FK–F9Mo2 96.1G8.6 402G36 Ion reactions 1984PYA/GOR

FK–F9U2 124G12 519G50 Ion reactions 1988BOR/BOL
FK–F10U2 129G12 540G50 Ion reactions 1984PYA/GOR
FK–H16B4U 45.0G8.1 188G34 Electronattach. 1984BAB/HER
FK–C6H6 15.3 64 HP MS 1987HIR/MIZ
FK(C6F6)x–C6F6
xZ0 27.5 115 HP MS 1987HIR/MIZ
1 7.5 31.4
FK–C6F5H 29.2 122 HP MS 1987HIR/MIZ

–C6F5CF3 33.6 141
–C6F5C(O)CF3 37.5 157
–C6F5CN 39.3 164
–C6F5NO2 41.1 172
FK–C6F5CH2OH 32.4 136 Derived 1996MIH/GAT
FK–C6H5OH 41.3 173 ICR 1983LAR/MCM

–C6H5CH2F 24.4 102
–C6H5NH2 31.2 131
FK–(CH3)2[cyclo- 37.7G2.2 158G9 Ion reactions 1981SUL/DEP

Si(CH2)3]
FK(C4H10BF)x–
C6H10BF
xZ0 (1) 58G5 243G21 (1) ICR (1) 1985LAR/MCM
1 (2) 22.0G0.4 92.0G1.7 (2) Ion reactions (2) 1999BOG/PES
2 (2) 18.3G1.0 76.6G4.2
(continued)
BDEs (boldfaceZ
recommended data;
FK–CH2F(cyclo- 25.5 107 ICR 1983LAR/MCM

C2H3O)
–pyrrole 34.2 143
FK
2 –F 30.0G3 126G13 CID 2000ART/NIZ
27.2 Cl–, ClC–, and ClK–X bonds

27.2.1 Cl–X bonds
Table 27.2.1 BDEs of Cl–X Bonds
BDEs (boldfaceZ
recommended data;
(boldfaceZdissociated (reference in References
fragment) kcal/mol kJ/mol parentheses)
Cl–Cl (1) 57.978G0.001 242.580G0.004 Spectroscopy (1) 1979HUB/HER

(2) 57.939G0.461 242.417G1.930 (2) 1997SAM/SAK
Cl2–Cl 1 4 Est. by exp. 1989KAW/SAT
Cl–F (1) 61.24 256.23 Spectroscopy (1) 1974NOR

(2) 62.34 260.83 (2) 1999ALE/SET
Cl–Br (1) 52.0G0.1 217.5G0.3 Spectroscopy (1) 1979CLY/MCD

(2) 52.42G0.01 219.32G0.05 (2) 1995TEL
Cl–I 50.5G0.1 211.3G0.4 Spectroscopy 1968GAY
35
Cl–I 50.540G0.001 211.459G0.001 Spectroscopy 1978KIN/MCF
37
Cl–I 50.551G0.001 211.507G0.001
Cl2–He (1) 0.03, at 0 K 0.11 (1) Review (1) 1988EVA/CLI

(2) 0.15 0.64 (2) Spectroscopy (2) 1989CLI/SIV
(3) 0.11 0.46 (3) Combined (3) 1993BEN/CAS
HCl–He 0.03, at 0 K 0.12 Spectroscopy 1990lOV/NES
Cl2–Ne 0.16, at 0 K 0.66 Review 1988EVA/CLI
HCl–Ne w0.09, at 0 K w0.4 Near IR 1988LOV/NES
ICl–Ne 0.14, at 0 K 0.58 Spectroscopy 1987DRO/LES
Cl2–Ar 0.54, at 0 K 2.25 Spectroscopy 1988EVA/CLI
FCl–Ar 0.66, at 0 K 2.75 Review 1988EVA/CLI
HCl–Ar (1) 1.1, at 0 K 4.6 Spectroscopy (1) 1963RAN/SIT

(2) 0.5 2.2 (2) 1982BOO/EIS
(3) 0.33 1.36 (3) 1985HOW/PIN
(4) 1.3 5.4 (4) 1988HUT
FCl–Kr 0.83, at 0 K 3.45 Review 1988EVA/CLI
Cl–Xe (1) 1.6 6.7 (1) Spectroscopy (1) 1979HUB/HER

(2) 1.69 7.08 (2) Spectroscopy (2) 1983TEL
(3) 1.36 5.68 (3) Scattering (3) 1992AQU/CAP
HCl–Xe (1) 1.6, at 0 K 6.7 Spectroscopy (1) 1963RAN/SIT

(2) 0.9 4.0 (2) 1982BOO/EIS
Cl–H (1) 103.16 431.62 (1) Spectroscopy (1) 1979HUB/HER

(2) 103.093G0.002 431.340G0.010 (2) Spectroscopy (2) 1998MAR/HEP
(3) 103.090G0.003 431.328G0.014 (3) Spectroscopy (3) 2002MIC/KOR
(4) 103.099G0.003 431.361G0.013 (4) TIPPS (4) 2003HU/MEL
(continued)
Table 27.2.1 (continued) BDEs of Cl–X Bonds
BDEs (boldfaceZ
recommended data;
(boldfaceZdissociated (reference in References
fragment) kcal/mol kJ/mol parentheses)
Cl–D (1) 104.32 436.47 (1) Spectroscopy (1) 1979HUB/HER

(2) 104.279G0.003 436.303G0.011 (2) TIPPS (2) 2003HU/MEL
–T (1) 104.84 438.64
Cl2–Cl2 1 4 Est. by exp. 1989KAW/SAT
Cl–BrBr 38.9 163 Derived from 1996NIST

DfH0 from ref.
ClH–HF 1.84, at 0 K 7.68 Photofrag. 1995OUD/MIL
HCl–HCl (1) 2.14, at 0 K 9.0 (1) Spectroscopy (1) 1963RAN/SIT

(2) 1.23G0.06 5.16G0.26 (2) IR (2) 1986PIN/HOW
(3) 1.25 5.24 (3) POSTS (3) 1996NI/SER
(4) 1.26G0.01 5.25G0.01 (4) Spectroscopy (4) 2000NI/SER
(5) 1.26 5.25 (5) Spectroscopy (5) 2004VIS/OUD
HCl–OCO w1.23, at 0 K w5.14 IR 1996OUD/OLS
HCl–SO2 3.5, at 0 K 14.6 IR spectra 1959BUR/SMI
Cl–CH3SCH3 w16, at 0 K w67 Spectroscopy 2004ENA/YAK
HCl–C2H2 2.37, at 0 K 9.93 Photofrag. 1999OUD/MIL
HCl–C2H4 (1) !3.18G0.74, 0 K !13.31G3.10 (1) PI (1) 1986WAL/GRO

(2) 1.5–2.1 6.4–8.7 (2) IR (2) 1997HER/EVE
HCl–C6H6 (1) 4.79G0.12, 0 K 20.04G0.50 (1) PI (1) 1985WAL/GRO

(2) 1.8–3.8 7.5–15.9 (2) REMPI (2) 1990GOR/GAR
(3) 2.90G0.50 12.13G2.09 (3) Re-cal. (3) 2002MON/DIM(b)
HCl–CH3OCH3 (1) 7.1G0.8, 0 K 29.7G3.3 (1) Raman spec. (1) 1968GOV/CLA

(2) 6.7G0.4 28.0G1.7 (2) NMR (2) 1974GIL/BER
HCl–C2H5OC2H5 4.7G0.7, at 0 K 19.7G2.9 IR 1960INS/DIC
HCl–furan 2.52, at 0 K 10.56 Spectroscopy 1995BET/BET
27.2.2 ClC–X bonds

Table 27.2.2 BDEs of ClD–X Bonds
BDEs (boldfaceZ
recommended data;
ClC–Cl (1) 92.0 384.8 (1) Derived (1) 1979HUB/HER

IP in ref.
(H2Cl)C–Cl 9.5 39.6 PI 1979TIE/AND
ClC–F (1) 66G7 276G29 (1) Derived (1) 1974GUR/KAR

IP in ref.
ClC–Ar (1) 43.5 182 Derived (1) 1988BAL/FEN

(2) 40.4 169 (2) 1989CHA/BAL
ClC–H (1) 109.5G0.4 458.1G1.7 (1) Derived (1) 1974GUR/KAR

IP in ref.
(3) 108.206G0.001 452.734G0.006 (3) Spectroscopy (3) 2002MIC/KOR
(4) 108.208G0.004 452.741G0.018 (4) TIPPS (4) 2003HU/MEL
ClC–D 109.294G0.004 457.284G0.017 TIPPS 2003HU/MEL
(continued)
Table 27.2.2 (continued) BDEs of ClC–X Bonds
BDEs (boldfaceZ
recommended data;
ClC–O (1) 123G20 515G84 (1) Derived (1) 1974GUR/KAR

IP in ref.
ClC–S 152.2 637 MS 1981KAU/VAH

–SCl 151.3 633
ClC–N 155.4G2.4 650G10 Derived from IP 1996NIST

in ref.
HClC–Ar 5.5G0.9 23.2G3.9 UV PI 1997LI/WAN
HClC–HCl 20.1 83.9 PI 1979TIE/AND
ClC–CCl3 106.8G2.3 447G9.6 UV PI 1996LI/RAN
ClC–CH2Cl 123.8 518 UV PI 1996LI/RAN(d)
ClC–CHF2 146.4G1.2 613G4.8 UV PI 1996ZHA/SHE
ClC–C2H3 163.7G1.2 685G4.8 UV PI 1995SHE/QI
HClC–C2H4 K0.3G0.9 K1.3G3.8 Derived 1986WAL/GRO
Cl2C–O2 13.6G1.7 57G7 CID 2005BAI/HAO

27.2.3 ClK–X bonds

Table 27.2.3 BDEs of ClL–X Bonds
BDEs (boldfaceZ
recommended data;
ClK–Cl (1) 29.1 121.6 (1) Derived (1) 1979HUB/HER

EA in ref.
ClK–F R36.9G9.2 R154G39 GIB MS 2001ANG/ERV
ClK–I 23.2G2.4 97G10 Derived 2004ANG/ERV
ClK–Li 41.2G0.5 172.4G1.9 PES 1986MIL/LEO

–Na 31.8G2.3 133.1G9.6
–K 33.6G2.3 140.6G9.6
–Rb 31.3G2.3 131.0G9.6
–Cs 32.5G2.3 136.0G9.6
ClK–Mg 29.3G2.3 122.6G9.6 PES 1988MIL/LIN
ClK–Cr 32.3G5 135G21 Derived from EA 1996NIST

in ref.
ClK–Ag (1) 125.0G1.1 523.2G4.8 PES (1) 1999LEN/YOU

(2) 121.9 510 (2) 2000DIS/BOE
ClK–Pb (1) 12 50 (1) Derived (1) 1974GUR/KAR

EA in ref.
ClK–Kr 2.2G0.1 9.2G0.4 Electron spectra 2002YOU/LEN
ClK–Xe 3.1 13.0 MS 1980THA/EIS
(continued)
Table 27.2.3 (continued) BDEs of ClK–X Bonds
BDEs (boldfaceZ
recommended data;
ClK–O (1) 33.4G0.2 139.7G0.8 (1) Derived (1) 1992GIL/POL

(2) 33.4G1.6 139.7G6.7 (2) PES (2) 2000DIS/BOE
ClK–As 53.7G2.5 224.7G10.5 Derived from EA 1996NIST

in ref.
35
ClK–H2(ortho) 1.40, at 0 K 5.84 IR 2001WIL/WEI
–D2(para) 1.43 5.97
–D2(ortho) 1.60 6.69
ClK–O2 138.6 580 PES 2000DIS/BOE
ClK–Cl2 23.7G1.2 99G5 CID 1998NIZ/POM
ClK–HF (1) 14 59 (1) Derived (1) 1971YAM/KEB

(1) 21.8 91.2 (2) ICR (2) 1984LAR/MCM
ClK(HCl)x–HCl
xZ0 (1) 23.7G0.2 99.2G0.8 (1) HP MS (1) 1974YAM/KEB
(2) 23.1 96.7 (2) ICR (2) 1984LAR/MCM
(3) 23.8 99.6 (3) HP MS (3) 1985CAL/KEB
(4) 29.6G1.0 123.8G4.2 (4) PES (4) 1988MET/KIT
1 (1) 15.2G0.2 63.6G0.8
(3) 14.0 58.6
2 (1) 11.7G0.3 49.0G1.3
3 (1) 10.3G0.7 43.1G2.9
ClK(H2O)(HCl)x–HCl
xZ0 16.0 66.9 Review 1986KEE/CAS
1 12.3 51.5
ClK(H2O)2–HCl 13.0 54.4 Review 1986KEE/CAS

ClK–CF 21.9G1.1 91.6G4.6 CID 1999JES/SQU

–CCl 33.4G2.3 139.7G9.6
ClK–CH (1) 38.3G2.0 160.2G8.4 (1) PES (1) 1992GIL/ERV

(2) 37.7G2.3 157.7G9.6 (2) CID (2) 1999JES/SQU
ClK–CO O5.0 O21 ICR 1976KAR/KLE
ClK(NO)x–NO
xZ0 4.1 17.2 HP MS 2000HIR/IIN
1 6.4 26.8
ClK–SmCl2 61.5G0.5 257.3G2.1 MS 1998KHA/POG
ClK–EuCl2 117.6G7.9 492G33 MS 1993KUD/BUR
ClK–YbCl2 O56.4 O236 MS 1997KUZ/KUD
ClK(NdCl2)x–NdCl2
xZ0 65.5G3.6 274G15 MS 1993KUD/POG
1 88.2G5.3 369G22
ClK–CH2 (1) 28.1G3.2 117.6G13.4 (1) FT-ICR (1) 1985ING/NIB

(2) 23.1G2.9 96.7G12.1 (2) CID (2) 1997POU/NAS
(3) R27.7G2.3 R116G10 (3) GIB MS (3) 2001ANG/ERV
ClK–CHF 22.7G2.2 95.0G9.2 CID 1997POU/PAU
ClK–CHCl (1) 37.0G2.7 154.8G11.3 (1) CID (1) 1997POU/PAU

(2) 36.5G3.0 152.7G12.6 (2) FT-ICR (2) 2000BOR/ING
ClK–CCl2 30.8G2.7 128.9G11.3 CID 1997PAU/SQU
(continued)
BDEs (boldfaceZ
recommended data;
ClK(HCN)x–HCN
xZ0 (1) 21.0 87.9 (1) ICR (1) 1984LAR/MCM
(2) 21.9 91.6 (2) HP MS (2) 1988MEO/CYB
1 (2) 17.9 74.9
2 (2) 13.6 56.9
3 (2) 11.2 46.9
4 (2) 8.8 36.8
5 (2) 8.7 36.4
6 (2) 7.9 33.1
7 (2) 8.2 34.3
8 (2) 7.5 31.4
ClK(CO2)x–CO2
xZ0 (1) 8.0 33.5 (1) HP MS (1) 1980KEE/LEE
(2) 7.6 31.8 (2) HP MS (2) 1986HIR/SHO
(3) 6.8G0.5 28.5G2.1 (3) PD (3) 1995ARN/BRA
1 (2) 7.2 30.1
2 (2) 6.8 28.5
3 (2) w6.4 w27
ClK(N2O)x–N2O
xZ0 (1) 5.79G0.3 24.2G1.3 (1) HP MS (1) 1993HIR/ARU
1 (1) 5.63G0.3 23.6G1.3
2 (1) 5.13G0.3 21.5G1.3
3 (1) 4.85G0.3 20.3G1.3
4 (1) 4.8G0.3 20.1G1.3
ClK(SO2)x–SO2
xZ0 (1) 21.8 91.2 (1) HP MS (1) 1980KEE/LEE
(2) 22.1 92.4 (2) FA (2) 1984BOH/FAH
(3) 20.9 87.4 (3) ICR (3) 1985LAR/MCM
(4) 22.2 92.9 (4) HP MS (4) 1985CAL/KEB
1 (1) 12.3 51.5
(4) 12.3 51.5
2 (1) 10.0 41.8
3 (1) 8.6 36.0
ClK(H2O)x–SO2
xZ1 17.4 72.8 HP MS 1984UPS/SCH
2 14.1 59
ClK(H2O)(SO2)–SO2 11.8 49.4 HP MS 1984UPS/SCH
ClK–SCl2 20.3G2 85G8 CID 2000GAI/POM
ClK–SeCl2 31.8G2.2 133G9 CID 2003LOB/HAO

–TeCl2 40.6G1.7 170G7
ClK(CS2)x–CS2
xZ0 (1) 11.7 49 (1) ICR (1) 1985LAR/MCM
(2) 8.77G0.2 36.7G0.8 (2) HP MS (2) 1993HIR/FUJ
1 (2) 7.84G0.2 32.8G0.8
2 (2) 7.18G0.2 30.0G0.8
3 (2) w6.8 w29
ClK(SCO)x–SCO
xZ0 (1) 10.8G0.3 45.2G1.3 (1) HP MS (1) 2004HIR/FUJ
1 (1) 7.3G0.3 30.5G1.3
2 (1) 6.8G0.3 28.5G1.3
3 (1) 6.6G0.3 27.6G1.3
4 (1) w6.5 w27
ClK(H2O)x–H2O
xZ0 (1) 13.1 54.8 (1) HP MS (1) 1970ARS/YAM
(2) 14.9G0.2 62.3G0.8 (2) HP MS (2) 1980KEE/CAS
(3) 14.8 62 (3) MS (3) 1982BUR/HAY
(4) 14.4 60.2 (4) ICR (4) 1984LAR/MCM
(5) 14.7G0.6 61.5G2.5 (5) HP MS (5) 1988HIR/MIZ
1 (1) 12.7 53.1
(2) 12.6G0.1 52.7G0.4
(5) 13.0G0.4 54.4G1.7
(6) 13.8 57.9 (6) PES (6) 1994MAR/POL
(7) 11.9 49.8 (7) HP MS (7) 1995DUN/MCM
2 (1) 11.7 49.0
(2) 11.5G0.3 48.1G1.3
(5) 11.8G0.3 49.4G1.3
(6) 12.2 51.1
(7) 9.5G0.5 39.7G2.1
(continued)
BDEs (boldfaceZ
recommended data;
3 (1) 11.7 49.0

(2) 10.9G0.7 45.6G2.9
(5) 10.6G0.3 44.4G1.3
(6) 9.7 40.6
4 (5) 9.5G0.3 39.7G1.3
(6) 6.7 28
5 (5) 8.8G0.4 36.8G1.7
(6) 8.5 35.7
6 (5) w8.1 w34
(6) 6.9 28.9
ClK(CH3OH)(H2O)x–H2O
xZ0 10.9G0.2 45.6G0.8 HP MS 1991EVA/KEE
1 10.4G0.2 43.5G0.8
ClK(CH3OH)2–H2O 7.7G0.7 32.2 HP MS 1991EVA/KEE
ClK(HCl)2–H2O 7.6 31.8 HP MS 1986KEE/CAS
ClK(HCl)(H2O)x–H2O
xZ0 10.5 43.9 HP MS 1986KEE/CAS
1 9.6 40.2
ClK(SO2)(H2O)x–H2O
xZ0 10.4 43.5 HP MS 1984UPS/SCH
1 9.3 38.9
ClK(SO2)2–H2O 9.9 41.4 HP MS 1984UPS/SCH
ClK–D2O 14.7G0.2 61.5G0.8 ICR 1988LAR/MCM
ClK–H2S 21 87.9 ICR 1988LAR/MCM

ClK–NH3 (1) 10.5 43.9 (1) ICR (1) 1984LAR/MCM

(2) 8.2 34.3 (2) HP MS (2) 1987EVA/KEE
ClK–BF3 26.0 109 ICR 1985LAR/MCM

–PF3 15.5 64.9
–AsF3 25.8 108
ClK–PF2Cl 23.7G2.2 99G9 CID 2003CHE/LOB
ClK–BCl3 69.0G2.0 288.7G8.4 MS 1977KRI/TIT
ClK–PCl3 21.5G1.7 90G7 CID 2002WAL/CHE

–AsCl3 27.5G1.7 115G7
–SbCl3 38.2G2 160G8
–BiCl3 36.6G3.6 153G15
ClK–AlCl3 76.7G2.9 32G12 MS 1992PER/KOR

–AlFCl2 75.3G2.9 315G12
–AlF2Cl 74.3G2.9 311G12
–AlF3 74.3G2.9 311G12
ClK(LaCl3)x–LaCl3
xZ0 68.6G3.6 287G15 MS 1987BUT/KUD
1 32.4G3.5 136G15
ClK(NdCl3)x–NdCl3
xZ0 69.1G3.8 289G16 MS 1998KHA/POG
1 55.0G2.2 230G9
ClK–SmCl3 69.1G3.8 289G16 MS 1998KHA/POG
ClK(EuCl3)–EuCl3 114G11 477G46 MS 1993KUD/BUR
ClK(TbCl3)x–TbCl3
xZ1 72.7G1.6 304.2G6.7 MS 1999KHA/KUD
2 89.4G2.5 374.0G10.5
(continued)
BDEs (boldfaceZ
recommended data;
3 93.3G2.3 390.4G9.6
4 87G12 364G42
5 76G20 318G84
ClK(ErCl3)x–ErCl3
xZ0 78.1G3.9 327G16 MS 2002POG/MOT
1 78G15 326G63
2 93G15 389G63
ClK–YbCl3 74.3G7.2 311G30 MS 1997KUZ/KUD
ClK(LuCl3)x–LuCl3
xZ0 71.0G3.6 297G15 MS 1997POG/KUD
1 49.5G2.4 207G10
2 57.8G7.6 242G32
3 75.3G5.3 315G22
4 45G19 188G79
5 95G23 397G96
ClK–H2O2 22.1 92.4 FA 1984BOH/FAH
ClK–OaSF2 17.1 71.5 ICR 1985LAR/MCM
ClK–OaSCl2 20.4G1.8 85.4G7.6 CID 2001BAC/HAY
ClK–OaSeCl2 35.9G2.4 150G10 CID 2003LOB/HAO
ClK–C(O)F2 12.5 52.3 ICR 1985LAR/MCM

–C(O)Cl2 12.5 52.3
ClK–OaPF3 13.9 58.2 ICR 1985LAR/MCM

ClK–OaPCl3 10.3G1.2 43G5 CID 2003CHE/LOB

–SaPCl3 9.8G1 41G4
ClK–SiF4 23.4 97.9 ICR 1985LAR/MCM
ClK–SiCl4 (1) 24.2 101 (1) ICR (1) 1985LAR/MCM

(2) 25.1G2 105G8 (2) CID (2) 2005HAO/KAS
ClK–GeCl4 33.7G1.4 141G6 CID 2005HAO/KAS

–SnCl4 56.2G2 235G8
ClK–ThCl4 24.2 101 ICR 1985LAR/MCM
ClK(CH4)x–CH4
xZ0 3.8G0.2 15.9G0.8 HP MS 2001HIR/MIZ
1 3.5G0.2 14.6G0.8
ClK–CHF3 16.7 69.9 ICR 1984LAR/MCM

–CH3F 11.5 48.1
–CHF2Cl 17.2 72.0
–CHFCl2 17.6 73.6
ClK–CBrF3 16.5G0.2 69.0G0.8 HP MS 2006BOG/MCM

–CIF3 23.6G0.2 98.7G0.8
ClK(CH3Cl)x–CH3Cl
xZ0 (1) 15.2 63.6 (1) HP MS (1) 1972YAM/KEB
(2) 12.2 51.0 (2) ICR (2) 1984LAR/MCM
(3) 10.4G1.0 43.5G4.2 (3) HP MS (3) 1996LI/ROS
(4) 11.7G0.2 49.0G0.8 (4) HP MS (4) 2001HIR/MIZ
1 (4) 11.1G0.2 46.4G0.8
2 (4) 8.4G0.2 35.1G0.8
3 (4) 7.6G0.2 31.8G0.8
4 (4) 6.2G0.2 25.9G0.8
5 (4) 5.8G0.2 24.3G0.8
6 (4) 4.8G0.2 20.1G0.8
7 (4) 4.7G0.2 19.7G0.8
(continued)
BDEs (boldfaceZ
recommended data;
ClK(CH2Cl2)x–CH2Cl2
xZ0 (1) 15.5 64.9 (1) HP MS (1) 1974DOU/DAL
(2) 15.8 66.1 (2) ICR (2) 1984LAR/MCM
(3) 14.8G0.2 61.9G0.8 (3) HP MS (3) 2001HIR/MIZ
1 (3) 13.1G0.2 54.8G0.8
2 (3) 9.7G0.2 40.6G0.8
3 (3) 9.0G0.2 37.7G0.8
4 (3) 7.7G0.2 32.2G0.8
ClK(CHCl3)x–CHCl3
xZ0 (1) 15.2 63.6 (1) HP MS (1) 1971YAM/KEB
(2) 19.1 79.9 (2) HP MS (2) 1974DOU/DAL
(3) 18.1 75.7 (3) ICR (3) 1984LAR/MCM
(4) 18.1 75.7 (4) KIM MS (4) 1993GIL/GRI
(5) 19.5G0.2 81.6G0.8 (5) HP MS (5) 2001HIR/MIZ
1 (5) 14.7G0.2 61.5G0.8
2 (5) 11.8G0.2 49.4G0.8
ClK(CCl4)x–CCl4
xZ0 13.4G0.2 56.1G0.8 HP MS 2001HIR/MIZ
1 9.3G0.2 38.9G0.8
ClK–CH3Br (1) 10.9 45.6 HP MS (1) 1974ROB/ROB

(2) 12.5G1.0 52.3G4.2 (2) 1996LI/ROS
ClK–CH3I 9.8 41.0 HP MS 1974DOU/ROB
ClK(CH3CN)x–CH3CN
xZ0 (1) 13.4 56.1 (1) HP MS (1) 1972YAM/KEB
(2) 14.4G0.2 60.2G0.8 (2) HP MS (2) 1985SIE
(3) 15.8 66.1 (3) ICR (3) 1984LAR/MCM
(4) 13.6 56.9 (4) Review (4) 1994HIR/YAM
(5) 16.8G0.4 70.3G1.7 (5) Derived (5) 1996MAR/PER
1 (1) 12.2 51.0
(4) 12.5 52.3
(5) 12.0G0.7 50.2G2.9
2 (1) 10.6 44.4

(4) 11.2 46.9
(5) 12.0G0.7 50.2G2.9
3 (1) 6.2 25.9
(4) 10.9 45.6
(5) 9.0G0.8 37.7G3.3
4 (4) 9.8 41.0
(5) 5.8G0.9 24.3G3.8
5 (4) 9.5 39.7
(5) 5.8G1 24.3G4.2
6 (4) 9.4 39.3
(5) 3.9G1.1 16.3G4.6
7 (4) w9.2 w39
(5) 2.8G1.2 11.7G5.0
8 (5) 4.4G1.4 18.4G5.9
9 (5) 2.1G1.5 8.8G6.3
10 (5) 1.8G1.6 7.5G6.7
11 (5) K0.5G1.7 K2.1G7.1
12 (5) 0.9G1.8 2.4G7.5
13 (5) K0.5G1.9 K2.1G7.5
ClK(iso-PrCl)–CH3CN 11.7 49.0 HP MS 2006BOG/MCM
ClK(iso-PrBr)–CH3CN 13.9 58.2 HP MS 2006BOG/MCM
ClK(CH3OH)x–CH3OH
xZ0 (1) 16.8 70.3 (1) ICR (1) 1984LAR/MCM
(2) 17.4 72.8 (2) HP MS (2) 1987HIR/MIZ
(3) 17.1G0.1 71.5G0.4 (3) HP MS (3) 1991EVE/KEE
(4) 18.7G0.5 78.2G2.1 (4) Photodetach. (4) 1997YAN/LIN
(5) 17.5G0.3 73.2G1.3 (5) HP MS (5) 1999BOG/PES
1 (2) 14.1 59.0
(3) 13.7G0.2 57.3G0.8
(5) 14.1G0.4 59.0G1.7
(6) 13.0 54.4 (6) HP MS (6) 1973YAM/PAY
2 (2) 11.8 49.4
(3) 10.8G0.3 45.2G1.3
(5) 11.5G0.2 48.1G0.8
(6) 12.3 51.5
3 (2) 10.5 43.9
(6) 11.2 46.9
4 (2) 9.2 38.5
(6) 10.5 43.9
5 (2) 8.9 37.2
6 (2) 8.0 33.5
7 (2) 7.6 31.8
8 (2) 7.6 31.8
(continued)
BDEs (boldfaceZ
recommended data;
9 (2) 7.4 31.0

10 (2) 7.3 30.5
ClK(CH3OH)(H2O)x–
CH3OH
xZ0 13.2G0.1 55.2G0.4 HP MS 1991EVA/KEE
1 10.8G0.8 45.2G3.3
ClK(H2O)2–CH3OH 11.4G0.3 47.7G1.3 HP MS 1991EVA/KEE
ClK(iso-PrCl)–CH3OH 14.6 61.1 HP MS 2006BOG/MCM
ClK(iso-PrBr)–CH3OH 14.8 61.9 HP MS 2006BOG/MCM
ClK–CH3SH 15.5G3.0 64.9G13.8 FT-ICR 1995STA/GRO
ClK(HC(O)OH)x–
HC(O)OH
xZ0 (1) 37.2 155.6 (1) HP MS (1) 1971YAM/KEB
(2) 27.4 114.6 (2) HP MS (2) 1982FRE/IKU
(3) 25.6 107.1 (3) ICR (3) 1984LAR/MCM
(4) 27.7G2.2 116G9 (4) CID (4) 1999WAL/SUN
1 (4) 11.2G2.2 47G9
(5) 34.1G3.1 142.7G13 (5) HP MS (5) 1978LUC/WLO
2 (5) 22.2G2.7 92.9G11.3
3 (3) 14.1 59.0
(5) 14.1G2.2 59.0G9.2
4 (3) 10.1
(5) 10.1G2.0 42.3G8.4
ClK(CH3NO2)x–CH3NO2
xZ0 (1) 16.7G0.1 69.9G0.4 HP MS (1) 1985SIE
(2) 15.6G0.6 65.3G2.5 (2) 2003WIN
1 (1) 13.1 54.8
(2) 13.0G0.5 54.4G2.1
2 (2) 11.1G0.5 46.4G2.1

3 (2) 9.6G1 40.2G4
ClK–2CH3NO2 13.1G0.1 54.8G0.4 HP MS 1985SIE
ClK(C2H4)x–C2H4
xZ0 (1) 5.4G0.3 22.6G1.3 (1) HP MS (1) 2001HIR/KAT
1 (1) 5.3G0.3 22.2G1.3
2 (1) 4.9G0.3 20.5G1.3
3 (1) 4.9G0.3 20.5G1.3
4 (1) 4.4G0.3 18.4G1.3
5 (1) 4.3G0.3 18.0G1.3
6 (1) 4.2G0.3 17.6G1.3
ClK–HCCN 43.7G2.5 183G10.5 CID 2002POU/UPS
ClK–CF3CF2H 18.8 78.7 ICR 1984LAR/MCM

–CF2HCH2F w18.9 w79
–CF3CHF2 18.8 78.7
ClK–CH3CHF2 (1) 14.9 62.3 (1) ICR (1) 1984LAR/MCM

(2) 12.8 53.6 (2) HP MS (2) 2005BOG/MCM
ClK(iso-PrCl)–CH3CHF2 10.9 45.6 HP MS 2006BOG/MCM
ClK(iso-PrBr)–CH3CHF2 12.4 51.9 HP MS 2006BOG/MCM
ClK–CH3CH2Cl (1) 14.5G4.5 61G119 (1) ICR (1) 1973RIV/BRE

(2) 12.4G1.0 51.9G4.2 (2) HP MS (2) 1996LI/ROS
–CH3CH2Br (2) 13.6G1.0 56.9G4.2
ClK(C2H5OH)x–C2H5OH
xZ0 (1) 17.3 72.4 (1) ICR (1) 1984LAR/MCM
(2) 17.6 73.6 (2) HP MS (2) 1987HIR/MIZ
(3) 17.9G0.4 74.9G1.7 (3) HP MS (3) 1999BOG/PES
1 (2) 16.1 67.4
(3) 15.3G0.2 64.0G0.8
(continued)
BDEs (boldfaceZ
recommended data;
2 (2) 12.8 53.6

(3) 13.9G0.7 58.2G2.9
3 (2) 12.0 50.2
4 (2) 11.5 48.1
5 (2) 11.1 46.4
6 (2) 9.8 41.0
7 (2) 9.2 38.5
8 (2) 9.0 37.7
9 (2) w8.9 w37
ClK–CF3CH2OH 24.0 100 ICR 1984LAR/MCM

–CH2FCH2OH 20.5 86
–CHF2CH2OH 24.0 100
–CH2ClCH2OH 21.5 90
ClK–OHCH2CH2OH 25.3G1.0 105.9G4.2 HP MS 1995ZHA/BEG

–OHCH2CH2CH2OH 28.3G1.7 118.4G7.1
–OHCH2CH2CH2CH2OH 30.2G1.7 126.4G7.1
ClK–CH3OCH3 7.5G0.2 31.4G0.8 HP MS 2001BOG/LEE

–CHF2OCF3 17.5G0.2 73.2G0.8
ClK(CH3OCF3)x–CH3OCF3
xZ0 13.6G0.2 56.9G0.8 HP MS 2001BOG/LEE
1 12.7G0.2 53.1G0.8
ClK(CHF2OCHF2)x–
CHF2OCHF2
xZ0 28.2G0.2 118.0G0.8 HP MS 2001BOG/LEE
1 21.4G0.2 89.5G0.8
ClK–CH3C(O)H 14.4 60.2 ICR 1984LAR/MCM
ClK–CF3C(O)F 16.7 69.9 ICR 1985LAR/MCM

–CF3C(O)Cl 17.8 74.5
ClK–CH3C(O)OH (1) 21.6 90.4 (1) HP MS (1) 1971YAM/KEB

(2) 23.9 100.0 (2) ICR (2) 1984LAR/MCM
(3) 24.4G0.2 102.1G0.8 (3) HP MS (3) 1985SIE
ClK–CH3OCOCl 14.1 59.0 ICR 1985LAR/MCM
ClK((CH3)2SO)x–(CH3)2SO
xZ0 (1) 18.6 77.8 (1) HP MS (1) 1984MAG/CAL
1 (2) 16.0 66.9 (2) HP MS (2) 1985SIE
2 (2) 14.9 62.3
3 (2) 14.6 61.1
4 (2) 13.8 57.7
ClK–CF3CH2NH2 w18.0 w75.3 ICR 1984LAR/MCM
ClK(C3F6)x–C3F6
xZ0 12.6G0.3 52.7G1.3 HP MS 2002HIR/TAK
1 9.6G0.3 40.2G1.3
2 8.9G0.3 37.2G1.3
ClK(C3H6)x–C3H6
xZ0 (1) 5.9G0.3 24.7G1.3 (1) HP MS (1) 2001HIR/KAT
1 (1) 5.8G0.3 24.3G1.3
2 (1) 5.2G0.3 21.8G1.3
3 (1) 4.6G0.3 19.2G1.3
4 (1) 4.5G0.3 18.8G1.3
5 (1) 4.4G0.3 18.4G1.3
6 (1) 4.3G0.3 18.0G1.3
ClK–CH3CH2CH2Br 14.2G1.0 59.4G4.2 HP MS 1996LI/ROS
ClK–(CH3)2CHCl 14.7G1.0 61.5G4.2 HP MS 1996LI/ROS
ClK(M)–(CH3)2CHCl
MZCH3OH 11.0 46.0 HP MS 2005BOG/MCM
CH3CN 11.0 46.0
CH3CHF2 11.3 47.3
CH3C(O)CH3 11.7 49.0
(continued)
BDEs (boldfaceZ
recommended data;
ClK–(CH3)2CHBr 15.2G1.0 63.6G4.2 HP MS 1996LI/ROS
ClK(M)–(CH3)2CHBr
CH3CN 12.3 51.5
CH3CHF2 11.9 49.8
CH3C(O)CH3 11.9 49.8
ClK(n-C3H7OH)x–n-
C3H7OH
xZ0 (1) 17.7 74.1 (1) ICR (1) 1984LAR/MCM
(2) 20.4 85.4 (2) HP MS (2) 1994HIR/YAM
1 (2) 15.8 66.1
2 (2) 14.2 59.4
3 (2) 13.3 55.6
4 (2) 12.6 52.7
5 (2) 11.6 48.5
6 (2) 11.0 46.0
7 (2) w10.8 w45
N (3) 10.6 w44 (3) Extrapolate (3) This volume
ClK(i-C3H7OH)x–i-C3H7OH
xZ0 (1) 17.6 73.6 (1) ICR (1) 1984LAR/MCM
(2) 18.3 76.6 (2) HP MS (2) 1987HIR/MIZ
(3) 19.4G0.2 81.2G0.8 (3) HP MS (3) 1999BOG/PES
1 (2) 15.6 65.3
(3) 16.7G0.3 69.9G1.3
2 (2) 12.5 52.3
(3) 14.9G0.5 62.3G2.1
3 (2) 11.9 49.8
4 (2) 11.6 48.5
5 (2) 11.3 47.3
6 (2) 11.1 46.4
7 (2) w10.9 w46
ClK–(CH2F)2CHOH w23.6 w99 ICR 1984LAR/MCM

–(CF3)2CHOH O26.5 O111
ClK(MeC(O)Me)x–
MeC(O)Me
xZ0 (1) 13.7 57.3 (1) HP MS (1) 1982FRE/IKU
(2) 14.1 59.0 (2) ICR (2) 1984LAR/MCM
(3) 12.4 51.9 (3) Review (3) 1994HIR/YAM
(4) 14.1 59.0 (4) HP MS (4) 2002BOG/MCM
1 (3) 11.5 48.1
2 (3) w10.4 w43.5
ClK(iso-PrCl)–MeC(O)Me 10.5 43.9 HP MS 2006BOG/MCM
ClK(iso-PrBr)–MeC(O)Me 11.9 49.8 HP MS 2006BOG/MCM
ClK–CH3C(O)CH2F (1) 18.4 77 (1) HP MS (1) 2002BOG/MCM

–CH3C(O)CF3 (1) 13.7 57.3
–CF3C(O)CHF2 (1) 26.1 109.2
(2) 23.4 97.9 (2) ICR (2) 1984LAR/MCM
–CF3C(O)CF3 (1) 28.8 120.5
(3) 22.9 95.8 (3) ICR (3) 1985LAR/MCM
ClK–(CH2F)2HC(O)H 23.6 98.7 ICR 1984LAR/MCM
ClK–(CH3)3CF (1) 13.3 55.6 (1) ICR (1) 1984LAR/MCM

–(CH3)3CCl (1) 14.3 59.8
(2) 16.6G1.0 69.5G4.2 (2) HP MS (2) 1996LI/ROS
–(CH3)3CBr (2) 17.7G1.0 74.1G4.2
ClK–Si(CH3)3Cl 14.3G1.4 60G6 CID 2005HAO/KAS

–Ge(CH3)3Cl 22.2G1.4 93G6
–Sn(CH3)3Cl 31.3G1.7 131G7
ClK–n-C4H9OH 17.6G2.0 73.6 ICR 1984LAR/MCM
ClK(t-C4H9OH)x–t-
C4H9OH
xZ0 (1) 19.2 80.3 (1) HP MS (1) 1977KEB
(2) 18.1 75.7 (2) ICR (2) 1984LAR/MCM
(3) 19.5 81.6 (3) HP MS (3) 1985SIE
(4) 19.8 82.8 (4) HP MS (4) 1987HIR/MIZ
(5) 20.2G0.4 84.5G1.7 (5) HP MS (5) 1999BOG/PES
(continued)
BDEs (boldfaceZ
recommended data;
1 (4) 14.9 62.3

(5) 16.9G0.2 70.7G0.8
2 (4) 13.7 57.3
(5) 15.8G0.3 66.1G1.3
3 (4) 12.7 53.1
4 (4) 11.9 49.8
5 (4) w11.4 w48
ClK–OHCH2Cb 28.9G1.1 120.9G4.6 HP MS 1995ZHA/BEG

CCH2OH(trans)
–OHCH2Ca 32.9G1.5 137.7G6.2
CCH2OH(cis)
ClK–CH3C(O)C2H5 14.8 61.9 ICR 1984LAR/MCM

–(CF3)2CH3C(O)H O26.5 O111
–(CH3)3CC(O)H 15.0 62.8
ClK–B(C2H5)3 23.8G2.0 99.6G8.4 ICR 1984LAR/MCM(c)
ClK–t-C4H9CN 18.5G1.0 77.4G4.2 HP MS 1996LI/ROS
ClK–C2H5OC2H5 9.0G0.2 37.7G0.8 HP MS 2001BOG/LEE
ClK–C2H5C(O)C2H5 14.1 59.0 ICR 1984LAR/MCM
ClK(C5F8)x–(C5F8)
xZ0 13.8G0.2 57.7G0.8 MS 2005HIR/FUJ
1 11.0G0.2 46.0G0.8
ClK–cyclo-C5H10 7.4G0.2 31.0G0.8 HP MS 2001MCM

–cyclo-C5H10 7.9G0.2 33.1G0.8

–cyclo-C6H14 9.5G0.2 39.7G0.8

–cyclo-C7H16 10.3G0.2 43.1G0.8

–cyclo-C8H18 11.0G0.2 46.0G0.8
ClK–DMNB 22.0G0.7 92.1G3.1 IMS 2001LAW/NEU

–DNB 26.1 109
–DMDNP 22.9 96
DMNBZ2,3-dimethyl-2,3-
dinitrobutane
DNBZ1,4-dinitrobutane
DMDNPZ2,3-dimethyl-2,4-
dinitropentane
(Cl)K(AcAlaNH)x–
AcAlaNH
xZ0 29.4 123 HP MS 1988MEO(c)
1 19.8 82.8
AcZCH3CO
AlaZNHCH(CH3)CO
ClK–cyclo-C6H4 (1) 15.7G3.0 65.7G12.6 (1) CID (1) 1991WEN/PAU

(2) 16.7G3.7 69.9G15.5 (2) CID (2) 1995WEN/SQU(b)
(3) 17.5G3.9 73.2G16.3 (3) FT-ICR (3) AND/RIV
ClK–C6H6 (1) 10.4 43.5 (1) HP MS (1) 1981SUN/NIS

(2) 9.9 41.4 (2) ICR (2) 1984LAR/MCM
(3) 9.4 39.3 (3) HP MS (3) 1988HIR/MIZ
(4) 8.7 36.4 (4) HP MS (4) 1991PAU/KEB
ClK–methyl, 1,2- 20.1G1.6 84.1G6.7 CID 2000HAM/WEN

phenylenebis
ClK–C6H5Cl (1) 13.6 56.9 (1) ICR (1) 1984LAR/MCM

(2) 12.0G0.1 50.2G0.4 (2) HP MS (2) 1985SIE
(3) 12.6 52.7 (3) HP MS (3) 1991PAU/KEB
(continued)
BDEs (boldfaceZ
recommended data;
ClK–C6H5OH (1) 19.4 81.2 HP MS (1) 1971YAM/KEB

(2) 27.4 114.6 (2) 1977KEB
(3) 25.0 104.6 (3) 1982FRE/IKU
(4) 26.5 110.9 (4) 1990PAU/KEB
ClK–C6H5CN 16.0 66.9 HP MS 1991PAU/KEB
ClK–o-C6H4F2 14.3 59.8 ICR 1984LAR/MCM

–m-C6H4F2 14.6 61.1
–p-C6H4F2 13.8 57.7
ClK–1,2-C6H4F2 14.3G2 59.8G8 ICR 1984LAR/MCM

–1,3-C6H4F2 14.6G2 61.1G8
–1,4-C6H4F2 13.8G2 57.7G8
ClK(C6F6)x–C6F6
xZ0 (1) 16.8G1.0 70.3G4.2 HP MS (1) 1986CHO/KEB
(2) 15.5G1.0 64.9G4.2 (2) 1987HIR/MIZ
1 (2) 13.8 57.7
ClK–4-F–C6H4OH (1) 27.9G2.0 116.7G8.4 HP MS (1) 1977CUM/FRE

(2) 26.9 112.5 (2) 1982FRE/IKU
(3) 28.6 119.7 (3) 1990PAU/KEB
–4-Cl–C6H4OH (1) 29.6G2.0 123.8G8.4
(2) 28.9 120.9
(3) 30.1 125.9
–4-CN–C6H4OH (1) 35.1G2.0 146.9G8.4
(2) 33.6 140.6
(3) 35.3 147.7
–4-CH3–C6H4OH (1) 25.6G2.0 107.1G8.4
(2) 24.6 102.9
(3) 25.9 108.4
ClK–3-CH2C6H4CD2 20.1G1.6 84.1G6.7 CID 2000HAM/WEN

–3-CH3C6H4CD2 39.2G1.8 164.0G7.5
ClK–C6H5NO2 (1) 16.3G1.0 68.2G4.2 HP MS (1) 1986CHO/KEB

(2) 16.5 69.0 (2) 1991PAU/KEB
ClK–C6HF4NO2 27.0 113.0 HP MS 1986CHO/KEB

–4-CN–C6H4NO2 20.0 83.7
–3-CF3–C6H4NO2 19.5 81.6
–C6F5CN 19.9 83.3
–3-F–C6H4NO2 18.7 78.2
ClK(C5H5N)x–C5H5N
xZ0 12.7 53.1 HP MS 1988HIR/MIZ
1 11.7 49.0
ClK–p-benzoquinone, 27.0G1.0 113.0G4.2 HP MS 1986CHO/KEB

2,3,5,6-tetrafluoro
ClK–pyrrole 18.8G2.0 78.7G8.2 ICR 1984LAR/MCM
ClK–Fe(CO)5 13.9G3.0 58.2G12.6 Ion reactions 1985LAN/SAL
ClK–L
LZmonopentadecanoin 38.0G1.2 159.2G4.8 ES/MS/MS 2005HAM/COL
dimer
1,3-dipentadecanoin 37.6G5.3 157.3G22.2
dimmer
1-stearin-2-palmitin 29.1G0.7 121.6G2.9
glycerol dimmer
27.3 BrK, BrC–, and BrK–X bonds

27.3.1 Br–X bonds
Table 27.3.1 BDEs of Br–X Bonds
BDEs (boldfaceZ
recommended data;
Br–Br (1) 46.333 193.857 Spectroscopy (1) 1979HUB/HER

(2) 46.333G0.029 193.859G0.120 (2) 2000FOC/LI
(continued)
Table 27.3.1 (continued) BDEs of Br–X Bonds
BDEs (boldfaceZ
recommended data;
Br2–Br 3 13 Est. by exp. 1989KAW/SAT
Br2–He 0.05, at 0 K 0.20 Spectroscopy 1994JAH/CLE
Br2–He, linear 0.049G0.02, 0.203G0.10 LIF 2005BOU/STR

at 0 K
Br2–He, T-shaped 0.047G0.02 0.199G0.10
Br2–Ne (1) 0.20, at 0 K 0.84 Spectroscopy (1) 1985THO/EVA

(2) 0.20 0.84 (2) 1997SAT/STE
Br–Ar w1.2 w5.0 Spectroscopy 1994ZHA/YOU
HBr–Ar 0.37, at 0 K 1.56 IR 2005WAN/MCI
Br–Xe 1.42G0.01 5.94G0.02 Spectroscopy 1995CLY/TEL
Br–F (1) 60.6 253.5 Spectroscopy (1) 1976CLY/CUR

(2) 66.9G2.8 280G12 (2) 1990JEY/RAJ
Br–Cl (1) 52.0G0.1 217.5G0.3 Spectroscopy (1) 1979CLY/MCD

(2) 52.42G0.01 219.32G0.05 (2) 1995TEL
Br–I 42.8G0.1 179.1G0.4 Spectroscopy 1991RAJ/PAL
79
Br–I 42.8145G0.0005 179.1359G0.0023 PD 2000WRE/LAU
81
Br–I 42.8168G0.0014 179.1453G0.0060
Br–H (1) 87.56 366.35 (1) Spectroscopy (1) 1979HUB/HER

(2) 85.1G0.7 355.9G2.9 (2) PD (2) 1985NEE/SUT
(3) 87.51G0.05 366.16G0.20 (3) Derived from (3) 2004SHE/YUN
DfH0 from ref.
Br–D 88.61 370.74 Spectroscopy 1979HUB/HER

–T 89.09 372.77
Br–BrF 70.2 293.7 Derived from DfH0 1996NIST

from ref.
–BrCl 32.7 136.8
Br–CH3SCH3 12G1 50.2G4.2 Spectroscopy 2001NAK/GOT
27.3.2 BrC–X bonds

Table 27.3.2 BDEs of BrD–X Bonds
BDEs (boldfaceZ
recommended data;
BrC–Br (1) 76.21G0.07 318.88G0.23 (1) Derived from IP (1) 1996NIST

in ref.
(2) 76.209G0.006 318.858G0.024 (2) REMPI (2) 2003BEC/GRE
BrC–F (1) 60.2 251.8 (1) Derived (1) 1979HUB/HER

(2) 65.9G3 275.5G12.6 (2) Derived from IP (2) 1996NIST
in ref.
BrC–Cl (1) 71.0G2.3 296.9G9.6 (1) Derived from IP (1) 1996NIST

in ref.
(2) 72.418G0.011 303.000G0.048 (2) Photofrag. (2) 2004NAH/VIE
BrC–H (1) 90.67G0.07 379.36G0.29 (1) Review (1) 1974GUR/KAR

in ref.
(continued)
Table 27.3.2 (continued) BDEs of BrC–X Bonds
BDEs (boldfaceZ
recommended data;
BrC–C 107.9G2.1 451.5G8.6 Derived from IP 1996NIST

in ref.
BrC–O 87.4G0.7 365.7G3.1 Derived from IP 1996NIST

in ref.
HBrC–HBr 23 96 PI 1979TIE/AND
27.3.3 BrK–X bonds

Table 27.3.3 BDEs of BrL–X Bonds
BDEs (boldfaceZ
recommended data;
BrK–Br (1) 20.6G1.0 86.2G4.2 (1) Derived (1) 1974GUR/KAR

EA in ref.
BrK–F 55G5 230G21 Derived 1974GUR/KAR

–Cl 68G5 285G21
BrK–I 26.3G2.4 110G10 Derived 2004ANG/ERV
BrK–Li 37.8G1.4 158.0G5.7 Derived from EA 1996NIST

in ref.
BrK–Na 27.4G0.7 114.8G2.9 PES 1986MIL/LEO

–K 27.2G0.7 113.8G2.9
–Rb 26.6G1.0 111.3G4.2
–Cs 29.8G1.0 124.7G4.2
BrK–Pb 2.6G5 10.8G21 Derived from EA 1996NIST

in ref.
BrK–Ar (1) 1.36 5.7 (1) MS (1) 1986KEE/CAS

(2) 0.8 3.3 (2) PES (2) 1994ZHA/YOU
BrK–Kr (1) 2.01 8.4 (1) MS (1) 1986KEE/CAS

(2) 1.10G0.1 4.6G0.4 (2) Laser PES (2) 1998YOU/LEN
BrK–Xe (1) 3.35 14.0 (1) MS (1) 1986KEE/CAS

(2) 2.9G0.1 12.1G0.4 (2) Laser PES (2) 1998YOU/LEN
BrK–O 32.7G0.7 136.9G2.9 Derived 1992GIL/POL
BrK–H2 1.04, at 0 K 4.37 Photofrag. 2003WIL/LOH
BrK–BrCl O60 O251 PD 1979LEE/SMI
BrK–BrI 19.9 83.3 Derived 1977FIN/GAT
BrK(Br2)x–Br2
xZ0 (1) 26.5 111.0 (1) Derived (1) 1979HUB/HER
(2) 30.4G1.7 127G7.1 (2) CID (2) 1998NIZ/POM
1 (2) 9.6G1.7 40G7
BrK–D2(para) 1.04, at 0 K 4.35 IR 2001WIL/WEI(b)

–D2(ortho) 1.20 5.00
BrK–HF 17.0G2.0 71.1G8.4 NICI 1989CAL/MAS
BrK(HCl)x–HCl
xZ0 19.6 82.0 HP MS 1985CAL/KEB
1 12.5 52.3
(continued)
Table 27.3.3 (continued) BDEs of BrK–X Bonds
BDEs (boldfaceZ
recommended data;
BrK(SO2)–HCl 22.4 93.7 HP MS 1985CAL/KEB
BrK(HBr)x–HBr
xZ0 20.6 86.2 HP MS 1985CAL/KEB
1 11.0 46.0
BrK(SO2)–HBr 12.2 51.0 HP MS 1985CAL/KEB
BrK(NO)x–NO
1 w5.1 w21.3
BrK(HCN)x–HCN
xZ0 (1) 19.4 81.2 (1) HP MS (1) 1988MEO/CYB
1 (1) 16.3 68.2
2 (1) 12.8 53.6
3 (1) 10.4 43.5
4 (1) 8.1 33.9
BrK(SO2)x–SO2
xZ0 19.3G2.0 80.8G8.4 HP MS 1985CAL/KEB
1 11.2 46.9
2 8.5 35.6
BrK(HCl)–SO2 12.1 50.6 HP MS 1985CAL/KEB
BrK(HBr)–SO2 10.9 45.6 HP MS 1985CAL/KEB
BrK(CO2)x–CO2
xZ0 (1) 6.7 28 (1) HP MS (1) 1987HIR/MIZ(b)
(2) 5.3G2.0 22.2G8.4 (2) PD (2) 1995ARN/BRA
1 (1) 6.0 25.1

(2) 5.1G2.0 21.3G8.4
2 (2) 5.1G2.0 21.3G8.4
3 (2) 5.2G2.0 21.8G8.4
4 (2) 4.2G2.0 17.6G8.4
5 (2) 4.0G2.0 16.7G8.4
6 (2) 3.6G2.0 15.1G8.4
7 (2) 3.7G2.0 15.5G8.4
8 (2) 1.8G2.0 7.5G8.4
9 (2) 1.8G2.0 7.5G8.4
10 (2) 0.5G2.0 2.1G8.4
BrK(N2O)x–N2O
xZ0 (1) 5.57G0.3 23.3G1.3 (1) HP MS (1) 1993HIR/ARU
1 (1) 5.39G0.3 22.6G1.3
2 (1) 4.97G0.3 20.8G1.3
N (2) w4 w 17 (2) Extrapolate (2) This volume
BrK(CS2)x–CS2
xZ0 (1) 8.3G0.2 34.7G0.8 (1) HP MS (1) 1993HIR/FUJ
1 (1) 7.3G0.2 30.5G0.8
BrK(SCO)x–SCO
xZ0 (1) 9.6G0.3 40.2G1.3 (1) HP MS (1) 2004HIR/FUJ
1 (1) 8.1G0.3 33.9G1.3
2 (1) 7.2G0.3 30.1G1.3
3 (1) w6.8 w28
BrK–SeBr2 26.1G1.4 109G6 CID 2003LOB/HAO
BrK(H2O)x–H2O
xZ0 (1) 12.6 52.7 (1) HP MS (1) 1970ARS/YAM
(2) 12.9 54 (2) MS (2) 1982BUR/HAY
(3) 11.7G0.4 49.0G1.7 (3) HP MS (3) 1988HIR/MIZ
(4) 12.7 53.1 (4) NICI (4) 1989CAL/MAS
(5) 12.2 51.0 (5) ICR (5) 1996TAN/MOR
1 (1) 12.3 51.5
(3) 11.6G0.3 48.5G1.3
(6) 12.2 51.0 (6) PES (6) 1994MAR/POL
(continued)
BDEs (boldfaceZ
recommended data;
2 (1) 11.5 48.1

(3) 11.4G0.3 47.7G1.3
(6) 10.8 45.3
3 (1) 10.9 45.6
(3) 11.0G0.2 46.0G0.8
(6) 6.9 28.9
4 (3) 10.8G0.3 45.2G1.3
(4) 6.2 26.0
5 (2) 10.3G0.5 43.1G2.1
(4) 6.2 26.0
6 (2) w10.0 w42
(4) 2.5G2.3 10.5G9.6
(6) 6.0 25.1
H2 BrOK
4 –H2 O 12.0G1.5 50.2G6.3 HP MS 1995BLA/KLA
BrK–CH2 (1) 24.4G6.4 102G27 (1) FT-ICR (1) 1985ING/NIB

(2) 21.1G1.6 88.3G6.7 (2) CID (2) 1997POU/NAS
BrK–CF3 12.5G4.6 52.1G19.3 Derived 1978COM/REI(b)
BrK–NH3 7.7 32.2 HP MS 1986KEE/CAS
BrK–PBr3 15.5G1.4 65G6 CID 2002HEI/CHE
BrK(HONO2)x–HONO2
xZ0 20.0 83.7 FA 1977DAV/FEH
1 18.1 75.7
BrK–CH4 3.1G0.2 13.0G0.8 HP MS 2001HIR/MIZ

BrK–CBrF3 13.9G0.2 58.2G0.8 HP MS 2006BOG/MCM
BrK–CBr2F2 21.0G1.2 88G5 Derived 2006BOG/MCM
BrK–CHCl3 15.8 66.1 KIM MS 1993GIL/GRI

–CH3Cl 10.9G1.0 45.6G4.2 HP MS 1996LI/ROS
BrK–CH3Br (1) 9.2 38.5 HP MS (1) 1974DOU/ROB

(2) 11.2G1.0 46.9G4.2 (2) 1996LI/ROS
BrK(CH3COH)x–CH3OH
xZ0 (1) 13.9 58.2 (1) HP MS (1) 1991HIR/YAM(b)
(3) 14.5G0.1 60.7G0.4 (3) HP MS (3) 1999BOG/PES
1 (1) 12.5 52.3
(3) 12.0G0.2 50.2G0.8
2 (1) 10.6 44.4
(3) 9.5G0.5 39.7G2.1
3 (1) 9.9 41.4
4 (1) 9.8 41.0
5 (1) 9.1 38.1
6 (1) 8.5 35.6
7 (1) 8.4 35.1
8 (1) 8.2 34.3
9 (1) w8 w36
BrK(iso-PrCl)–CH3OH 12.4 51.9 HP MS 2005BOG/MCM
BrK(CH3CN)x–CH3CN
xZ0 (1) 12.9 54.0 (1) HP MS (1) 1972YAM/KEB
(2) 12.7 53.1 (2) ICR (2) 1996TAN/MOR
(3) 12.1G0.4 50.6G1.7 (3) PES (3) 1996MAR/PER
(4) 14.3G1.0 59.8G4.2 (4) HP MS (4) 1996LI/ROS
1 (1) 11.8 49.4
(3) 11.5G0.7 48.1G2.9
2 (1) 10.0 41.8
(2) 10.4G0.7 43.5G2.9
(6) 9.2G0.4 38.5G1.7 (6) HP MS (6) 1988HIR/MIZ
(continued)
BDEs (boldfaceZ
recommended data;
3 (1) 5.5 23.0

(3) 8.5G0.8 35.6G3.3
(6) 8.7G0.3 36.4G1.3
4 (3) 5.8G0.9 24.3G3.8
(6) 8.5G0.3 35.6G1.3
5 (3) 5.6G1.0 23.5G4.2
(6) 8.0G0.2 33.5G0.8
6 (3) 3.0G1.1 12.6G4.6
(6) 7.7G0.3 32.2G1.3
BrK(iso-PrCl)–CH3CN 12.0 50.2 HP MS 2005BOG/MCM
BrK–CH3NO2 9.6G2.0 40.2G8.4 FT-ICR 1996TAN/MOR
BrK(HC(O)OH)x–
HC(O)OH
xZ0 17.2G1.7 72G7 CID 1999WAL/SUN
1 9.6G1.7 40G7
BrK–HCCH 8.6 36.0 Laser PES 2000WIL/MIL
BrK(C2H4)x–C2H4
xZ0 (1) 4.7G0.3 19.7G1.3 (1) HP MS (1) 2001HIR/KAT
1 (1) 4.2G0.3 17.6G1.3
2 (1) 3.8G0.3 15.9G1.3
3 (1) 3.5G0.3 14.6G1.3
BrK–C2H5Cl (1) 11.2G1.0 46.9G4.2 HP MS (1) 1996LI/ROS

–C2H5Br (1) 12.0G1.0 50.2G4.2
(2) 11.6 48.5 (2) 1974DOU
BrK–CH3CHF2 10.6 44.4 HP MS 2005BOG/MCM
BrK(iso-PrCl)–CH3CHF2 10.2 42.7 HP MS 2005BOG/MCM
BrK–C2H5OH
xZ0 (1) 14.4 60.2 (1) ICR (1) 1996TAN/MOR
(3) 14.1G0.2 59.0G0.8 (3) HP MS (3) 1999BOG/PES
1 (3) 11.5G0.6 48.1G2.5
2 (3) 9.5G0.3 39.7G1.3
BrK–C2H5NO2 14.6 61.1 ICR 1996TAN/MOR
BrK(Me2SO)x–Me2SO
xZ0 (1) 17.3 72.4 (1) HP MS (1) 1984MAG/CAL
1 (1) 14.5 60.7
2 (1) 13.6 56.9
BrK(C3H6)x–C3H6
xZ0 (1) 5.5G0.3 23.0G1.3 (1) HP MS (1) 2001HIR/KAT
1 (1) 5.1G0.3 21.3G1.3
2 (1) 4.8G0.3 20.1G1.3
3 (1) 4.7G0.3 19.7G1.3
4 (1) 4.5G0.3 18.8G1.3
5 (1) 4.4G0.3 18.4G1.3
BrK(C3F6)x–C3F6
xZ0 9.9G0.3 41.4G1.3 HP MS 2002HIR/TAK
1 8.3G0.3 34.7G1.3
BrK–n-C3H7Cl 12.1G1.0 50.6G4.2 HP MS 1996LI/ROS
BrK–i-C3H7Cl 12.4G1.0 51.9G4.2 HP MS 1996LI/ROS
(continued)
BDEs (boldfaceZ
recommended data;
BrK(M)–i-C3H7Cl
CH3CN 9.9 41.4
CH3CHF2 10.4 43.5
CH3C(O)CH3 10.4 43.5
BrK–n-C3H7Br (1) 11.6 48.5 HP MS (1) 1974DOU

–i-C3H7Br (1) 12.2 51.0 (2) 1996LI/ROS
(2) 14.2G1.0 59.4G4.2
BrK–n-C3H7OH 16.7G0.4 69.9G1.7 Photodetach. 1997YAN/LIN
BrK(L)x–L, LZi-C3H7OH
xZ0 (1) 14.6 61.1 (1) ICR (1) 1996TAN/MOR
(3) 14.4G0.2 60.2G0.8 (3) HP MS (3) 1999BOG/PES
1 (3) 12.3G0.3 51.5G1.3
2 (3) 11.5G0.8 48.1G3.3
BrK–CH3C(O)CH3 11.2 46.9 HP MS 2005BOG/MCM
BrK(iso-PrCl)– 10.7 44.8 HP MS 2005BOG/MCM

CH3C(O)CH3
BrK–t-C4H9Cl 13.9G1.0 58.2G4.2 HP MS 1996LI/ROS
BrK–t-C4H9Br (1) 12.4 51.9 HP MS (1) 1974DOU

(2) 15.6G1.0 65.3G4.2 (2) 1996LI/ROS
–i-C4H9Br (1) 12.9 54.0
–t-C5H11Br (1) 14.4 60.2
BrK(L)x–L, LZt-C4H9OH
xZ0 (1) 15.8G0.2 66.1G0.8 (1) HP MS (1) 1999BOG/PES
1 (1) 12.9G0.4 54.0G1.7
2 (1) 11.6G0.5 48.5G2.1
BrK–C5F8 12.7G0.3 53.1G1.3 MS 2005HIR/FUJ
BrK–C6H6 (1) 8.5G1.0 35.6G4.2 HP MS (1) 1991PAU/KEB

(2) 9.0 37.7 (2) 1994HIR/YAM
BrK(C6F6)x–C6F6
xZ0 13.9 58.2 HP MS 1987HIR/MIZ
1 12.2 51.0
BrK–C6H5F 10.6G1.6 44.4G6.7 HP MS 1991PAU/KEB

–C6H5Cl 11.1G1.8 46.4G7.5
BrK–C6H5CH3 8.6G1.8 36.0G7.5 HP MS 1991PAU/KEB

–C6H5CF3 12.6G1.8 52.7G7.5
–C6H5CCl3 12.4G1.8 51.9G7.5
BrK–C6H5OH (1) 20.8G1.8 87.0G7.5 HP MS (1) 1990PAU/KEB

(2) 19.6 82.0 (2) 1991PAU/KEB
BrK–C6F5OH 25.6G1.8 107.1G7.5 HP MS 1991PAU/KEB
BrK–C6H5C(O)H 13.2G1.8 55.2G7.5 HP MS 1991PAU/KEB

–C6H5C(O)CH3 14.1G1.8 59.0G7.5
–C6H5C(O)OH 18.3G1.8 76.6G7.5
–C6H5CN 14.7G1.8 61.5G7.5
–C6H5NH2 14.6G1.8 61.1G7.5
–C6H5N(CH3)2 11.7G1.8 49.0G7.5
–C6H5NO 13.7G1.8 57.3G7.5
–C6H5NO2 15.0G1.8 62.8G7.5
–C6H5OCH3 11.8G1.8 49.4G7.5
(continued)
BDEs (boldfaceZ
recommended data;
BrK–2-F–C6H4OH 20.9G1.8 87.4G7.5 HP MS 1990PAU/KEB

–3-F–C6H4OH 23.4G1.8 97.9G7.5
–4-F–C6H4OH 23.3G1.8 97.5G7.5
BrK–2-Cl–C6H4OH 21.2G1.8 88.7G7.5 HP MS 1990PAU/KEB

–3-Cl–C6H4OH 24.1G1.8 100.8G7.5
–4-Cl–C6H4OH 24.4G1.8 102.1G7.5
BrK–2-CN–C6H4OH 27.0G1.8 113.0G7.5 HP MS 1990PAU/KEB

–3-CN–C6H4OH 27.4G1.8 114.6G7.5
–4-CN–C6H4OH 27.8G1.8 116.3G7.5
BrK–2-CF3–C6H4OH 24.1G1.8 100.8G7.5 HP MS 1990PAU/KEB

–3-CF3–C6H4OH 25.7G1.8 107.5G7.5
–4-CF3–C6H4OH 26.6G1.8 111.3G7.5
BrK–2-CH3–C6H4OH 20.6G1.8 86.2G7.5 HP MS 1990PAU/KEB

–3-CH3–C6H4OH 20.3G1.8 84.9G7.5
BrK–2-CH3O–C6H4OH 20.6G1.8 86.2G7.5 HP MS 1990PAU/KEB

–3-CH3O–C6H4OH 22.1G1.8 92.5G7.5
–4-CH3O–C6H4OH 21.0G1.8 87.9G7.5
BrK–3-C(O)H–C6H4OH 25.2G1.8 105.4G7.5 HP MS 1990PAU/KEB

–4-C(O)H–C6H4OH 25.8G1.8 107.9G7.5
BrK–4-CH3C(O)–C6H4OH 25.1G1.8 105.07.5 HP MS 1990PAU/KEB
BrK–3-NH2–C6H4OH 20.3G1.8 84.9G7.5 HP MS 1990PAU/KEB

–4-NH2–C6H4OH 19.5G1.8 81.6G7.5
BrK–3-NO2–C6H4OH 27.4G1.8 114.6G7.5 HP MS 1990PAU/KEB

–4-NO2–C6H4OH 28.4G1.8 118.8G7.5
BrK–2-F–C6H4NO2 17.6G1.8 73.6G7.5 HP MS 1991PAU/KEB

–3-F–C6H4NO2 17.3G1.8 72.4G7.5
–4-F–C6H4NO2 15.8G1.8 66.1G7.5
BrK–2-Cl–C6H4NO2 17.1G1.8 71.5G7.5 HP MS 1991PAU/KEB

–3-Cl–C6H4NO2 17.5G1.8 73.2G7.5
–4-Cl–C6H4NO2 16.1G1.8 67.4G7.5
BrK–2-CH3–C6H4NO2 15.5G1.8 64.9G7.5 HP MS 1991PAU/KEB

–3-CH3–C6H4NO2 15.9G1.8 66.5G7.5
–4-CH3–C6H4NO2 16.2G1.8 67.8G7.5
BrK–2-CF3–C6H4NO2 19.2G1.8 80.3G7.5 HP MS 1991PAU/KEB

–3-CF3–C6H4NO2 18.5G1.8 77.4G7.5
–4-CF3–C6H4NO2 16.4G1.8 68.6G7.5
BrK–2-CN–C6H4NO2 20.9G1.8 87.4G7.5 HP MS 1991PAU/KEB

–3-CN–C6H4NO2 20.5G1.8 85.8G7.5
–4-CN–C6H4NO2 18.6G1.8 77.8G7.5
BrK–2-C(O)H–C6H4NO2 18.5G1.8 77.4G7.5 HP MS 1991PAU/KEB

–2,4-(CF3)2–C6H3NO2 17.6G1.8 73.6G7.5
–1,2-(NO2)2–C6H4 21.0G1.8 87.9G7.5
–2,4-(NO2)2–C6H3CN 21.6G1.8 90.4G7.5
–2,4-(NO2)2–C6H3CF3 19.8G1.8 82.8G7.5
BrK–1,2-(NO2)2–C6H4 21.0G1.8 87.9G7.5 HP MS 1991PAU/KEB

–1,3-(NO2)2–C6H4 20.3G1.8 84.9G7.5
–1,4-(NO2)2–C6H4 18.6G1.8 77.8G7.5
BrK1,3,5-(NO2)3–C6H3 22.5G1.8 94.1G7.5 HP MS 1991PAU/KEB

27.4 I–, IC–, and IK–X bonds

27.4.1 I–X bonds
Table 27.4.1 BDEs of I–X Bonds
BDEs (boldfaceZ
recommended data;
I–I (1) 36.111 151.088 Spectroscopy (1) 1979HUB/HER

(2) 36.456 152.534 (2) 1983TRO/ROY
(3) 36.39G0.14 152.25G0.57 (3) 2005LIU/HSU
I2–I (1) 5.3 22.2 Derived (1) 1958BUN/DAV

(2) w5.5 w23.2 (2) 1971BLA/BUR
(3) 5G2.4 21G10 (3) 1997DO/KLE
(4) 3.3G1.4 13.8G5.8 (4) 1999TAY/ASM
I2–He (1) 0.052!, 0 K 0.22! Spectroscopy (1) 1980BLA/DEK

(2) 0.050G0.003 0.211G0.012 (2) 1982SHA/KRO
ClI–He 0.064, at 0 K 0.268 Spectroscopy 2003DAR/CRO
I2–Ne (1) 0.21!, 0.87! Spectroscopy (1) 1982SHA/KRO

at 0 K
(2) 0.16 0.69 (2) 2001BUR/KER
ClI–Ne 0.14, at 0 K 0.58 Review 1988EVA/CLI
I–Ar (1) 2.4 10.0 (1) Photolysis (1) 1970BUR/LER

(2) w1.3 w5.3 (2) Spectroscopy (2) 1994ZHA/YOU
I2–Ar 0.67, at 0 K 2.81 Review 1988EVA/CLI
I2–Ar
Linear (1) 0.486!, 2.034! (1) Fluorescence (1) 1999MIL/CHU
at 0 K
T-shaped (1) 0.406 1.699

(2) 0.669! 2.799! (2) OODR (2) 2001BUR/HEA
BrHI–Ar w0.68, at 0 K w2.86 PES 2000LIU/GOM

IHI–Ar w0.73 w3.06
I–Kr 1.35 5.67 Spectroscopy 1994ZHA/YOU
I–Xe w1.7 w6.9 Spectroscopy 1996RAD/TEL
I–F (1) 67G1 280G4 Spectroscopy (1) 1970DAR

(2) %64.9 %271.5 (2) 1976CLY/MCD
I–Cl 50.5G0.1 211.3G0.4 Spectroscopy 1968GAY
I–35Cl 50.540G0.001 211.459G0.001 Spectroscopy 1978KIN/MCF

I–37Cl 50.551G0.001 211.507G0.001
I–Br (1) 42.5G0.1 177.8G0.4 (1) 1970DAR

(2) 42.8G0.1 179.1G0.4 (2) 1991RAJ/PAL
I–79Br 42.8145G0.0005 179.1359G0.0023 PD 2000WRE/LAU

I–81Br 42.8168G0.0014 179.1453G0.0060
I–H (1) 71.321 298.407 (1) Spectroscopy (1) 1979HUB/HER

(2) 71.29G0.02 298.26G0.10 (2) Derived from (2) 2004SHE/YUN
DfH0 from ref.
–D (1) 72.26 302.33
27.4.2 IC–X bonds

Table 27.4.2 BDEs of ID–X Bonds
BDEs (boldfaceZ
recommended data;
IC–I (1) 60.7G0.2 254.0G0.8 (1) Derived (1) 1974GUR/KAR

DfH0 in ref.
IC–F (1) 66G3 276G13 (1) Derived (1) 1974GUR/KAR

in ref.
IC–Cl (1) 53.8G0.4 225.1G1.7 (1) Derived (1) 1974GUR/KAR

(2) 59.2G0.1 247.5G0.4 (2) Derived from IP (2) 2000YEN/LOP
in ref.
IC–Br 44.19G0.01 184.90G0.02 ZEKE-PEI 1998BEA/MAC
IC–H (1) 72.9G0.5 305.0G2.1 (1) Derived (1) 1974GUR/KAR

in ref.
IC–O 75.6G2.5 316.3G10.5 Derived from IP in 1996NIST

ref.
IC(CH3I)x–CH3
xZ0 78.9, at 0 K 330.0 PI 1997RAN/SHU
1 12.2 51.1
2 27.0 112.9
27.4.3 IK–X bonds

Table 27.4.3 BDEs of IL–X Bonds
BDEs (boldfaceZ
recommended data;
IK–I 24.1G0.1 100.9G0.4 PES 1997ZAN/TAY
IK–F 17.4G0.3 72.8G1.3 Derived from 1996NIST

DfH0 in ref.
IK–Li 30.9G1.1 129.3G4.6 PES 1986MIL/LEO

–Na 23.7G0.5 99.2G1.9
–K 24.0G0.5 100.4G1.9
–Rb 23.6G1.0 98.7G4.2
–Cs 24.8G1.0 103.8G4.2
IK–Mg 28.0G1.5 117.2G6.3 Derived from EA 1996NIST

in ref.
IK–CsI 36.1G1.3 151.0G5.4 MS 1979GUS/GOR

–CsI2 27.6G3.0 115.5G12.6
IK–Ar 1.5 6.3 Spectroscopy 1994ZHA/YOU

–Kr 1.9 7.9
IK–Xe (1) 2.1 8.7 PES (1) 1997BEC/MAR
(2) 1.6 6.7 (2) 1998LEN/FUR

(3) 1.7G0.2 7.2G0.8 (3) 2001PIV/LEN
(4) 2.1G0.5 8.8G2.1 (4) 2002HEN/CLE
IK
2 –Ar 1.22 5.11 PES 1998ASM/TAY
(continued)
Table 27.4.3 (continued) BDEs of IK–X Bonds
BDEs (boldfaceZ
recommended data;
BrHIK–Ar w1.14 w4.78 PES 2000LIU/GOM

IHIK–Ar w1.52 w6.34
IK–O 41.6G2.0 174.2G8.4 PES 1992GIL/POL
IK–C 35G10 147G42 Derived from EA 1996NIST

in ref.
IK–CsI 30.4 127 Derived 1988BEN/KAP
IK–Cl2 94.4 395 Derived 1977FIN/GAT
IK(I2)x–I2
xZ0 30.1G1.4 126G6 CID 1997DO/KLE
1 11.7G1.4 49G6
IK–H2 0.72, at 0 K 3.03 Photofrag. 2003WIL/LOH
IK–D2(para) 0.85, at 0 K 3.55 IR 2004WIL/BIE

–D2(ortho) 0.67 2.82
IK–HF 15.0G2.0 62.8G4.2 NICI 1989CAL/MAS
IK–HCl (1) 14.2 59.4 (1) HP MS (1) 1980KEE/LEE

(2) 14.3 59.8 (2) ICR (2) 1985LAR/MCM
(3) 14.8 61.9 (3) HP MS (3) 1985CAL/KEB
IK–HBr 16.1 67.4 ICR 1985LAR/MCM
IK–HI 17.0 71.1 ICR 1985LAR/MCM
IK–(IK)2 33.5G3.6 140G15 MS 1984BUR/KUD
IK(NO)x–NO
1 3.9 16.3
IK(HCN)x–HCN
xZ0 (1) 16.8 70.3 (1) HP MS (1) 1988MEO/CYB
1 (1) 13.2 55.2
2 (1) 11.2 46.9
3 (1) 9.2 38.5
4 (1) 8.6 36.0
5 (1) 7.4 31.0
6 (1) 7.4 31.0
7 (1) 6.8 28.5
IK(CO2)x–CO2
xZ0 (1) 5.6 23.4 (1) HP MS (1) 1980KEE/LEE
(2) 4.7 19.7 (2) HP MS (2) 1987HIR/MIZ(b)
(3) 4.2G2.0 17.6G8.4 (3) PD (3) 1995ARN/BRA
(4) 3.2 13.3 (4) PES (4) 2002GOM/TAY
(5) 3.7 15.4 (5) Photodetach. (5) 2005BOW/BEC
1 (2) 4.6 19.2
(3) 3.6G2.0 15.1G8.4
(4) 2.6 10.9
2 (2) 4.5 18.8
(3) 3.7G2.0 15.5G8.4
(4) 2.2 9.2
3 (2) 4.3 18.0
(3) 3.6G2.0 15.1G8.4
(4) 1.8 7.5
4 (2) w4.2 w17.6
(3) 3.1G2.0 13.0G8.4
(4) 1.7 7.1
5 (3) 3.0G2.0 12.6G8.4
(4) 1.8 7.5
(continued)
BDEs (boldfaceZ
recommended data;
6 (3) 3.3G2.0 13.8G8.4

(4) 1.9 7.9
7 (3) 3.1G2.0 12.9G8.4
8 (4) 1.9 7.9
9 (3) 2.8G2.0 11.7G8.4
(3) 0.9G2.0 3.8G8.4
10 (3) 1.0G2.0 4.2G8.4
11 (3) 1.6G2.0 6.7G8.4
12 (3) 1.1G2.0 4.6G8.4
IK(N2O)x–N2O
xZ0 (1) 3.78G0.3 15.8G1.3 (1) HP MS (1) 1993HIR/ARU
(2) 2.7G2.0 11.3G8.4 (2) PD (2) 1995ARN/BRA
1 (1) 3.30G0.3 13.8G1.3
(2) 2.9G2.0 12.1G8.4
2 (1) w3.2 w13.4
(2) 2.7G2.0 11.3G8.4
3 (2) 2.8G2.0 11.7G8.4
4 (2) 2.7G2.0 11.3G8.4
5 (2) 2.3G2.0 9.6G8.4
6 (2) 2.2G2.0 9.2G8.4
7 (2) 2.1G2.0 8.8G8.4
8 (2) 2.4G2.0 10.0G8.4
9 (2) 1.8G2.0 7.5G8.4
10 (2) 1.1G2.0 4.6G8.4
11 (2) 1.3G2.0 5.4G8.4
IK(CS2)x–CS2
xZ0 7.4G0.2 31.0G0.8 HP MS 1993HIR/FUJ
1 6.75G0.2 28.2G0.8
IK(SO2)x–SO2
xZ0 (1) 12.9 54.0 (1) HP MS (1) 1980KEE/LEE
(2) 14.3G2.0 59.8G8.4 (2) HP MS (2) 1985CAL/KEB
1 (1) 10.1 42.3
2 (1) 9.2 38.5
IK(SCO)x–SCO
xZ0 (1) 6.4G0.3 26.8G1.3 (1) HP MS (1) 2004HIR/FUJ
1 (1) 5.8G0.3 24.3G1.3
2 (1) 5.6G0.3 23.4G1.3
3 (1) 5.4G0.3 22.6G1.3
IK(H2O)x–H2O
xZ0 (1) 10.2 42.7 (1) HP MS (1) 1970ARS/YAM
(2) 10.3G0.3 43.1G1.3 (2) HP MS (2) 1988HIR/MIZ
(3) 10.4G1.0 43.5G4.2 (3) PES (3) 1991MAR/GIN
(4) 10.4 43.5 (4) ICR (4) 1996TAN/MOR
1 (1) 9.8 41
(2) 9.5G0.2 39.7G0.8
(6) 9.9G0.2 41.4G0.8 (6) HP MS (6) 1980KEE/GAS
(7) 9.5 39.7 (7) PD (7) 1994MAR/POL
2 (1) 9.4 39.3
(2) 9.2G0.2 38.5G0.8
(6) 9.3G0.3 38.9G1.3
(7) 8.5 35.6
3 (2) 9.2G0.4 38.5G1.7
(7) 6.9 28.9
4 (2) w9.0 w38
(7) 4.2 17.4
5 (7) 7.8 32.8
IK–H2S 8.8G1.0 36.8G4.2 NICI 1989CAL/MAS
IK–NH3 (1) 7.4 31.0 (1) HP MS (1) 1987EVA/KEE

IK–PI3 12.9G2 54G8 CID 2002HEI/CHE
IK–CeI3 67G7 280G29 MS 1976CHA
(continued)
BDEs (boldfaceZ
recommended data;
IK(DyI3)x–DyI3
xZ0 66.7G2.0 279.0G8.4 MS 1984LEL/KOR
1 45.2G0.6 189.1G2.5
IK(HoI3)x–HoI3
xZ0 69.1 289 MS 1988BEN/KAP
1 45.4 190
IK–CF3 7.4G4.6 30.9G19.3 Derived 1978COM/REI(b)
IK–CH4 2.6G0.2 10.9G0.8 HP MS 2001HIR/MIZ
IK–CHF3 14.1G1.0 59.0G4.2 NICI 1989CAL/MAS

–CHCl3 12.9G1.0 54.0G4.2
IK–CH3Br 8.3G0.5 34.7G1.9 PD 1992CYR/BIS
IK(CH3I)x–CH3I
xZ0 (1) 9.0 37.7 (1) HP MS (1) 1974DOU/ROB
(2) 8.3G0.5 34.7G2.1 (2) PD (2) 1992CYR/BIS
(3) 8.4G0.5 35.1G2.1 (3) PES (3) 1995ARN/NEU
(4) 7.8G0.2 32.6G0.8 (4) MS (4) 2005HIR/FUJ
1 (4) 7.0G0.2 29.3G0.8
IK(CH3OH)x–CH3OH
xZ0 (1) 11.3 47.3 (1) HP MS (1) 1984CAL/BER
(2) 11.2 46.9 (2) HP MS (2) 1991HIR/YAM(b)
(4) 11.9G0.2 49.8G0.4 (4) HP MS (4) 1999BOG/PES
1 (2) 11.1 46.4
(4) 9.5G0.2 39.7G0.8
2 (2) 9.8 41.0

(4) 7.7G0.6 32.2G2.5
3 (2) 9.7 40.6
4 (2) 9.7 40.6
5 (2) 9.6 40.2
6 (2) 9.4 39.3
7 (2) w9.1 w38
IK(CH3CN)x–CH3CN
xZ0 (1) 11.9 49.8 (1) HP MS (1) 1972YAM/KEB
(2) 11.0 46.0 (2) HP MS (2) 1994HIR/YAM
(3) 11.1G0.4 46.4G1.7 (3) Laser PES (3) 1995DES/BAI
(4) 11.9 49.8 (4) ICR (4) 1996TAN/MOR
(5) 11.1G0.4 46.4G1.7 (5) PES (5) 1996MAR/PER
1 (1) 10.5 43.9
(2) 10.4 43.5
(4) 11.1G0.4 46.4G1.7
(5) 11.1G0.7 46.4G2.9
2 (1) 9.3 38.9
(2) 9.2 38.5
(5) 9.7G0.7 40.6G2.9
3 (2) 7.8 32.6
(5) 7.8G0.1 32.6G0.4
(5) 7.4G0.8 31.0G3.3
4 (2) 7.1 29.7
(5) 10.6G0.9 44.4G3.8
(5) 10.6G0.9 44.4G3.8
IK(HC(O)OH)x–HC(O)OH
xZ0 (1) 18.9 79.1 (1) HP MS (1) 1984CAL/KEB
(2) 12.9G2.2 54G9 (2) CID (2) 1999WAL/SUN
1 (2) 10.8G2.2 45G9
IK–CH3NO2 12.2G1.0 51.0G4.2 NICI 1989CAL/MAS
IK(C2H4)x–C2H4
xZ0 (1) 3.7G0.3 15.5G1.3 (1) HP MS (1) 2001HIR/KAT
1 (1) 3.6G0.3 15.1G1.3
2 (1) 3.5G0.3 14.6G1.3
3 (1) 3.4G0.3 14.2G1.3
(continued)
BDEs (boldfaceZ
recommended data;
4 (1) 3.4G0.3 14.2G1.3

IK(C2H5OH)x–C2H5OH
xZ0 (1) 12.1 50.6 (1) HP MS (1) 1984CAL/KEB
(2) 11.7 49.0 (2) ICR (2) 1996TAN/MOR
(3) 13.0G0.2 54.4G0.8 (3) HP MS (3) 1999BOGPES
1 (3) 10.5G0.2 43.9G0.8
2 (3) 8.4G0.5 35.1G2.1
IK–CF3CH2OH 20.1G1.0 84.1G4.2 NICI 1989CAL/MAS

–CF3CH2NH2 14.1G1.0 59.0G4.2
IK–CH3C(O)OH 16.9G1.0 70.7G4.2 HP MS 1984CAL/KEB
IK(Me2SO)x–Me2SO
xZ0 (1) 15.7 65.7 HP MS (1) 1984MAG/CAL
(2) 16 66.9 (2) 1989CAL/MAS
1 (1) 12.8 53.6
2 (1) 11.6 48.5
IK(C3H6)x–C3H6
xZ0 (1) 4.6G0.3 19.2G1.3 (1) HP MS (1) 2001HIR/KAT
1 (1) 4.5G0.3 18.8G1.3
2 (1) 4.4G0.3 18.4G1.3
IK(C3F6)x–C3F6
xZ0 8.6G0.3 36.0G1.3 HP MS 2002HIR/TAK
1 7.7G0.3 32.2G1.3
IK(–i-C3H7OH)x–i-
C3H7OH
xZ0 (1) 12.2 51.0 (1) HP MS (1) 1984CAl/KEB
(2) 13.1G0.2 54.8G0.8 (2) HP MS (2) 1999BOG/PES
1 (2) 11.0G0.3 46.0G1.3
2 (2) 9.5G0.7 39.7G2.9
IK–(CF3)2CHOH 23.9G1.0 100.0G4.2 NICI 1989CAL/MAS

–(CN)2CH2 18.9G1.0 79.1G4.2
–CH3C(O)CH3 12.0G1.0 50.2G4.2
IK–CH3CH2C(O)OH 16.6G1.0 69.5G4.2 HP MS 1984CAL/KEB
IK(L)x–L, LZ–t-C4H9OH
xZ0 (1) 12.1 50.6 HP MS (1) 1984CAl/KEB
(2) 13.1G0.3 54.8G1.3 (2) 1999BOG/PES
1 (2) 11.3G0.4 47.3G1.7
IK–t-C4F9OH 23.2G1.0 97.1G4.2 NICI 1989CAL/MAS
IK–i-C3H7COOH 16.7 69.9 HP MS 1984CAL/KEB

–i-C4H9COOH 15.4 64.6
–t-C4H9COOH 15.4 64.4
IK–CH3C(O)CH2C(O)CH3 15.1G1.0 63.2G4.2 NICI 1989CAL/MAS
IK–C5F8 10.0G0.2 41.8G0.8 MS 2005HIR/FUJ
IK–C6H6 (1) 6.1G2.0 25.5G8.4 HP MS (1) 1988HIR/MIZ

(2) 9.1G1.0 38.1G4.2 (2) 1989CAL/MAS
IK(C6F6)x–C6F6
xZ0 11.0 46.0 HP MS 1987HIR/MIZ
1 10.4 43.5
(continued)
BDEs (boldfaceZ
recommended data;
I-
Y
YZCH3 (1) 11.0G1.0 46.0G4.2 (1) NICI (1) 1989CAL/MAS

NH2 (1) 12.9G1.0 54.0G4.2
IK–YC6H4OH
YZH (1) 17.3G1.8 72.4G7.5 (1) HP MS (1) 1990PAU/KEB
3-F (1) 19.4G1.8 81.2G7.5
4-F (1) 19.6G1.8 82.0G7.5
3-Cl (1) 21.1G1.8 88.3G7.5
4-Cl (1) 20.5G1.8 85.8G7.5
3-CN (1) 23.0G1.8 96.2G7.5
4-CN (1) 23.8G1.8 99.6G7.5
3-NO2 (1) 23.2G1.8 97.1G7.5
4-NO2 (1) 23.2G1.8 97.1G7.5
4-CH3 (1) 16.4G1.8 68.6G7.5
IK
2 ðCO2 Þx –CO2
xZ0 3.2G0.5 13.4G2.0 FSEP 2002WES/DAV
1 2.6G0.5 10.7G2.0
2 2.2G0.5 9.2G2.0
27.5 At–X bonds

Table 27.5 BDEs of At–X Bonds
BDEs (boldfaceZ
recommended data;
At–At (1) w19.1 w80 (1) MS (1) 1957DRO/HON

(2) 30.4 127.4 (2) Fitting (2) 1996DOJ/CHE
AtC–At (1) 56.2 235.3 (1) Derived (1) 1996SMI/YAT

(2) 51G9 214G39 (2) Derived from IP (2) 1996NIST
in ref.
AtK–At 23.5 98.5 Fitting 1996DOJ/CHE

chapter twenty-eight
BDEs in rare gas atom/ion clusters
28.1 Rare gas atom clusters

28.1.1 Diatomic clusters
Table 28.1.1 BDEs in Rare Gas Diatom Clusters
BDEs (boldfaceZ
recommended data;
He–He (1) 0.9 3.8 (1) Spectroscopy (1) 1979HUB/HER

(2) 0.91G0.01 3.81G0.03 (2) Mol. Beam (2) 2000GRI/SCH
(3) 0.910 3.809 (3) Recommend (3) 2001AND
Ne–Ne (1) 0.94 3.93 (1) Spectroscopy (1) 1973TAN/YOS

(2) 0.973 4.070 (2) Re-examined (2) 1989AZI/SLA
Ar–Ar (1) 1.13G0.01 4.73G0.04 (1) Spectroscopy (1) 1988HER/LAR

(2) 1.174 4.910 (2) Re-examined (2) 1993AZI
Kr–Kr (1) 1.25G0.01 5.23G0.02 Spectroscopy (1) 1973TAN/YOS(b)

(2) 1.29 5.39 (2) 1994ZHA/YOU
Xe–Xe (1) 1.45 6.07 Spectroscopy (1) 1994ZHA/YOU

(2) 1.42 5.93 (2) 1974FRE/YOS
(3) 1.56 6.52 (3) 1976CHA/SHR
(4) 1.442 6.032 (4) 1994GRE/WAL
(continued)
1429
Table 28.1.1 (continued) BDEs in Rare Gas Diatom Clusters
BDEs (boldfaceZ
recommended data;
Rn–Rn 1.7 7.0 Re-analyzed 1998RUN/PYY
He–Ne 0.93 3.89 Re-analyzed 2003TAN/TOE
He–Ar (1) 0.93 3.89 (1) Review (1) 1974GUR/KAR

(2) 0.95 3.96 (2) Re-analyzed (2) 2003TAN/TOE
He–Kr 0.95 3.97 Re-analyzed 2003TAN/TOE
He–Xe (1) 0.9 3.8 (1) Scattering (1) 1979HUB/HER

He–Rn 0.95 3.98 Re-analyzed 2003TAN/TOE
Ne–Ar (1) 0.99 4.15 (1) Scattering (1) 1979HUB/HER

(2) 1.40G0.05 5.84G0.19 (2) PI (2) 1982PRA/DEH
–Kr (1) 1.00 4.18
(2) 1.30G0.09 5.45G0.39
(3) 1.03 4.31
–Xe (1) 1.00 4.18
(2) 1.21G0.05 5.07G0.19
(3) 1.03 4.31
Ne–Rn 1.04 4.36 Re-analyzed 2003TAN/TOE
Ar–Kr (1) 1.22 5.11 (1) Spectroscopy (1) 1994ZHA/YOU

Ar–Xe (1) 1.26 5.29 (1) Spectroscopy (1) 1994ZHA/YOU

BDEs in Rare Gas Atom/Ion Clusters 1431
(2) 4.98G0.02 20.85G0.10 (2) Spectroscopy (2) 2002YOS/HAY

Ar–Rn 1.3 5.5 Re-analyzed 2003TAN/TOE
Kr–Xe (1) 1.32 5.51 (1) Spectroscopy (1) 1989BAL/JON

(2) 1.35 5.66 (2) Spectroscopy (2) 1994ZHA/YOU
Kr–Rn 1.4 6.0 Re-analyzed 2003TAN/TOE

Xe–Rn 1.5 6.5
He–Hg (1) 1.58 6.61 (1) Review (1) 1974GUR/KAR

(2) 0.9 3.8 (2) Spectroscopy (2) 1988YAM/ISO
Ne–Na (1) w1.3 w5.4 Spectrometry (1) 1977BIT/LAP

(2) w0.9 w3.8 (2) 1999GIL/TRA
Ne–Mg w1.0 w4.1 Review 1999GIL/TRA
Ne–Zn (1) 0.95 3.96 Spectroscopy (1) 1999MCC/BEL

(2) 0.94 3.92 (2) 2000KOP/CZA
Ne–Cd 0.95 3.97 Spectroscopy 1994CZA/KRA
Ne–Hg (1) 1.0 4.2 Spectroscopy (1) 1988YAM/ISO

(2) 1.09 4.56 (2) 1995OND/YAM
(3) 0.99 4.14 (3) 1997TAS/OND
Ne–B 0.95 3.97 LIF 1996YAN/HWA
Ne–Al 0.93 3.9 Spectroscopy 1998YAN/DAG
(continued)
BDEs (boldfaceZ
recommended data;
Ar–Br w1.2 w5.0 Spectroscopy 1994ZHA/YOU
Ar–I (1) 2.4 10.0 (1) Photolysis (1) 1970BUR/LER

(2) w1.3 w5.3 (2) Spectroscopy (2) 1994ZHA/YOU
Ar–Li (1) w1.9 w7.9 (1) Review (1) 1969SCH

(2) 1.87 w7.82 (2) Derived from (2) 2002KER/MAV
the data in ref.
Ar–Na w1.0 w4.2 Review 1999GIL/TRA
Ar–Mg (1) 1.3 5.6 (1) PI (1) 1996MAS/BRE

(2) w0.9 w3.7 (2) Review (2) 1999GIL/TRA
Ar–Ca 1.06G0.14 4.44G0.60 R2PI 1997KAU/BRE(d)
Ar–Zn (1) 1.8 7.4 (1) Spectroscopy (1) 1990BEN/BRE

(2) 1.2 5.0 (2) Review (2) 1994CZA/KRA
Ar–Cd (1) 1.2 5.0 (1) Review (1) 1994CZA/KRA

(2) 1.33G0.01 5.57G0.05 (2) Spectroscopy (2) 2002KOP/LUK
Ar–Hg (1) 1.26 5.29 Spectroscopy (1) 1988YAM/ISO

(2) O2.3 O9.7 (2) 1990OHS/LID
(3) 1.24 5.20 (3) 1997TAS/IND
(4) 1.27 5.32 (4) 2002KOP/CZA
Ar–B (1) 1.18 4.94 Spectroscopy (1) 1997YAN/DAG

(2) 1.10 4.62 (2) 1998STA/KNI
Ar–Al (1) 1.40 5.87 Spectroscopy (1) 1990MCQ/GOL

(2) 1.24 5.18 (2) 1992HEI/FU
(3) 1.36 5.69 (3) 1993STA/SCH
(4) 1.24 5.18 (4) 1996STA/KNI
Ar–Ga 0.95 3.96 Spectroscopy 1998STA/KNI
Ar–In (1) 2.08 8.7 Spectroscopy (1) 1989CAL/MIT

(2) 1.00 4.18 (2) 1998STA/KNI
Ar–Tl 0.98 4.09 Spectroscopy 1998STA/KNI
Ar–C 1.233 5.158 Spectroscopy 2000LEI/DAG
Ar–Si 1.40 5.86 Spectroscopy 2002TAO/TES
Ar–Ge !1.3 !5.4 Spectroscopy 2003TAO/DAG
Ar–Sn !1.2 !5.1 Spectroscopy 2004TAO/DAG
Kr–F 1.6 6.6 Spectroscopy 1994LO/SET
Kr–I 1.35 5.67 Spectroscopy 1994ZHA/YOU
Kr–Li w2.9 w12.1 Scattering 1974AUE
Kr–Na w1.08 w4.53 Review 1999GIL/TRA
Kr–K 1.1 4.6 Review 1979HUB/HER
(continued)
BDEs (boldfaceZ
recommended data;
Kr–Mg 1.60G0.23 6.71G0.96 Spectroscopy 1997KAU/BRE(c)
Kr–Ca 1.23G0.17 5.15G0.72 R2PI 1997KAU/BRE(d)
Kr–Zn 1.2 5.0 Spectroscopy 1992WAL/RYT
Kr–Cd (1) 1.26G0.03 5.27G0.12 Spectroscopy (1) 1986BOU

(2) 1.26 5.26 (2) 1988WAL/BEN
(3) 1.19 4.98 (3) 1991CZA/BOB
(4) 1.23 5.17 (4) 1992WAL/RYT
Kr–Hg (1) 2.69 11.2 (1) Review (1) 1999GIL/TRA

(2) 1.37 5.75 (2) Spectroscopy (2) 2001KOP/ATK
Kr–Al (1) 1.45 6.05 Spectroscopy (1) 1992HEI/FU

(2) 1.45 6.05 (2) 1998STA/KNI
Kr–Ga 0.97 4.08 Spectroscopy 1998STA/KNI
Kr–In (1) 3.23 13.5 Spectroscopy (1) 1989CAL/MIT

(2) 1.16 4.85 (2) 1998STA/KNI
Kr–Tl 0.99 4.14 Spectroscopy 1998STA/KNI
Kr–O !2 !8 Review 1974GUR/KAR
Xe–Li w2.9 w12.1 Scattering 1974AUE

Xe–Na w1.22 w5.12 Review 1999GIL/TRA
Xe–K 1.2 5.0 Review 1979HUB/HER
Xe–Mg 2.32G0.43 9.70G1.79 Spectroscopy 1997KAU/LEU
Xe–Ca 1.75G0.23 7.31G0.96 R2PI 1997KAU/BRE(d)
Xe–Cd (1) 1.39 5.82 Spectroscopy (1) 1989FUN/BRE

(2) 1.56 6.54 (2) 1994CZA/KRA
Xe–Hg 1.59 6.65 LIF 1986YAM/FUK
Xe–Al (1) 1.78G0.16 7.43G0.69 Spectroscopy (1) 1989CAL/MIT

(2) 1.77 7.39 (2) 1998STA/KNI
Xe–Ga 1.26 5.27 Spectroscopy 1998STA/KNI
Xe–In (1) 5.00 20.91 Spectroscopy (1) 1989CAL/MIT

(2) 1.55 6.48 (2) 1998STA/KNI
Xe–Tl 1.00 4.18 Spectroscopy 1998STA/KNI
Xe–F (1) 3.77 15.77 Spectroscopy (1) 1981RAO/RED

(2) 3.39 14.18 (2) 1994JOH/TEL
Xe–Cl (1) 1.6 6.7 Spectroscopy (1) 1979HUB/HER

(2) 1.6 6.7 (2) 1980WAY/EDE
(3) 1.69 7.08 (3) 1983TEL
Xe–Br 1.42G0.01 5.94G0.02 Spectroscopy 1995CLY/TEL
(continued)
BDEs (boldfaceZ
recommended data;
Xe–I w1.7 w6.9 Spectroscopy 1996RAD/TEL
Xe–O 8.7 36.4 Review 1974GUR/KAR
Xe–N 6.4 26.9 Spectroscopy 1963HER/HER
28.1.2 Polyatomic clusters

Table 28.1.2 BDEs in Rare Gas Polyatom Clusters
BDEs (boldfaceZ
recommended data;
He–HF 0.02, at 0 K 0.08 Spectroscopy 1990lOV/NES

–DF 0.02 0.08
–HCl 0.03 0.12
He–Cl2 (1) 0.03, at 0 K 0.11 (1) Review (1) 1988EVA/CLI

(2) 0.15 0.65 (2) Spectroscopy (2) 1989CLI/SIV
(3) 0.11 0.46 (3) Combined (3) 1993BEN/CAS
He–Br2 0.05, at 0 K 0.20 Spectroscopy 1994JAH/CLE
He–Br2, linear 0.049G0.02, 0.203G0.10 LIF 2005BOU/STR

at 0 K
He–Br2, T-shaped 0.047G0.02 0.199G0.10
He–I2 (1) 0.052!, 0 K 0.22! Spectroscopy (1) 1980BLA/DEK

(2) 0.050G0.003 0.211G0.012 (2) 1982SHA/KRO
He–ClI 0.064, at 0 K 0.268 Spectroscopy 2003DAR/CRO

He–I35Cl
linear 0.063G0.006, 0 K 0.263G0.024 Combined 2004BOU/DAR
T-shaped 0.056G0.006 0.234G0.024
He–O2 0.06, at 0 K 0.26 Scattering 1987BEN/CAS
He–N2 0.06, at 0 K 0.23 Scattering 1987BEN/CAS
He–NO 0.06, at 0 K 0.26 Scattering 1987BEN/CAS
He–SO w0.1, at 0 K w0.3 Mol. beam 1997AQU/ASC
He–H2O 0.06, at 0 K 0.27 Scattering 2005AQU/COR
He–C6H5NH2 w0.29G0.14, 0 K w1.2G0.6 R2PI 1984BER/LAW
He–2,3- 0.17, at 0 K 0.72 Combined 1997BAC/LEU

dimethynaphthalene
Ne–Cl2 0.16, at 0 K 0.66 Review 1988EVA/CLI
Ne–ClI 0.14, at 0 K 0.58 Spectroscopy 1987DRO/LES
Ne–Br2 (1) 0.20, at 0 K 0.84 Spectroscopy (1) 1985THO/EVA

(2) 0.20 0.84 (2) 1997SAT/STE
Ne–I2 0.21–0.22, 0 K 0.87–0.89 Spectroscopy 1982SHA/KRO
Ne–ICl 0.14, at 0 K 0.58 Review 1988EVA/CLI
(continued)
Table 28.1.2 (continued) BDEs in Rare Gas Polyatom Clusters
BDEs (boldfaceZ
recommended data;
Ne–O2 0.13, at 0 K 0.58 Scattering 1977LUZ/PIR
Ne–SH (1) 0.1, at 0 K w0.4 Spectroscopy (1) 1997YAN/CAR

(2) 0.30 1.24 (2) 1999CAR/MIL(b)
Ne–SO w0.1, at 0 K w0.5 Mol. beam 1997AQU/ASC
Ne–H2O 0.13, at 0 K 0.55 Scattering 2005AQU/COR
Ne–CH4 w0.1, at 0 K w0.5 Scattering 1987LIU/LUZ
Ne–cyclo-C3H6 w0.34, at 0 K w1.44 Spectroscopy 1997XU/JAG
Ne–benzene (1) w0.4, at 0 K w1.7 (1) FT MW (1) 1994BRU/MAK

Ne–pyridazine w0.2, at 0 K w0.8 Spectroscopy 2000CAM/MEL
Ne–pyridine 0.3, at 0 K 1.1 Spectroscopy 1998MAR/CAM
Ne–pyrimidine 0.3, at 0 K 1.3 Spectroscopy 1999CAM/FAV
Ne–carbazole !0.61, at 0 K !2.57 SEP-R2PI 1995DRO/BUR
Ne–fluorene R0.7, at 0 K R2.8 Two-photon tech 1983LEU/EVE
Ne–p-difluorobenzene 0.34, at 0 K 1.44 UV fluorescence 2004JAY/PAR

Ne–propylene oxide 0.3, at 0 K 1.1 Spectroscopy 2002BLA/MAR(b)
Ne–2,5-dihydrofuran 0.3, at 0 K 1.1 Spectroscopy 1999MAR/FAV
Ne–dimethylether 0.2, at 0 K 1.0 Spectroscopy 2003MAR/CAM
Ar–Ag2 0.79, at 0 K 3.3 Electron spectra 1991WIL/CHE(b)
Ar–Cl2 0.54, at 0 K 2.25 Spectroscopy 1988EVA/CLI
Ar–I2 0.67, at 0 K 2.81 Review 1988EVA/CLI
Ar–I2 at 0 K
linear (1) 0.486–0.497 2.034–2.081 (1) Fluorescence (1) 1999MIL/CHU
T-shaped (1) 0.406 1.699
(2) 0.669! 2.799! (2) OODR (2) 2001BUR/HEA
Ar–HF 0.29, at 0 K 1.22 IR 1986FRA/PIN
Ar–HCl (1) 1.1, at 0 K 4.6 Spectroscopy (1) 1963RAN/SIT

(2) 0.5 2.2 (2) 1982BOO/EIS
(3) 0.33 1.36 (3) 1985HOW/PIN
(4) 1.3 5.4 (4) 1988HUT
Ar–ClF 0.66, at 0 K 2.75 Review 1988EVA/CLI
Ar–HBr 0.37, at 0 K 1.56 IR 2005WAN/MCI
Ar–O2 (1) w0.29, at 0 K w1.2 (1) Review (1) 1976BLA/EWI

(2) 0.27 1.11 (2) Scattering (2) 1981PIR/VEC
Ar–OH (1) 2.1, at 0 K 8.6 Spectroscopy (1) 1993HEA

(2) 2.14 8.97 (2) 1999CAR/MIL
(continued)
BDEs (boldfaceZ
recommended data;
Ar–CO 0.3, at 0 K 1.3 Spectroscopy 1995KRA/CRE
Ar–SO w0.4, at 0 K w1.6 Mol. beam 1997AQU/ASC
Ar–SH (1) 1.31, at 0 K 5.48 Spectroscopy (1) 1997YAN/CAR

(2) 1.64 6.84 (2) 1999CAR/MIL
Ar–N2 w0.27, at 0 K w1.13 Review 1976BLA/EWI
Ar–NO (1) 0.27, at 0 K 1.15 (1) Mol. beam (1) 1984CAS/LAG

(2) 0.25 1.06 (2) MPI (2) 1989MIL
(3) 0.25 1.05 (3) R2PI (3) 1994TSU/SHI
(4) 0.257 1.077 (4) REMPI (4) 2004PAR/CHA
Ar–NaCl w2, at 0 K w8 Spectroscopy 1998MIZ/END
Ar–BrHI w0.68, at 0 K w2.86 PES 2000LIU/GOM

Ar–IHI w0.73 w3.06
Ar–CO2 0.475, at 0 K 1.986 Photofragm. 2000OUD/MIL(b)
Ar–H2O (1) 0.4, at 0 K 1.7 (1) IR (1) 1993COH/SAY

(2) 0.3 1.4 (2) Scattering (2) 2005AQU/COR
Ar–CH4 w0.4 w1.6 Scattering 1987LIU/LUZ
Ar–CH2F2 w0.4, at 0 K w1.5 Spectroscopy 2000LOP/FAV
Ar–W(CO)5 %3 %13 Est. by exp. 1992WEL/WEI

Ar–CF2CH2 0.50, at 0 K 2.10 Spectroscopy 1995BET/BET
Ar–CH3OH 0.43, at 0 K 1.8 Spectroscopy 2004MAR/CAM

–C2H5OH 0.50 2.1
–sec-C4H9OH 0.55 2.3
Ar–cyclo-C3H6 w0.88, at 0 K w3.67 Spectroscopy 1997XU/JAG
Ar–Si(CH3)2F2 0.66, at 0 K 2.75 Spectroscopy 2005GIU/OTT
Ar–C6H6 (1) !0.97, at 0 K !4.07 (1) Spectroscopy (1) 1993KRA/NEU

(2) w1.2 w4.9 (2) FT MW (2) 1994BRU/MAK
(3) !0.90 !3.78 (3) Spectroscopy (3) 1999SAT/PIE
(4) !0.97 !4.1 (4) MATI (4) 1999NEU/GRE
(5) 0.90 3.76 (5) Spectroscopy (5) 2003SAM/LAW
Ar–C6H5F (1) 0.92, at 0 K 3.84 MATI (1) 1996GRE/NEU

(2) 0.98 4.11 (2) 1997LEM/BRU
2Ar–C6H5F 0.99, at 0 K 4.15 MATI 1997LEM/BRU

3Ar–C6H5F 1.04 4.35
Ar–p-C6F2H4 (1) w1.1, at 0 K w4.7 Spectroscopy (1) 1986BUT/CAT

(2) 1.64 6.84 (2) 2001BEL/MOU
Ar–p-F–C6H4CH3 0.94G0.06, at 0 K 3.94G0.24 MATI 2004GEO/CHA
Ar–C6H5CH3 0.59–0.72, 0 K 2.45–3.00 LIF 1997KEN/HAA
Ar–C6H5CH2 1.29, at 0 K 5.38 Spectra 1993DIS/BER
Ar–C6H5CHCH2 1.13, at 0 K 4.74 MPI 1988RAD/EVE
(continued)
BDEs (boldfaceZ
recommended data;
Ar–anthracene 0.98–2.04, 0 K 4.09–8.52 LIF 1991MUL/HEI
Ar–tetracene !0.78, at 0 K !3.28 LIF 1981GRI/FRE
Ar–t-stlbene 1.13–1.70 4.74–7.11 LIF 1990SEM/BAS
Ar–C6H5NH2 1.29, at 0 K 5.38 Spectroscopy 1993HIN/BER
Ar–C6H5CN !0.57, at 0 K !2.39 LIF 1987KOB/KAJ
Ar–s-tetrazine O1.1, at 0 K O4.6 LIF 1983BRU/KEN
Ar–perylene 1.6–2.0, at 0 K 6.7–8.4 Fluorescence 1989WIT/KAZ
Ar–phenol 1.04G0.04, at 0 K 4.35G1.67 MATI 1999HAI/DES
Ar–furan (1) w0.67, at 0 K w2.82 Spectroscopy (1) 1983KUK

(2) 0.74 3.01 (2) 1995BET/BET
Ar–pyrrole 0.79, at 0 K 3.33 Spectroscopy 1995BET/BET
Ar–pyrazole 0.8, at 0 K 3.4 Spectroscopy 1998CAM/FAV
Ar–pyridine (1) w0.66, at 0 K w2.78 Spectroscopy (1) 1989KLO/EMI

(2) 0.74 3.10 (2) 1995BET/BET
Ar–pyrimidine 1.06, at 0 K 4.44 Spectra 1985ABE/OHY

Ar–fluorene 1.5G0.3, at 0 K 6.1G1.1 Two-photon tech 1983LEU/EVE
Ar–indole (1) !1.5, at 0 K !6.3 (1) PI (1) 1991OUT/BIC

(2) 1.29G0.04 5.39G0.18 (2) MATI (2) 1998BRA/GRE
Ar–1-methylindole 1.29–1.86, at 0 K 5.39–7.78 PI 1993OUT/DEM
Ar–carbazole 1.52, at 0 K 6.34 SEP-R2PI 1995DRO/BUR
Ar–imidazole 0.9, at 0 K 3.7 Spectroscopy 1998CAM/MEL
Ar–dibenzofuran %1.49G0.03, %6.23G0.14 MATI 1997GRE/STU

at 0 K
–dibenzo-p-dioxin 1.51G0.05 6.30G0.22
Kr–Ag2 1.13, at 0 K 4.73 Electron spectra 1991WIL/CHE(b)
Kr–O2 (1) w0.33, at 0 K w1.38 Scattering (1) 1972TUL/LEE

(2) 0.31 1.29 (2) 1998AQU/ASC
Kr–OH (1) 4.91, at 0 K 20.55 Spectroscopy (1) 1993HEA

(2) 5.07 21.20 (2) 1999CAR/MIL
Kr–NO (1) 0.29, at 0 K 1.21 (1) MPI (1) 1989MIL

(2) 0.31 1.32 (2) R2PI (2) 1996BUS/DYK
Kr–SO w0.5, at 0 K w2 Mol. beam 1997AQU/ASC
Kr–SH (1) 3.64, at 0 K 15.23 Spectroscopy (1) 1997YAN/CAR

(2) 3.69 15.46 (2) 1999CAR/MIL
Kr–N2 w0.3, at 0 K w1.3 Mol. beam 1972TUL/LEE
(continued)
BDEs (boldfaceZ
recommended data;
Kr–HF 0.38, at 0 K 1.59 IR 1986FRA/PIN
Kr–ClF 0.83, at 0 K 3.45 Review 1988EVA/CLI
Kr–W(CO)5 !6 !25 Est. by exp. 1992WEL/WEI
Kr–H2O 0.39, at 0 K 1.65 Scattering 2005AQU/COR
Kr–CH4 w0.4, at 0 K w1.6 Scattering 1987LIU/LUZ
Kr–CH2F2 0.45, at 0 K 1.9 Spectroscopy 2005MAR/MEL
Kr–cyclo-C3H6 w1.01, at 0 K w4.24 Spectroscopy 1997XU/JAG
Kr–C6H6 (1) w0.93, at 0 K w3.88 (1) Spectroscopy (1) 1992KLO/EMI

(2) !1.15 4.81 (2) Spectroscopy (2) 1993KRA/NEU
(3) w1.5 w6.1 (3) FT MW (2) 1994BRU/MAK
Kr–p-C6F2H4 2.06, at 0 K 8.61 Spectroscopy 2001BEL/MOU
Kr–carbazole 1.97, at 0 K 8.23 SEP-R2PI 1995DRO/BUR
Kr–fluorene R2.0, at 0 K R8.5 Two-photon tech 1983LEU/EVE
Kr–benzonitrile !0.57, at 0 K !2.39 LIF 1987KOB/KAJ
Kr–propylene oxide 0.7, at 0 K 3 Spectroscopy 2002BLA/MAR

Kr–oxirane 0.7, at 0 K 3.1 Spectroscopy 2002VEL/MIL
Kr–propylene oxide 0.8, at 0 K 3.5 Spectroscopy 2003BLA/MEL
Kr–dibenzo-p-dioxin 1.83, at 0 K 7.66 Spectroscopy 1995GRE/NEU
Kr–2,5-dihydrofuran 0.8, at 0 K 3.5 Spectroscopy 2000VEL/MEL
Kr–pyridine w0.92, at 0 K w3.85 Spectroscopy 1989KLO/EMI
Xe–carbon nanotube 0.4, at 0 K 1.6 NMR 2005CLE/PIE
Xe–Ag2 3.53, at 0 K 14.8 Electron spectra 1992ROB/WIL
Xe–HF 0.52, at 0 K 2.16 IR 1986FRA/PIN
Xe–HCl (1) 1.6, at 0 K 6.7 Spectroscopy (1) 1963RAN/SIT

(2) 0.9 4.0 (2) 1982BOO/EIS
Xe–AuF w24, at 0 K w100 Spectroscopy 2004COO/GER
Xe–O2 0.35, at 0 K 1.47 Scattering 1998AQU/ASC
Xe–SO w0.5, at 0 K w2.2 Scattering 1997AQU/ASC
Xe–ON 0.35, at 0 K 1.47 MPI 1989MIL
Xe–CH2F2 0.4, at 0 K 1.8 Spectroscopy 2006CAM
Xe–Cr(CO)5 9.0G0.9 37.7G3.8 Transient IR 1992WEL/WEI
(continued)
BDEs (boldfaceZ
recommended data;
–Mo(CO)5 8.0G1.0 33.5G4.2
Xe–W(CO)5 (1) 8.2G1.0 34.3G4.2 Transient IR (1) 1992WEL/WEI

(2) 8.4G0.2 35.1G0.8 (2) 1992WEI
Xe–H2O 0.46, at 0 K 1.92 Scattering 2005AQU/COR
Xe–CH4 w0.4, at 0 K w1.7 Scattering 1987LIU/LUZ
Xe–benzene (1) w1.8, at 0 K w7.6 (1) FT MW (1) 1994BRU/MAK

Xe–fluorene R2.1, at 0 K R8.8 Two-photon tech 1983LEU/EVE
Xe–carbazole 2.55, at 0 K 10.66 SEP-R2PI 1995DRO/BUR
Xe–oxirane w0.9, at 0 K w3.9 Spectroscopy 2002VEL/FAV
28.2 Rare gas ion clusters

Table 28.2 BDEs in Rare Gas Ion Clusters
BDEs (boldfaceZ
recommended data;
HeðHeÞC
x –He
xZ0 (1) 58.8 246 (1) Scattering (1) 1974MIT/WEI
(2) 55G1 230.1G4.2 (2) Review (2) 1974GUR/KAR
(3) 54.5 228 (3) HP MS (3) 1990HIR/MOR
(4) 57.286G0.005 239.687G0.019 (4) Spectroscopy (4) 1999COM/GUN
1 (3) 3.73G0.15 15.6G0.6

(5) 4.2 17.6 (5) Ion mobility (5) 1968PAT
2 (3) 0.64G0.15 2.7G0.6
3 (3) 0.48G0.15 2.0G0.6
HeC–H 296 1239 Derived from 1988LIA/BAR

DfH0 in ref.
NeC(He)x–He
xZ0 (1) 3.1G0.2 13.0G0.8 (1) HP MS (1) 1998HIRSHI
1 (1) 1.1G0.2 4.6G0.8
2 (1) 0.3G0.2 1.3G0.8
NeC
2 ðHeÞx –He
xZ0 1.4G0.2 5.9G0.8 HP MS 1998HIRSHI
1 0.5G0.2 2.1G0.8
ArC–He 0.7G0.2 2.9G0.8 HP MS 1998HIRSHI

ArC
2 –Ne 0.2G0.2 0.8G0.8
KrC–He 0.5G0.2 2.1G0.8 HP MS 1998HIRSHI
NeðNeÞC
x –Ne
xZ0 (1) 29.5G1.8 123.4G7.5 (1) PI (1) 1984TRE/POL
(2) 31.4 131.4 (2) HP MS (2) 1990HIR/MOR
(3) 29.94G0.46 125.29G1.93 (3) Spectroscopy (3) 1997RAM/SHE
1 (2) 2.47G0.15 10.3G0.6
2 (2) 0.79G0.15 3.3G0.6
3 (2) 0.77G0.15 3.2G0.6
4 (2) 0.76G0.15 3.2G0.6
5 (2) 0.72G0.15 3.0G0.6
6 (2) 0.69G0.15 2.9G0.6
7 (2) 0.62G0.15 2.6G0.6
ArC–Ne (1) 1.8 7.5 (1) PI (1) 1982DEH/PRA(b)
(continued)
Table 28.2 (continued) BDEs in Rare Gas Ion Clusters
BDEs (boldfaceZ
recommended data;
(2) 1.8G0.2 7.5G0.8 (2) HP MS (2) 1998HIR/SHI
KrC(Ne)x–Ne
xZ0 (1) 1.27 5.3 (1) PI (1) 1982DEH/PRA(b)
(2) 0.9G0.2 3.8G0.8 (2) HP MS (2) 1998HIR/SHI
1 (2) 0.8G0.2 3.3G0.8
KrC
2 –Ne 0.6G0.2 2.5G0.8 HP MS 1998HIR/SHI
XeC–Ne (1) 0.95 4.0 (1) PI (1) 1982DEH/PRA(b)

(2) 1.78 7.44 (2) Fitting cure (2) 1985HAU/MOR
(3) 0.5G0.2 2.1G0.8 (3) HP MS (3) 1998HIR/SHI
ArC(Ar)x–Ar
xZ0 (1) 29.3 122.6 (1) HP MS (1) 1990HIR/MOR
(2) 31.199G0.016 130.535G0.068 (2) ZEKE-PFT (2) 1997SIG/WUE
(3) 31.206G0.017 130.566G0.072 (3) PES (3) 1998SIG/MER
(4) 31.148G0.021 130.323G0.087 (4) TPEPICO (4) 1999ONU/YOS
(5) 31.197G0.034 130.527G0.144 (5) PFI-ZEKE (5) 2002RUP/MER
1 (1) 4.89G0.15 20.4G0.6
(6) 5.05G0.11 21.1G0.5 (6) MS (6) 1979TUR/CON
(7) 5.0 20.9 (7) MS (7) 1979FEH/BRO
(8) 4.15 17.4 (8) PI (8) 1982DEH/PRA
2 (1) 1.67G0.15 7.0G0.6
3 (1) 1.62G0.15 6.8G0.6
(9) 2.97 12.4 (9) KER (9) 1991WOO/STA
(10) 3.99G0.80 16.71G3.34 (10) KER (10) 2001PAR/MAT
4 (1) 1.62G0.15 6.8G0.6
(9) 2.68 11.2
(10) 2.76G0.38 11.56G1.58
5 (1) 1.59G0.15 6.7G0.6
(9) 2.61 10.9
(10) 2.42G0.08 10.12G0.32
6 (1) 1.59G0.15 6.7G0.6
(9) 2.70 11.3
(10) 2.47G0.12 10.34G0.49
7 (1) 1.57G0.15 6.6G0.6
(9) 2.62 10.9

(10) 2.11G0.09 8.84G0.40
8 (1) 1.55G0.15 6.5G0.6
(9) 2.56 10.7
(10) 2.86G0.33 11.98G1.38
9 (1) 1.55G0.15 6.5G0.6
(9) 2.30 9.6
(10) 2.34G0.01 9.79G0.05
10 (9) 2.27 9.5
(10) 2.71G0.19 11.35G0.79
11 (9) 2.23 9.3
(10) 1.98G0.21 8.28G0.90
12 (9) 2.13 8.9
(10) 2.75G0.45 11.50G1.86
13 (9) 1.99 8.3
(10) 2.16G0.26 9.02G1.10
KrC(Ar)x–Ar (1) 14.5G0.5 60.6G1.9 (1) PI (1) 1977NG/TIE

xZ0 (2) 13.1G0.3 54.7G1.4 (2) PI (2) 1982DEH/PRA(b)
(3) 14.0G0.1 58.6G0.4 (3) Emission (3) 1991HOL/HUB
(4) 13.22G0.03 55.31G0.14 (4) TPEPICO (4) 1998MOR/TAN
(5) 8.6G0.2 36.0G0.8 (5) HP MS (5) 1998HIR/SHI
1 (5) 5.0G0.2 20.9G0.8
2 (5) 1.5G0.2 6.3G0.8
3 (5) 1.4G0.2 5.9G0.8
4 (5) 1.3G0.2 5.4G0.8
KrC
2 ðArÞx –Ar
xZ0 (1) 2.2G0.2 9.2G0.8 (1) HP MS (1) 1998HIR/SHI
1 (1) 1.6G0.2 6.7G0.8
2 (1) 1.5G0.2 6.3G0.8
3 (1) 1.4G0.2 5.9G0.8
XeC(Ar)x–Ar (1) 4.1 17.2 (1) PI (1) 1977NG/TIE

xZ0 (2) 5.7G1.2 24G5 (2) SIFT (2) 1980JON/LIS
(3) 4.95G0.28 20.70G1.12 (3) PI (3) 1982DEH/PRA(b)
(4) 5.02G0.09 21.00G0.36 (4) UV/SIS (4) 1986HUB/LIP
(5) 4.9G0.2 20.5G0.8 (5) HP MS (5) 1998HIR/SHI
1 (5) 3.5G0.2 14.6G0.8
2 (5) 2.0G0.2 8.4G0.8
(continued)
BDEs (boldfaceZ
recommended data;
3 (5) 1.9G0.2 7.9G0.8

4 (5) 1.9G0.2 7.9G0.8
5 (5) 1.9G0.2 7.9G0.8
6 (5) 1.8G0.2 7.5G0.8
7 (5) 1.8G0.2 7.5G0.8
XeC
2 ðArÞx –Ar
xZ0 (1) 1.8G0.2 7.5G0.8 (1) HP MS (1) 1998HIR/SHI
1 (1) 1.5G0.2 6.3G0.8
ArC(N2)(Ar)x–Ar
xZ0 (1) 6.0 25.1 (1) HP MS (1) 1997HIR/FUJ
1 (1) 1.7 7.1
2 (1) 1.7 7.1
KrðKrÞC
x –Kr
xZ0 (1) 26.5 110.9 (1) HP MS (1) 1990HIR/MOR
(2) 26.498G0.008 110.867G0.033 (2) PES (2) 2001SIG/HOL
1 (1) 5.57G0.15 23.3G0.6
2 (1) 2.16G0.15 9.0G0.6
3 (1) 2.05G0.15 8.6G0.6
4 (1) 2.04G0.15 8.5G0.6
XeC(Kr)x–Kr
xZ0 (1) 9.4G0.5 39.4G1.9 (1) PI (1) 1977NG/TIE
(2) 9.8G0.3 40.9G1.1 (2) PI (2) 1982DEH/PRA(b)
(3) 9.95G0.02 41.65G0.08 (3) TPEPICO (3) 1999YOS/TAN
(4) 8.1G0.2 33.9G0.8 (4) HP MS (4) 1998HIR/SHI
1 (4) 4.5G0.2 18.8G0.8
2 (4) 2.0G0.2 8.4G0.8
3 (4) 2.0G0.2 8.4G0.8
XeC
2 ðKrÞx –Kr
xZ0 (1) 2.4G0.2 10.0G0.8 (1) HP MS (1) 1998HIR/SHI
1 (1) 1.7G0.2 7.1G0.8
XeðXeÞC
x –Xr
xZ0 23.8 99.6 (1) HP MS (1) 1990HIR/MOR
1 6.03G0.15 25.2G0.6
2 2.64G0.15 11.0G0.6
NeC–H 231.4 968 Derived from 1988LIA/BAR

ArC–H 138.5 580 DfH0 in ref.
KrC–H 110.9 464
XeC–H 84.8 355
ArC–H2 22.4 93.7 FA 1987SHU/PAS
KrC–N 32.7G3.0 136.9G13 CID 1995HAY/FRY

XeC–N 15.9G2.3 66.4G9.6
ArC(N2)x–N2
xZ0 (1) 39.2 164.0 (1) FA (1) 1987SHU/PAS
(2) 30.5 127.6 (2) HP MS (2) 1997HIR/FUJ
1 (2) 7.4 31.0
2 (2) 2.6 10.9
3 (2) 2.1 8.8
ArC(Ar)(N2)x–N2
1 3.0 12.6
2 2.2 9.2
ArC(Ar)2(N2)x–N2
1 2.8 11.7
(continued)
BDEs (boldfaceZ
recommended data;
ArC(Ar)3(N2)–N2 5.0 20.9 HP MS 1997HIR/FUJ
ArC(CO)x–CO
xZ0 (1) 18G4 75G17 (1) PES (1) 1989NOR/GUO
1 (1) 3 13
KrC–CO 24.7G1.8 103.3G7.5 Ion reactions 1993PRA/JOR

–CO2 18.9G0.7 79.1G2.9
HeK–He 48.4 202.5 Derived 1996SMI/YAT
Note: The BDE data with rare gas atom are also arranged in Chapter 11 through Chapter 27.
chapter twenty-nine
Heats of formation of atoms, radicals, and

ions
29.1 Gaseous atoms
Table 29.1 Heats of Formation of Gaseous Atoms
DfH0(A)
Atoms Kcal/mol kJ/mol References
Ac 97.0 406 1981WAG/EVA

Ag 68.1G0.2 284.9G0.8 1984COX/WAG
Al 78.9G1.0 330.0G4.0 1984COX/WAG
Am 67.9 284 1985KLE/WAR
Ar 0.0 0.0 1984COX/WAG
As 72.3G3 302.5G13 1969BRE/ROS
Au 88.0G0.5 368.2G2.1 1969BRE/ROS
B 135.0G1.2 565G5 1984COX/WAG
Ba 42.8G1.2 179.1G5.0 1996NIST
Be 77.4G1.2 324G5 1984COX/WAG
Bi 50.1G0.5 209.6G2.1 1969BRE/ROS
Bk 74.1 310 1985KLE/WAR
Br 26.74G0.03 111.87G0.12 1996NIST
C 171.29G0.11 716.68G0.45 1984COX/WAG
Ca 42.5G0.2 177.8G0.8 1984COX/WAG
Cd 26.72G0.05 111.80G0.20 1984COX/WAG
Ce 100.4G0.5 420.1G2.1 1989CHA/GIN
Cf 46.9 196 1985KLE/WAR
Cl 28.992G0.002 121.301G0.008 1984COX/WAG
Cm 92.2 386 1985KLE/WAR
Co 102.0 426.7 1996NIST
Cr 95.0G1.0 397.48G4.2 1996NIST
Cs 18.28G0.24 76.5G1.0 1984COX/WAG
Cu 80.6G0.3 337.4G1.2 1984COX/WAG
Dy 69.4G0.5 290.4G2.1 1989CHA/GIN
Er 75.6G0.5 316.4G2.1 1989CHA/GIN
(continued)
1453
Table 29.1 (continued) Heats of Formation of Gaseous Atoms
DfH0(A)
Atoms Kcal/mol kJ/mol References
Es 31.8 133 1985KLE/WAR

Eu 42.4G0.5 177.4G2.1 1989CHA/GIN
F 18.97G0.07 79.38G0.30 1984COX/WAG
Fe 99.3G0.3 415.5G1.3 1996NIST
Ga 65.0 271.96 1998CHA
Gd 95.0G0.5 397.5G2.1 1989CHA/GIN
Ge 88.9G0.7 372G3 1984COX/WAG
H 52.103G0.001 217.998G0.006 1984COX/WAG
He 0.0 0.0 1984COX/WAG
Hf 147.8G1.5 618.4G6.3 1996NIST
Hg 14.67G0.01 61.38G0.04 1984COX/WAG
Ho 71.8G0.5 300.6G2.1 1989CHA/GIN
I 25.52G0.01 106.76G0.04 1984COX/WAG
In 58G1 243G4 1969BRE/ROS
Ir 160G1 669G4 1969BRE/ROS
K 21.27G0.2 89.0G0.8 1984COX/WAG
Kr 0.0 0.0 1984COX/WAG
La 103.0G0.5 431.0G2.1 1989CHA/GIN
Li 38.07G0.24 159.3G1.0 1984COX/WAG
Lu 102.2G0.5 427.6G2.1 1989CHA/GIN
Mg 35.16G0.2 147.1G0.8 1984COX/WAG
Mn 67.7G1.0 283.3G4.2 1996NIST
Mo 157.50G0.79 658.98G3.8 1996NIST
N 112.97G0.096 472.68G0.40 1984COX/WAG
Na 25.7G0.2 107.5G0.7 1996NIST
Nb 175.2G2 733.0G8 1996NIST
Nd 78.1G0.5 326.9G2.1 1989CHA/GIN
Ne 0.0 0.0 1984COX/WAG
Ni 102.8G2.0 430.1G8.4 1996NIST
Np 111.1 464.8 1985KLE/WAR
O 59.5672G0.005 249.229G0.002 2006RUS/PIN
Os 188G1.5 787G6.3 1969BRE/ROS
P 75.6G0.2 316.5G1.0 1984COX/WAG
Pa 134.6 563.2 1985KLE/WAR
Pb 46.65G0.2 195.2G0.8 1984COX/WAG
Pd 90.0G0.5 376.6G2.1 1969BRE/ROS
Pr 85.3G0.5 356.9G2.1 1989CHA/GIN
Pt 135.2G0.3 565.7G1.3 1969BRE/ROS
Pu 82.5 345 1985KLE/WAR
Ra 38 159 1981WAG/EVA
Rb 19.3G0.2 80.9G0.8 1984COX/WAG
Re 185G1.5 774G6.3 1969BRE/ROS
Rh 133G1 556G4 1969BRE/ROS
Rn 0.0 0.0 1969BRE/ROS
Heats of Formation of Atoms, Radicals, and Ions 1455
Ru 155.5G1.5 650.5G6.3 1969BRE/ROS

S 66.25 277.17 1984COX/WAG
Sb 63.2G0.6 264.4G2.5 1969BRE/ROS
Sc 90.3G1 377.8G4 1969BRE/ROS
Se 54.3G1 227.2G4 1969BRE/ROS
Si 107.6G2 450G8 1984COX/WAG
Sm 49.4G0.5 206.7G2.1 1989CHA/GIN
Sn 71.99G0.36 301.2G1.5 1984COX/WAG
Sr 39.2G0.4 164.0G1.7 1996NIST
Ta 186.9G0.6 782.0G2.5 1969BRE/ROS
Tb 92.9G0.5 388.7G2.1 1989CHA/GIN
Tc 162 678 1981WAG/EVA
Te 47.0G0.5 196.6G2.1 1969BRE/ROS
Th 143.9G1.4 602G6 1984COX/WAG
Ti 113.0G0.7 473G3 1984COX/WAG
Tl 43.55G0.1 182.21G0.4 1969BRE/ROS
Tm 55.5G0.5 232.2G2.1 1989CHA/GIN
U 127.4G2 533G8 1984COX/WAG
V 123.2G2 515.5G8 1996NIST
W 203.4G1.5 851.0G6.3 1996NIST
Xe 0.0 0.0 1984COX/WAG
Y 101.5G0.5 424.7G2.1 1989CHA/GIN
Yb 37.2G0.5 155.6G2.1 1989CHA/GIN
Zn 31.17G0.10 130.40G0.40 1984COX/WAG
Zr 145.8G2.0 610.0G8.4 1996NIST
29.2 Small inorganic radicals in the gas-phase

29.2.1 Metallic radicals
Table 29.2.1 Heats of Formation of Metallic Radicals
DfH0(R)
Inorganic radicals kcal/mol kJ/mol References
AlH 62G5 260G20 1998CHA

AlH2 66.2G5 277G20 1996GUR/VEY
AlF K63.5G0.8 265.7G3.4 1998CHA
AlF2 K166G10 K695G40 1998CHA
AlHF K43.7G7 K183G30 1996GUR/VEY
AlFCl K117G15 K490G63 1998CHA
AlCl K12.3G1.5 K51.5G6.3 1998CHA
AlCl2 K67G5 K280G20 1998CHA
AlHCl 2.5G7 10.5G30 1996GUR/VEY
AlBr 3.8G3 15.9G12.6 1998CHA
AlBr2 K33.6G12 K141G50 1996GUR/VEY
AlI 16.2G1.0 68G4.2 1998CHA
(continued)
Table 29.2.1 (continued) Heats of Formation of Metallic Radicals
DfH0(R)
AlI2 K8.1G12 K34G50 1996GUR/VEY

AlC 164.8G2.4 689.5G10 1998CHA
AlO 16.0G2 67G8 1998CHA
AlOH K43.0G3 K180G13 1998CHA
Al(OH)2 K121.3G12 K508G50 1996GUR/VEY
Al(OH)Cl K89.3G10 K374G40 1996GUR/VEY
AlN 125G9 523G38 1998CHA
AlS 57.0G2 238.5G8.4 1998CHA
BaH 50.1G1.4 209.5G5.9 1996GUR/VEY
BaOH K53.6G3.6 K224.3G15 1996GUR/VEY
BaF K77.0G2 K322.2G8.4 1998CHA
BaCl K34.0G3 K142.3G13 1998CHA
BaBr K26.4G10 K110.6G42 1998CHA
BaI K10.1G20 K42.4G84 1998CHA
BeH 76.7G6.9 321G29 1998CHA
BeF K40.6G2 K170G8 1998CHA
BeCl 14.5G3 60.7G12.6 1998CHA
BeBr 28.7G10 120G42 1998CHA
BeI 40.6G10 170G42 1998CHA
BeOH K27.4G9 K115G38 1998CHA
BeN 102 427 1998CHA
CaH 54.8G0.5 229.4G2.0 1996GUR/VEY
CaF K65G2 K272G8 1998CHA
CaCl K25G3 K104.6G13 1998CHA
CaBr K11.8G10 K49G42 1998CHA
CaI K1.2G20 K5.0G84 1998CHA
CaOH K46.3G5 K194G21 1998CHA
CoF2 K85.2G3 K356.5G12.6 1998CHA
CoCl 46G3 193G12.6 1998CHA
CoCl2 K22.4G2 K93.7G8 1998CHA
CuF K3.0G4 K12.6G16.7 1998CHA
CuCl 21.8G0.4 91.1G1.7 1998CHA
FeF 11.2G5 46.7G20.9 1998CHA
FeCl 60G20 251G84 1998CHA
GaH 51.2G1.1 214G5 1996GUR/VEY
GaO 35.1G5 147G20 1996GUR/VEY
GaOH K34.3G2.4 K144G10 1996GUR/VEY
GaF K55.6G2.6 K233G11 1996GUR/VEY
%
GaF2 K123.5G12 K517G50 1996GUR/VEY
GaCl K16.7G1 K69.9G4 1996GUR/VEY
%
GaCl2 K52.8G12 K221G50 1996GUR/VEY
GaBr K4.3G2.4 K18G10 1996GUR/VEY
%
GaBr2 K35.6G12 K149G50 1996GUR/VEY
GaI 10.7G0.7 44.9G3 1996GUR/VEY
%
GaI2 K6.9G12 K29G50 1996GUR/VEY
%
GeH3 53.0G2 221.8G8.4 1994BER/ELL
GeF2 K137.2G4.8 K574G20 1991GUR/VEY
%
GeF3 K192.9G12 K807G50 1991GUR/VEY
GeCl 16.5G4.3 69G18 1991GUR/VEY
GeCl2 K40.9G1.2 K171G5 1991GUR/VEY
%
GeCl3 K64.0G12 K268G50 1991GUR/VEY
GeBr 32.8G1.2 137G5 1991GUR/VEY
GeBr2 K14.6G1.2 K61G5 1991GUR/VEY
%
GeBr3 K28.4G12 K119G50 1991GUR/VEY
GeI 50.4G6 211G25 1991GUR/VEY
GeI2 12.0G1 50.2G4 1991GUR/VEY
%
GeI3 10G12 42G50 1991GUR/VEY
HgH 57.0G4 238.5G16.7 1998CHA
HgF 0.7G12 2.9G50 1998CHA
HgCl 18.7G2.3 78.5G9.6 1998CHA
HgBr 24.9G9 104.2G38 1998CHA
HgI 31.9G1.1 133.5G4.6 1998CHA
InH 51.4G0.5 215G2 1996GUR/VEY
InO 34.9G6 146G25 1996GUR/VEY
InOH 29.7G3.6 124.4G15 1996GUR/VEY
InF K46.2G2.4 K193.4G10 1996GUR/VEY
%
InF2 K109.2G12 K457G50 1996GUR/VEY
InCl K17.2G1.2 K72.1G5 1996GUR/VEY
%
InCl2 K48.0G12 K201G50 1996GUR/VEY
InBr K12.9G2 K54.1G8.5 1996GUR/VEY
%
InBr2 K35.8G12 K150G50 1996GUR/VEY
InI 6.3G0.3 26.3G1.4 1996GUR/VEY
%
InI2 K9.3G12 K39G50 1996GUR/VEY
KO 17G10 71.1G41.8 1998CHA
LiO 20.1G5 84.1G20.9 1998CHA
LiN 80G40 334.7G167 1998CHA
MgH 40.4G11.5 169G48 1998CHA
MgF K56.6G2 K236.8G8.4 1998CHA
MgCl K10.4G10 K43.5G42 1998CHA
MgBr K8.4G10 K35.3G41.8 1998CHA
MgI 5.9G10 24.6G41.8 1998CHA
MgN 69G6 288.7G25.1 1998CHA
MoF 67.6G3 282.8G12.6 1998CHA
MoF2 K38.9G4 K162.8G16.7 1998CHA
MoF3 K145G4 K607G16.7 1998CHA
MoF4 K226.5G4 K947.7G16.7 1998CHA
MoF5 K296.7G1 K1241.4G4.2 1998CHA
MoCl4 K92.0G3 K384.9G12.6 1998CHA
MoCl5 K107.0G1 K447.7G4.2 1998CHA
MoBr 109.3G10 457.3G42 1998CHA
MoBr2 40G20 167.4G84 1998CHA
MoBr3 K2.0G7.9 K8.4G33 1998CHA
(continued)
Table 29.2.1 (continued) Heats of Formation of Metallic Radicals
DfH0(R)
MoBr4 K40.9G2 K171.1G8 1998CHA

MoI 119.2G10 498.7G41.8 1998CHA
MoI2 61.6G10 257.7G41.8 1998CHA
MoI3 43.7G10 182.8G41.8 1998CHA
MoI4 29.8G10 124.7G41.8 1998CHA
NaO 20G10 83.7G41.8 1998CHA
NiCl 43.5G1 182.0G4.2 1998CHA
NiS 85.4G4 357.4G16.7 1198CHA
PbH 56.5G4.6 236.2G19.2 1998CHA
PbF K19.2G2.5 K80.3G10.5 1998CHA
PbF2 K104G2 K435.1G8.4 1998CHA
PbF3 K117G14.3 K490G60 1991GUR/VEY
PbCl 3.6G12 15.1G50 1998CHA
PbCl2 K41.6G0.3 K174.1G1.3 1998CHA
PbCl3 K42.5G19 K178G80 1991GUR/VEY
PbBr 16.9G10 70.9G42 1998CHA
PbBr2 K25.0G1.5 K104.4G6.3 1998CHA
PbBr3 K24.9G19 K104G80 1991GUR/VEY
PbI 25.7G9 107.4G37.7 1998CHA
PbI2 K0.76G1 K3.2G4.2 1998CHA
PbI3 5.2G19 22G80 1991GUR/VEY
SnF K22.7G1.7 K95G7.2 1991GUR/VEY
SnF2 K122.1G2.2 K511G9.2 1991GUR/VEY
SnF3 K154.6G12 K647G50 1991GUR/VEY
SnCl 8.4G2.9 35G12 1991GUR/VEY
SnCl2 K48.4G1.7 K202.6G7.1 1991GUR/VEY
SnCl3 K69.8G12 K292G50 1991GUR/VEY
SnBr 18.2G2.9 76G12 1991GUR/VEY
SnBr2 K28.4G0.7 K119G2.8 1991GUR/VEY
SnBr3 K38G12 K159G50 1991GUR/VEY
SnI 41.3G2.9 173G12 1991GUR/VEY
SnI2 K1.9G1 K8.1G4.2 1991GUR/VEY
SnI3 K1.9G12 K8G50 1991GUR/VEY
SrH 52.4G0.7 219.2G3.1 1996GUR/VEY
SrOH K46.4G2.4 K194.1G10 1996GUR/VEY
SrF K70.4G2 K294.6G8.4 1998CHA
SrCl K29.6G2 K123.9G8.4 1998CHA
SrBr K21.3G10 K89.1G42 1998CHA
SrI K7.3G20 K30.5G83.7 1998CHA
TiF K16G10 K66.9G41.8 1998CHA
TiF2 K164.5G10 K688.3G41.8 1998CHA
TiF3 K284.1G10 K1188.7G41.8 1998CHA
TiCl 36.9G10 154.4G41.8 1998CHA
TiCl2 K56.7G4 K237.2G12.6 1998CHA
TiCl3 K128.9G1.5 K539.3G6.3 1998CHA

TiBr 50.8G10 212.5G42 1998CHA
TiBr2 K42.8G5 K179.1G20.9 1998CHA
TiBr3 K89.6G3 K374.9G10.5 1998CHA
TiI 65.5G10 274.1G41.8 1998CHA
TiI2 K4.7G8 K19.7G33.5 1998CHA
TiI3 K35.9G8 K150.2G33.5 1998CHA
TlH 49.0G0.4 204.8G1.5 1996GUR/VEY
TlOH K26.3G7 K110G30 1996GUR/VEY
TlF K44.7G0.8 K186.9G3.4 1996GUR/VEY
TlCl K16.0G0.3 K66.9G1.1 1996GUR/VEY
TlBr K8.2G0.1 K34.3G0.6 1996GUR/VEY
TlI 3.8G0.1 15.9G0.5 1996GUR/VEY
WF 92.3G15 386.2G62.8 1998CHA
WCl 132.3G10 553.5G41.8 1998CHA
WCl2 K3G25 K12.6G105 1998CHA
WBr 140G20 586G84 1998CHA
ZrH 123.4 516.3 1998CHA
ZrF 19.8G5 82.8G20.9 1998CHA
ZrF2 K133.4G5 K558.1G20.9 1998CHA
ZrF3 K264.2G5 K1105.4G21 1998CHA
ZrCl 49.1G5 205.4G20.9 1998CHA
ZrCl2 K44.5G5 K186.2G20.9 1998CHA
ZrCl3 K125.3G5 K524.3G20.9 1998CHA
ZrBr 72G10 301.2G42 1998CHA
ZrBr2 K41.7G10 K174.5G42 1998CHA
ZrBr3 K103 K431 1998CHA
ZrI 141.3G10 591.2G41.8 1998CHA
ZrI2 K15.9 K66.6 1998CHA
ZrI3 K53 K221.8 1998CHA
ZrN 170.5 713.4 1998CHA
29.2.2 Non-metallic radicals

Table 29.2.2 Heats of Formation of Non-Metallic Radicals
DfH0(R)
AsH 40.1 167.8 1988BER

AsH2 40.1G0.3 167.8G1.3 1994BER/ELL
BH 105.8G2 442.7G8.4 1998CHA
BH2 48G15 201G63 1998CHA
BF K27.7G3.3 K116G14 1998CHA
BF2 K124G9 K519G38 1962MAR
BCl 33.8 141.4 1998CHA
(continued)
Table 29.2.2 (continued) Heats of Formation of Non-Metallic Radicals
DfH0(R)
BCl2 K19G3 K79.5G12.6 1998CHA

BBr 56G10 234G42 1998CHA
BBrF K57.5G2.4 K240.6G10 1998CHA
BBrCl K2.5 K10.5 1998CHA
BBr2 15G3.6 62.8G15 1998CHA
BI 72.9G10 305G42 1998CHA
BI2 58G15 243G63 1998CHA
BO 0G2 0G8 1998CHA
BS K166G6 K695G25 1998CHA
BN 59.97G0.32 K250.91G1.55 1998CHA
BC 198.0G9.8 828.4G41 1998CHA
C2 195.3G2 817G8 1994GIN/FIN
C3 198.6G3 831G13 1994GIN/FIN
C4 251.4G3.8 1052G16 1994GIN/FIN
C5 258.4G3.8 1081G16 1994GIN/FIN
C6 313.6G4.3 1312G18 1994GIN/FIN
C7 316.7G4.3 1325G18 1994GIN/FIN
NSi 89G15 372.4G62.8 1998CHA
PH 55.8G8 233.6G33.5 1998CHA
PH2 33.1G0.6 138.5G2.5 1994BER/ELL
PF K12.5G5 K52.3G20.9 1998CHA
PF2 K116.7G5 K488.3G20.9 1998CHA
PCl 30.8 129 1998CHA
PCl2 K13.0G1.4 K54.3G6 1989GUR/VEY
PFCl K67.6G7 K283G30 1989GUR/VEY
PBr 38.9 162.6 1998CHA
HSe 34.6G0.5 144.8G2.1 1994BER/ELL
SP 33.1G10 138.6G41.8 1998CHA
SbH2 51.5G0.6 215.5G2.5 1994BER/ELL
HPO K13.6G10 K57G42 1989GUR/VEY
HTe 37.9G1.2 158.6G5.0 1994BER/ELL
29.3 Organic radicals in the gas-phase

29.3.1 C-centered radicals
Table 29.3.1 Heats of Formation of C-Centered Radicals
DfH0(R)
C-Centered radicals kcal/mol kJ/mol References
CH 142.4G0.1 595.8G0.6 2005RUS/BOG

CH2 (triplet) 93.5G0.4 391.2G1.6 2005RUS/BOG
CH2 (singlet) 102.5G0.4 428.8G1.6 2005RUS/BOG
%
CH3, methyl 35.06G0.1 146.7G0.3 2005RUS/BOG
%
C2H, acetenyl, CHbC% 135.6G0.5 567.4G2.1 1994MOR/ASH
%
C2H2, vinylidene, CH2aC%% 100.3G4 419.7G16.7 1999AHM/PET
%
C2H3, vinyl, CH2aC%H 71.6G0.8 299.6G3.3 1994BER/ELL
%
C2H5, ethyl, CH3C%H2 28.4G0.3 118.8G1.3 1997DOB/BEN
%
C3H3, propargyl, CHbCC%H2 81.0G1.0 339.0G4.2 1996TSA
%
C3H3, CH3CbC% 123G3.0 515G13 1995ROB/POL
%
C3H3, CH2aCaCH%4CHbCC%H2 81.0G1.0 339.0G4.2 1996TSA
%
C3H3, cyclopro-2-en-1-yl 105.1G4.1 439.7G17.2 1980DEF/MCI
%
C3H5, allyl, CH2aCHC%H2 40.9G0.7 171.0G3.0 1996TSA
%
C3H5, CH3CHaC%H 63.8G1.5 267G6 1999TSA
%
C3H5, CH3C%aCH2 55.3 231.4 1990TAK
%
C3H5, cyclopropyl 66.9G2.5 279.9G10.5 1979BAG/BEN
n–C3 H$7 , n-propyl, CH3CH2C%H2 23.9G0.5 100G2 1996TSA
i–C3 H$7 , i-propyl, CH3C%HCH3 21.0G0.7 88G3 1988RUS/SEE(b)
%
n-C4H3, CHbCCHaC%H 130.8 547.3 2005KLI/MIL
%
i-C4H3, CH2aC%CbCH 119.3 499.2 2005KLI/MIL
%
C4H5, CH3CbCC%H2 72.8 304.5 2004JAN/ROS
%
C4H5, CHbCC%HCH3 75.6 316.5 2004JAN/ROS
%
C4H5, %CHaCHCHCH2 87.1 364.4 2004JAN/ROS
%
C4H5, CH2aCHC%CH2 74.9 313.3 2004JAN/ROS
%
C4H7, CH3CHaCHC%H2 34.9G2.0 146G8 1999TSA
%
C4H7, CH2aCHCH2C%H2 46.0 192.5 1984SCH/HOU
%
C4H7, CH2aC(CH3)C%H2 33.0 137.9 2004JAN/ROS
%
C4H7, CH2aCHC%HCH3 32.5 136.2 2004JAN/ROS
%
C4H7, cyclopropylmethyl 51.1G1.6 213.8G6.7 1971MCM/GOL
%
C4H7, cyclobutyl 52.4G1.0 219.2G4.2 1978APP/KLU
n–C4 H$9 , n-butyl, CH3CH2CH2C%H2 18.6G0.5 77.8G2.1 1990WAL/TSA
i–C4 H$9 , i-butyl, (CH3)2CHC%H2 16.7G1.0 70G4 1999TSA
s–C4 H$9 , s-butyl, CH3C%HCH2CH3 16.2G0.5 67.8G2.1 1992SEA/PIL
t–C4 H$9 , t-butyl, (CH3)3C% 11.5G0.7 48G3 1996TSA
%
C5H3, CHbC–CbCC%H2 138.4 579.1 2004ROG/MAT
%
C5H3, (CHbC)2C%H 137.0 573.2 2004ROG/MAT
%
C5H5, CH2aCHCbCC%H2 84.0 351.5 1992STA/KIN
%
C5H5, CH2aCH–C%H–CbCH 89 372.4 1988LIA/BAR
%
C5H5, cyclopenta–1,3-dien-5-yl 65.5G1.7 274.1G7.3 2006NUN/AGA
%
C5H7, CH3CbCC%HCH3 65.2G2.2 272.8G9.2 1981KIN/NGU
(continued)
Table 29.3.1 (continued) Heats of Formation of C-Centered Radicals
DfH0(R)

%
C5H7, CHbCC%HC2H5 66.2G2 277.0G8.4 1976LOS/TRA
%
C5H7, CHbCC%(CH3)2 61.5G2.2 257.3G9.2 1977KIN
%
C5H7, CH2aCHCHaCHC%H2 49G3 205.0G12.6 1982MCM/GOL
%
C5H7, (CH2aCH)2C%H 49.7G1.0 208.0G4.2 1991CLA/CUL
%
C5H7, CH3CHaCaCHC%H2 66.9 278.0 2001TUM/DEN
%
C5H7, spiropentyl 91.0G1.0 380.7G4.2 1971FER/WHI
%
C5H7, cyclopent-1-en-3-yl 38.4G1.0 160.7G4.2 1970FUR/GOL(b)
%
C5H9, cyclopentyl 25.3G1.0 105.9G4.2 1982CAS/GRI
%
C5H9, CH2aCHC%HCH2CH3 26.2G2 109.6G8.4 1976LOS/TRA
%
C5H9, CH3CHaCHC%H(CH3) 22 92 1988LIA/BAR
%
C5H9, CH3CHaC(CH3)C%H2 22.0 92.0 2001TUM/DEN
%
C5H9, CH2aCHC%(CH3)2 20.8G2 87.0G8.4 1970EGG/JOL
%
C5H9, CH2aC(CH3)C%H(CH3) 22.4 93.7 2001TUM/DEN
%
C5H9, CH2aC(C%H2)CH2CH3 27.3 114.2 2001TUM/DEN
%
C5H9, CH2aCH(CH2)2C%H2 42.9 179.5 1996CAM/AUT
nC5 H$11 , CH3CH2CH2CH2C%H2 13 54.4 1988LIA/BAR
%
C5H11, (C2H5)2C%H 11.2 47.0 1996CAM/AUT
%
C5H11, (nC3H7)(CH3)C%H 12 50.2 1988LIA/BAR
%
C5H11, (CH3)3C%CH2 8.7G2 36.4G8.4 1969LAR/HAR
%
C5H11, (C2H5)(CH3)2C% 6.9 29 1999TSA
%
C6H5, phenyl 78.9G0.8 330.1G3.3 1994BER/ELL
%
C6H7, cyclohexa-1,3-dien-5-yl 47.6 199.2 1991STE/BRO
%
C6H7, cyclohexa-1,4-dien-3-yl 48.2G1.2 201.7G5.0 1986TSA
%
C6H9, CH3CbCC%(CH3)2 53.0G2.2 221.8G9.2 1981KIN/NGU
%
C6H9, (CH2aCH)2C%(CH3) 46.3 193.7 1999LAA/MUL
%
C6H9, cyclohexa-1-en-3-yl 28.6 119.7 1988BOR/CHE
%
C6H11, CH2aCH(CH2)3C%H2 37.9 158.6 1996CAM/AUT
%
C6H11, CH2aCHC%H(CH2)2CH3 21.3 89.0 2001TUM/DEN
%
C6H11, CH2aC(CH3)C%(CH3)2 9.0G1.5 37.7G6.3 1973ROD/WU
%
C6H11, (CH3)2CaC(CH3)C%H2 9.5G1.5 39.7G6.3 1973ROD/WU
%
C6H11, (CH3)2CaCHC%H(CH3) 11.3 47.3 2001TUM/DEN
%
C6H11, (Z)-CH3CHaCHC%(CH3)2 13.0 54.4 2001TUM/DEN
%
C6H11, cyclohexyl 18G1.5 75.3G6.3 1981TSA
nC6 H$13 , CH3CH2CH2CH2CH2C%H2 8 33.5 1988LIA/BAR
%
C6H13, (nC4H9)(CH3)C%H 7 29.3 1988LIA/BAR
%
C6H13, 2-methyl-2-pentyl 0.8G2 3.3G8.4 1983SER/GOR
%
C6H13, 3-methyl-3-pentyl 3.4 14.2 1996CAM/AUT
%
C6H13, 2,3-dimethyl-2-butyl 0.7G2.4 3.1G10 2000KIR/KOR
%
C7H3, (CHbC)3C% 187.5 784.5 1990TAK
%
C7H7, benzyl, C6H5C%H2 49.7G0.4 208.0G1.7 2005RUS/BOG
%
C7H7, quadricyclolan-5-yl 138.3G1.3 578.6G5.4 1996LEE/DEP
%
C7H7, quadricyclolan-4-yl 140.4G1.3 587.4G5.4 1996LEE/DEP
%
C7H7, norborna-2,5-dien-7-yl 122.3G1.9 511.7G7.9 1996LEE/DEP
%
C7H7, cyclohepta-1,3,5-trien-7-yl 68.2G3 285.3G12.6 1980DEF/MCI
%
C7H9, CH2aCH(CHaCH)2CC%H2 60 251.0 1996CAM/AUT
%
C7H9, (CH2aCH)3C% 65.5 274.0 1990TAK
%
C7H11, norborn-1-yl 32.6G2.5 136.4G10.5 1970ONE/BAG
%
C7H11, cycloheptenyl 28.5 119.2 2001TUM/DEN
%
C7H13, cycloheptyl 12.1G1 50.6G4.2 1971FER/WHI
%
C7H13, cyclo-[C%(CH3)(CH2)5] 5.4 22.6 2001TUM/DEN
%
C7H13, cyclo-[C%(CH2CH3)(CH2)4] 11.2 47.0 2001TUM/DEN
%
C7H15, (nC5H11)(CH3)CH% 2 8.4 1988LIA/BAR
%
C7H15, (CH3)2CHCHC%(CH3)2 K5.2G1.2 K21.8G5.2 2004SER/DIN
%
C8H7, cubyl 198.6G4 831.0G16.7 1997HAR/EMR
%
C8H7, C6H5C%aCH2 74 309.6 1997PON/TAK
%
C8H7, C6H5CHaCH% 92.5 387.0 1997PON/TAK
%
C8H9, C6H5C%H(CH3) 42.0G1.8 175.7G7.5 2004TOK/LIN
%
C8H9, C6H5CH2C%H2 56.4G1.8 236.0G7.5 2004TOK/LIN
%
C8H9, p-CH3C6H4C%H2 40 167.4 1986HAY/KRU
%
C8H9, m-CH3C6H4C%H2 40 167.4 1986HAY/KRU
%
C8H9, o-CH3C6H4C%H2 40 167.4 1986HAY/KRU
%
C8H9, 1-vinyl-cyclohexa-2,4-dienyl 59.2G3.4 247.7G14.2 2004TOK/LIN
%
%
%
%
C8H13, CH2aCHCHa 31.2 130.5 2001TUM/DEN
CHC%H(CH2)2CH3
%
C8H13, CH2aCHC%H(CH2)3CHa 31.2 130.5 2001TUM/DEN
CH2
%
C8H13, bicyclooct-1-yl 22.0 92.0 1971DAN/TIP
%
C8H15, CH2aCHC%H(CH2)4CH3 11.9 49.8 2001TUM/DEN
%
C8H15, (E)-CH3CHaC%(CH2)4CH3 7.1 29.7 2001TUM/DEN
%
C8H15, (Z)-(CH3)2C%CHa 2.2 9.2 2001TUM/DEN
CHCH(CH3)2
%
C8H15, cyclooctanyl 14.2 59.4 2001TUM/DEN
%
C8H15, cyclo-[C%(CH2CH3)(CH2)5] 2.4 10.0 2001TUM/DEN
%
C8H15, (E)-cyclo- K2.1 K8.8 2001TUM/DEM
[C%(CH3)CH(CH3)(CH2)4]
%
C8H15, (Z)-cyclo- 1.5 6.3 2001TUM/DEM
[C%(CH3)CH(CH3)(CH2)4]
%
C9H7, indenyl 71 297.1 1982MCM/GOL
%
C9H9, indanyl-1 48.8G2 204.2G8.4 2000DEN/DEN
%
C9H11, 2,6-dimethylbenzyl 29.8 124.7 1980BAR/STE
%
%
%
C9H11, C6H5C%(CH3)2 32.0G1.0 133.9G4.2 1997LAA/BOR
%
C9H11, o-%C6H4C2H5 66.8G1.8 279.5G7.5 2004TOK/LIN
%
C9H17, cyclononanyl 12.5 52.3 2001TUM/DEN
%
C10H7, naphth-1-yl 96.0G1.3 401.7G5.4 2000REE/KAS
%
C10H7, naphth-2-yl 95.7G1.4 400.4G5.9 2000REE/KAS
%
C10H11, tetralin-1-yl 37G1.2 154.8G5.0 1997LAA/MUL
%
C10H13, 1-phenyl-but-4-yl 45.9 192.0 1989FRE/OLM
(continued)
DfH0(R)

%
C10H13, (C6H5CH2)(C2H5)C%H 44.1 184.5 1989FRE/OLM
%
C10H13, (C6H5CH2CH2)(CH3)C%H 44.1 184.5 1989FRE/OLM
%
C10H13, (C6H5C%HCH2CH2CH3 32.2 134.7 1989FRE/OLM
%
C10H15, 1-adamantyl 12.3 51.5 1986KRU/BEA
%
C10H15, 2-adamantyl 14.8 61.9 1986KRU/BEA
%
C10H19, cyclodecanyl 7.7 32.2 2001TUM/DEN
%
C11H9, 1-naphthylmethyl 60.4 252.7 1982MCM/GOL
%
C11H21, cycloundecanyl 1.8 7.5 2001TUM/DEN
%
C12H23, cyclododecanyl K9.2 K38.5 2001TUM/DEN
%
C13H9, 9-fluorenyl 71.1 297.5 1994RAK/VER
%
C13H11, (C6H5)2C%H 72.2G1.0 302.1G4.2 1991PAR/HAN
%
C13H11, 9-methyl-9-fluorenyl 64.1 268.2 1994RAK/VER
%
C14H11, 9,10-dihydroanthracen-9-yl 62.4 261.0 1991STE/BRO
%
C15H11, 9-anthracenylmethyl 80.7 337.6 1991PAK/HAN
%
C15H11, 9-phenanthrenylmethyl 74.4 311.3 1982MCM/GOL
%
C16H31, CH2aCHC%H(CH2)12CH3 K28.4 K118.8 2001TUM/DEN
%
C19H15, trityl, (C6H5)3C% 93.7G2 392.0G8.4 1991PAR/HAN
%
C35H25, 16.1 67.4 1995ROT/HUN
pentamethylcyclopentadienyl
CF 61.0G2 255.2G8 1998CHA
CF2 K43.5G1.5 K182.0G6.3 1998CHA
FC%(O) K38.5G2 K161.2G8.4 1997KNY/BEN
CHF 34.2G3.0 143.0G12.6 1997POU/PAU
CClF 7.4G3.2 31.0G13.4 1997POU/PAU
CCl 105.9G3.1 443.1G13.0 1999JES/SQU
CCl2 54.0 226 2000BOR/ING
ClC%(O) K5.2G0.6 K21.8G2.5 1990NIC/KRE
CHCl 78.0G2.0 326.4G8.4 1997POU/PAU
CClBr 63.8 267 2000BOR/ING
CBr 122G15 510G63 1998CHA
CHBr 89.2G4.3 373G18 2000BOR/ING
CBr2 82.1 343.5 2004ORE/IRO
CI 136.3G8.4 570G35 1991GUR/VEY
CI2 112G14 468G60 1991GUV/VEY
%
CF3 K111.3G0.5 K465.7G2.1 1998RUS/MIC
%
CHF2 K57.1G1 K238.9G4.2 1983PIC/ROD
%
CH2F K7.6G1 K31.8G4.2 1983PIC/ROD
%
CClF2 K66.7G2 K279.0G8.4 1992MIY/TSC
%
CCl2F K21.3G2 K89.0G8.4 1992MIY/TSC
%
CBrClF K8.5G1.5 K35.5G6.3 2003OWE/NAU
%
CHClF K14.5G2.4 K60.7G10.0 1987TSC/PAD
%
CBrF2 K53.7G3 K224.7G12.6 1993BAU/HUB
%
CCl3 17.0G0.6 71.1G2.5 1991HUD/JON
%
CHCl2 20.8G0.4 87.1G1.6 2006LAG/BAE(b)
%
CH2Cl 28.0G0.7 117.2G2.9 1996SEE
%
CHBrCl 33.5G1.0 140G4 2006IMR/KOV
%
CHBr2 45.0G2.2 188.3G9.2 1987TSC/PAD
%
CBr2Cl 39G2 163G8 2000SEE
%
CBrCl2 29.6G2 124G8 2000SEE
%
CBr3 51.3 214.8 2004JAN/ROS
%
CH2Br 40.9G0.6 171.1G2.7 2003SEE
%
CI3 101.6G0.7 424.9G2.8 2002SEE
%
CHI2 75.1G0.8 314.4G3.3 2002SEE
%
CH2I 54.9G2 229.7G8.4 1988HOL/LOS
%
C2F, FCbC% 110G5 460.0G21.0 1996ZAR/WES
%
C2Cl, ClCbC% 135.7G6.2 568G26 2002ZHU/BOZ(b)
%
C2F3, CF2aC%F K45.9G2 K192.0G8.4 1983SPY/SAU
%
C2F2H, CF2aC%H K22.2G2 K92.9G8.4 1981STE/ROW
%
C2F2H, CHFaC%F K12.1G2 K50.6G8.4 1981STE/ROW
%
CCl2H, CHClaC%Cl 56.1G2 234.7G8.4 1981STE/ROW
%
CClH2, CH2aC%Cl O60 O251 1989RUS/SEN
%
C2F5, CF3C%F2 K213.4G1.0 K892.9G4.2 1981EVE/WHI
%
C2HF4, CF3C%HF K162.7G2.3 K680.8G9.6 1983MAR/PAR
%
C2HF4, CHF2C%F2 K158.9 K664.8 1996ZAR/WES
%
C2H2F3, CF3C%H2 K123.6G2 K517.1G8.4 1974WU/ROD
%
C2H2F3, CHF2C%HF K109 K456.0 1996ZAR/WES
%
C2H2F3, CH2FC%F2 K107.5 K449.8 1996ZAR/WES
%
C2H2F2Cl, CF2ClC%H2 K74.3G1.7 K310.9G7.0 1994PAD/CHE
%
C2H3F2, CH3C%F2 K72.3G2 K302.5G8.4 1977PIC/ROD
%
C2H3F2, CHF2C%H2 K68.3 K285.8 1996ZAR/WES
%
C2H3F2, CH2FC%HF K57.0 K238.5 1996ZAR/WES
%
C2H4F, CH3C%HF K16.8G2 K70.3G8.4 1996MIY/OZA
%
C2H4F, CH2FC%H2 K14.2G2 K59.4G8.4 1996MIY/OZA
%
C2F4Cl, CF2ClC%F2 K164 K686.0 1972FOO/TAI
%
C2F4Cl, CF3C%FCl K174.0 K728.0 2000YAM/FAN
%
C2F3Cl2, CF3C%Cl2 K134.8 K564.0 2000YAM/FAN
%
C2H2F2Cl, CClF2C%H2 K75.3G1.4 K315.2G6 2005GIA
%
C2HF3Cl, CClF2C%HF K107.7G3 K450.6G12.6 1998SKO/DYM
%
C2F3ClBr, CF3C%ClBr K120.5G2 K504.2G8.4 1982MCM/GOL
%
C2Cl, ClCbC% 127.6G12 534G50 1991GUR/VEY
%
C2Cl3, CCl2aC%Cl 45.4G12 190G50 1991GUR/VEY
%
C2Cl5, CCl3C%Cl2 8.4G1.3 35.1G5.4 1969FRA/HUY
%
C2HCl4, CHCl2C%Cl2 5.6G2 23.4G8.4 1976LEW
%
C2HCl4, CCl3C%HCl 12.2 51.0 1994FRE/KAB
%
C2H2Cl, C%HCHCl 65.7G0.5 274.8G2.0 2005GAO/ALE
%
C2H2Cl3, CH2ClC%Cl2 6.3 26.4 1994FRE/KAB
%
C2H2Cl3, CHCl2C%HCl 11.1 46.4 1994FRE/KAB
%
C2H2Cl3, CCl3C%H2 17.1G2 71.5G8 1988ROD/JER
%
C2H3Cl2, CH3C%Cl2 10.2G0.4 42.5G1.7 1996SEE
%
C2H3Cl2, CH2ClC%ClH 15.6 65.3 1994FRE/KAB
%
C2H3Cl2, CHCl2C%H2 21.5G0.2 90.1G0.8 2000SEE
%
C2H4Cl, CH3C%HCl 18.3G0.4 76.5G1.6 1996SEE
(continued)
DfH0(R)

%
C2H4Cl, CH2ClC%H2 22.2G0.6 93.0G2.4 1998SEE
%
C2H3Br2, CH3C%Br2 33.5G1.3 140.2G5.4 1999MIY/TSC
%
C2H4Br, BrCH2C%H2 32.3 135.1 1988HOL/LOS
%
C2H4Br, CH3C%HBr 30.3 126.8 1990MIY/TSC
%
C2Br, CBrC% 149.1 623.8 2004ORE/IRO
%
C2Br3, CBr2C%Br 92.1 385.3 2004ORE/IRO
%
C2Br5, CBr3C%Br2 67.7 283.3 2004ORE/IRO
%
C3H6Cl, CH3CH2C%HCl 13.5 56.6 1998SEE
%
C3H6Cl, CH3C%ClCH3 7.1G0.2 29.9G0.6 2000SEE
%
C3H6Br, C%H2CH2CH2Br 28.7G0.3 120.1G1.3 2003GAR
%
C3H6Br, CH3C%HCH2Br 23.1G1.4 96.7G5.9 2003GAR
%
C3H6Br, CH3CH2C%HBr 25.7G0.6 107.5G2.5 2003GAR
%
C5H2Cl3, 1,3,4- 36.8G5 154G21 2003BUR/KHA
trichlorocyclopentadiene-1-yl
%
C6F5 K130.9G2 K547.7G8.4 1974KRE/PRI
%
CH3O, HOC%H2 K4.06G0.2 K17.0G0.7 2005RUS/BOG
%
CH2ClO, HOC%ClH K14.5G1.8 K60.7G7.5 2001SUN/BOZ
%
CHCl2O, HOC%Cl2 K22.5G1.8 K94.1G7.5 2001SUN/BOZ
%
CH2ClO, ClOC%H2 32.4G2.2 135.6G9.2 2001BOZ/JUN
%
CH2BrO, BrOC%H2 36.1G3.9 151G16 2000ESP
%
C2H3O, C%HaCHOH 28.9G2.6 121G11 1997FUL/HAM
%
C2H3O, C%H2CHO 3.1G0.5 13.0G2 2006HAS/DEL
%
C2H4O, CH3C%%OH, 16G4 66.9G16.7 2005LIU/GRO
methylhydroxycarbene
%
C2H5O, CH3C%HOH K12.9 K54.0 2004JAN/ROS
%
C2H4ClO, CH3C%ClOH K25.9G2.1 K108.4G8.8 2001SUN/BOZ(b)
%
C2H4ClO, C%H2CHClOH K17.5G2.1 K73.2G8.8 2001SUN/BOZ(b)
%
C2H3Cl2O, C%H2CCl2OH K23.8G2.1 K99.6G8.8 2001SUN/BOZ(b)
%
C2H5O, C%H2CH2OH K7.5G1.7 K31G7 1997FUL/HAM
%
C2H3O, oxiran-2-yl 35.8G1.5 149.8G6.3 1984BAL/KEE
%
C3H5O, CH2aCHC%HOH 0G2 0G8.4 1973ALF/GOL
%
C3H5O, %CH2C(CH3)OH K7.9G0.5 K32.9G2 2006HAS/DEL
%
C3H7O, CH3CH2C%HOH K19.4G1.0 K81G4 1999TSA
%
C3H7O, (CH3)C%HCH2OH K18.8G2 K78.7G8.4 1992HOL
%
C3H7O, HOCH2CH2C%H2 K16.0G2 K66.9G8.4 1992HOL
%
C3H7O, (CH3)2C%OH K23.0 K96.4 2004JAN/ROS
%
C3H7O, %CH2CH(OH)CH3 K15.0G2.8 K62.8G11.7 2002SUN/BOZ
%
C4H9O, %CH2C(OH)(CH3)2 K35.2G2 K147.3G8.4 1992HOL
%
C6H5O, 6-oxocyclohexa-1,3-dien-1- 58.9 246.6 2003JAN/FAB
yl
%
C2H5O3, C%H2OCH2OOH K26.2G1 109.6G4.2 2000YAM/BOZ
PhCH%OH 7G2 29.3G8.4 2005BRA/GAL
Ph2C%OH 36.4G1.5 152.3G6.3 1992ARN/CAL
%
C2H5O, CH3OC%H2 0G1 0G4.2 1999ATK/BAU
%
C3H7O, CH3OC%HCH3 K13.8G2 K57.7G8.4 1984HOL/LOS
%
C3H7O, CH3CH2OC%H2 K10.8G2 K45.2G8.4 1991HOL/LOS
%
C3H7O, C%H2CH2OCH3 K1.7G1.0 K7.1G4.2 2003CHE/BOZ
%
C4H9O, (CH3)2CHOC%H2 K16.8G1.7 K70.3G7.1 2003CHE/BOZ
%
C4H9O, CH3CH2OC%HCH3 K19.4G1.0 K81.2G4.2 1986BUR/MAJ
%
C4H9O, C%H2CH(CH3)OCH3 K10.1G0.9 K42.3G3.8 2003CHE/BOZ
%
C4H9O, (CH3)2C%OCH3 K17.3G2.4 K72.4G10 2003CHE/BOZ
%
C5H11O, (CH3)3COC%H2 K24.5G2.0 K102.5G8.4 2003CHE/BOZ
%
C2H5O2, HOCH2C%HOH K52.6G2 K220.1G8.4 1992HOL
C%HaCaO, ketenyl 42.4G2.1 177.5G8.8 1983OAK/JON
HC%(O) 10.2G0.1 42.5G0.5 1996TER/KAB
FC%(O) K38.5G1.9 K161.2G8.1 1997KNY/BEN
C%CO 91.1G0.5 381.2G2.1 1998CHO/MOR
CH3C%(O) K2.5G0.4 K10.3G1.8 2005RUS/BOG
CF3C%(O) K145.5 K608.7 2004JAN/ROS
CH2ClC%(O) K5G3 K21G12.6 2002ZHU/BOZ
CHCl2C%(O) K4.2G5.5 K17.6G23 2002ZHU/BOZ
CCl3C%(O) K4.7 K19.7 2004JAN/ROS
CH3CH2C%(O) K7.6G0.8 K31.7G3.4 2005KER/FOG
CH2CHC%(O) 21.2 88.5 2004JAN/ROS
CH2C(CH3)C%(O) 14G4 58.6G16.7 2000VIS/BER
CH3CH2CH2C%(O) K13G1 54.4G4.2 2000VIS/BER
(CH3)2CHC%(O) K15.3G0.9 K64.0G3.8 2000VIS/BER
(CH3)3CC%(O) K24.6G1.5 K102.9G6.3 2000VIS/BER
C6H5C%(O) 27.8G2.6 116.3G10.9 1989SIM/GRI
HCðOÞCH$2 2.5G2.2 10.5G9.2 1994BER/ELL
ClCðOÞCH$2 K12.6G3.1 K52.7G13 2002ZHU/BOZ
E-C%HClC(O)H K6.5G2.5 K27.2G10.5 2002ZHU/BOZ
Z-C%HClC(O)H K5.6G2.5 K23.4G10.5 2002ZHU/BOZ
C%Cl2C(O)H K13.3G3.4 K55.6G14.2 2002ZHU/BOZ
E-C%HClC(O)Cl K21.2G3.6 K88.7G15.1 2002ZHU/BOZ
C%H2C(O)F K65.3G1.4 K273.0G5.8 2004HOO/GAS
Z-C%HClC(O)Cl K20.3G3.3 K84.9G13.8 2002ZHU/BOZ
C%Cl2C(O)Cl K24.3G3.7 K101.7G15.5 2002ZHU/BOZ
CH3 CðOÞCH$2 K8.1G0.7 K34G3 2001BOU/CHA
CH3C(O)C%HCH3 K16.8G1.7 K70.3G7.1 1970SOL/BEN
CH3C(O)C%aCH2 27.1 113.4 1990TAK
C2H5C(O)C%HCH3 K25.7G5 K107.5G20.9 1990BOR/HAR
iPrC(O)C%(CH3)2 K41.5G5 K173.6G20.9 1990BOR/HAR
tC4H9C(O)C%H2 K27.6G3 K115.5G12.6 1990BOR/HAR
PhC(O)C%H2 20.2G3 84.5G12.6 1990BOR/HAR
PhC(O)C%HCH3 9.9G5 41.4G20.9 1990BOR/HAR
PhC%HC(O)CH2Ph 32.1G3 134.3G20.9 1990BOR/HAR
PhC(O)OC%H2 K16.7 K69.9 1970SOL/BEN
%
C(O)OH-trans RK46.5G0.7 RK194.6G2.9 2000RUS/LIT
%
C(O)OH-cis K52.5 K219.7 1989RUS/SCH(b)
%
C(O)OCH3 K38.6 K161.5 2004JAN/ROS
C%H2C(O)OH K59.5G2.9 K248.9G12.0 1994WEN/SQU(b)
(continued)
DfH0(R)
C%H(CH3)C(O)OH K70.0G0.7 K293G3 2002LAG/DIO

C%H2C(O)OCH3 K56.6G2 K236.8G8.4 1991HOL/LOS
C%H2C(O)OCH2CH3 K62.2G3 K260.2G12.6 1995BOR/ZHA
C%H2C(O)OPh K6.7 K28.0 1973ALF/GOL
%
C4H7O, tetrahydrofuran-2-yl K4.3G1.5 K18.0G6.3 1982MCM/GOL
%
C4H8O, cyclopentanon-2-yl K10G3 K41.8G12.6 1991BOR/GAL
%
C4H7O2, 1,4-dioxan-2-yl K31.5G3 K131.8G12.6 2000KRA/CIR
%
C7H5O2, 2-C(O)OH–%C6H4 K7.9 K33.0 1998NAS/SQU
%
%
%
CH3O2, C%H2OOH 15.8 66.1 2004JAN/ROS
%
C2H5O2, C%H2CH2OOH 11.0G1.1 46.0G4.6 2000CHE/BOZ
%
C2H5O2, CH3CH%OOH 6.4 26.9 2004JAN/ROS
%
C3H7O2, CH3CH%CH2OOH 2.6G1.3 10.9G5.4 2000CHE/BOZ
%
C3H7O2, C%H2CH(OOH)CH3 0.7G1.5 2.9G6.3 2000CHE/BOZ
%
C4H9O2, (CH3)2C%CH2OOH K7.2G1.3 K30.1G5.4 2000CHE/BOZ
%
C4H9O2, C%H2C(CH3)2OOH K6.4G1.3 K26.8G5.4 2000CHE/BOZ
%
C2H3O3, C%H2C(O)OOH K33.0 K137.9 2002LEE/CHE
%
C6H5O, 2,4-cyclohexadiene-1-one- 27.0 113.0 2003BUR/KHA
2-yl
%
C6H4ClO, 2,5-cyclohexadiene-2- 16.2G15 67.8G63 2003BUR/KHA
chloro-1-one-4-yl
%
C6H4ClO, 2,4-cyclohexadiene-6- 55G30 230G126 2003BUR/KHA
chloro-1-one-2-yl
%
C6H4ClO, 5-chloro-6-oxocyclohexa- 54.0 225.9 2003JAN/FAB
1,3-dien-1-yl
%
C6H4ClO, 3-chloro-4-oxo- 7.3 30.6 2003JAN/FAB
cyclohexa-2,5-dien-1-yl
%
C6HCl3OH, 2,4,6-trichlorophenol- 16.9G5 70.7G21 2003BUR/KHA
5-yl
%
C6HCl3OH, 2,4.6-trichloro-3- 24.3 101.5 2003JAN/FAB
hydrophynyl
%
C6H2Cl3O2, 2,4.6-trichlorobicyclo- K2.1 K8.7 2003BUR/KHA
2-hexene-1-one-4,6-peroxy-5-yl
C6 H2 Cl3 O$3 , 1,3,5-trichloro-4-oxo- 31.4 131.4 2003JAN/FAB
6,7-dioxabicyclo[3.2.1]-oct-2-en-8-
yl
%
C12H5Cl4O3, 1,3-dichloro-1-ol-2-yl- K103.4G5 K432.6G21 2003BUR/KHA
3,5-hexadiene-p-dioxin-6,8-
dichlorobenzene radical
%
C12H5Cl4O3, 1,3-dichloro-2-ol-3-yl- K77G15 K322G63 2003BUR/KHA
1,4-hexadiene-p-dioxin-6,8-
dichlorobenzene radical
%
CHN2 118.2 494.5 1996FUL/HIP
%
CH2NaCH2 63G3 263.6G12.6 1993LAZ/PAP
%
CH2NH2 36.3G2 151.9G8.4 1983BUR/CAS
CH3C%HNH2 26.7G2 111.7G8.4 1983BUR/CAS
(CH3)2C%NH2 16.7G2 69.9G8.4 1983BUR/CAS
%
CH2NHCH3 37.4 156.6 2004JAN/ROS
%
CH2N(CH3)2 35.4 148.0 2004JAN/ROS
(C2H5)2NC%HCH3 16.4G0.5 68.6G2.1 1990DOM/DIN
%
CH2N(CH3)Ph 63.6G3 266.0G12.6 1999DOM/DIN
%
CN 105.0G0.7 439.3G2.9 2000COO/LAN
%
CH2CN 60.4G1 252.6G4 2000LAF/SZA
CH3C%HCN 54.2G3 226.7G12.6 1999SEN/IKE
%
CH2CH2CN 58.7G3 245.4G12.6 1999SEN/IKE
(CH3)2C%CN 45.5G3 190.4G12.6 1998BRO/BEC
Ph(CH3)C%CN 59.4G2 248.5G8.4 1982MEO
NCC%HCH2CN 91.3G3 381.8G12.6 1999SEN/IKE
%
CH2NC 80G4 334.7G16.7 2002NIM/DAV
%
C(O)NC 50.2G2.4 210.0G10 2001DOR/NOV
%
C(O)NH2 K3.6G1 K15.1G4 2003NASA/JPL
C%NN 136G5 569G21 1998CLI/WEN(b)
HC%NN 110G2 460G8 1998CLI/WEN(b)
H2C%NN 69.9G0.5 292.5G2.1 2000BIS/HOO
%
CH2NO 37.5G1 157G4 2003NASA/JPL
%
CH2NO2 27.5G3 115.1G12.6 1994BOR/SAT
CH3C%HNO2 14.8G3 61.9G12.6 1994BOR/SAT
(CH3)2C%NO2 1.5G3 6.3G12.6 1994BOR/SAT
PhC%HNO2 40.4G3 169.0G12.6 1995BOR/ZHA(c)
%
C6H6N, 3-NH2–C6H4 76.5 320.1 1975MAT/NAS
%
C6H6N, 4-NH2–C6H4 78.3 327.8 1975MAT/NAS
%
C6H4NO2, 3-NO2–C6H4 81.4G2.4 340.6G10.0 1985GON/LAR
%
C6H4NO2, 4-NO2–C6H4 72.3 302.7 1975MAT/NAS
%
C6H4CH3, 2-Me–C6H4 75.3G2.5 315.1G10.5 1985GON/LAR
%
C6H4CH3, 4-Me–C6H4 70.9G2.3 296.6G9.6 1985GON/LAR
%
C6H3N2O4, 3,5-(NO2)2–C6H3 73.0 305.4 1975MAT/NAS
%
C7H6NO2, 2-Me-4-NO2–C6H3 70.6G2 295.4G8.4 1985GON/LAR
%
C4H3N, pyrrol-2-yl 92.2 385.8 1994BLA/NOR
%
C4H3N, pyrrol-3-yl 92.2 385.8 1994BLA/NOR
%
C4H8N, pyrrolidin-2-yl 34.1G3 142.7G12.6 2000KRA/CIR
%
C5H4N, pyrid-2-yl 86.5 362.0 1997KIE/ZHA
%
%
%
C4H7N2, piperad-2-yl 28.6 119.7 1997WAY/CLA
%
C4H3N2, pyrazin-2-yl 97.8G3 409.2G12.6 1997KIE/ZHA
%
C4H3N2, pyrimid-2-yl 92.7G3 388.0G12.6 1997KIE/ZHA
%
%
%
CH(NO2)2 33.2 139.1 2001ORL
%
C(NO2)3 48.1 201.2 2001ORL
%
CH2C(NO2)3 36.0 150.6 2001MIR/KOS
(continued)
DfH0(R)

%
CH2CH(NO2)2 24.7 103.3 2001MIR/KOS
%
CH2CH2C(NO2)3 32.0 133.9 2001MIR/KOS
%
CH2N(NO2)CH2C(NO2)3 41.5 173.6 2001MIR/KOS
%
CH2N(NO2)CH2CH(NO2)2 30.2 126.4 2001MIR/KOS
%
CH2N(NO2)(CH2)2(NO2) 47.2 197.5 2001MIR/KOS
NCH2C(NO2)3
%
CH2N(NO2)(CH2)2(NO2) 35.9 150.2 2001MIR/KOS
NCH2CH(NO2)2
(NO2)3CCH2N(NO2) 46.9 196.2 2001MIR/KOS
CH2C%H–N(NO2)CH2C(NO2)3
(NO2)2CHCH2N(NO2) 24.3 101.7 2001MIR/KOS
CH2C%H–N(NO2)CH2CH(NO2)2
%
CH2CH2N(NO2)CH2C(NO2)3 40.3 168.6 2001MIR/KOS
%
CH2CH2N(NO2)CH2CH(NO2)2 29.0 121.3 2001MIR/KOS
%
CH2CH2ONO2 9.0 37.7 2001KOS/MIR
%
CH2(ONO2)CHCH2ONO2 K6.1 K25.5 2001KOS/MIR
%
CH(CH2ONO2)2 K13.7 K57.3 2001KOS/MIR
%
CH2C(CH2ONO2)3 K37.8 K158.2 2001KOS/MIR
%
CH2NHNO2 39.4 164.8 2001KOS/MIR
%
CH2N(NO2)CH3 35.7 149.4 2001KOS/MIR
%
CH2N(NO2)2 50.3 210.5 2001KOS/MIR
%
CH2CH2N(NO2)CH3 34.5 144.3 2001KOS/MIR
%
CH2N(NO2)CH2N(NO2)CH3 48.3 202.1 2001KOS/MIR
%
CH2N(NO2)(CH2)N(NO2)CH3 41.4 173.2 2001KOS/MIR
CS 67.0 280.3 1998CHA
C%(S)H 71.8G2 300.4G8.4 1994BER/ELL
%
CH2SH 36.3G2 151.9G8.4 1994BER/ELL
%
CH2SCH3 32.7G1.4 136.8G5.9 1994JEF/NIC
%
CH2SPh 64.2G3 268.6G12.6 1993ZHA/BOR
%
CH2SOCH3 5.7G3 23.8G12.6 1998BOR/LIU
HOC%(S)S 26.4 110.5 1990MUR/LOV
%
CH2SO2CH3 K42.3G3 K177.0G12.6 1992BOR/HAR
%
CH2SO2Ph K13.7G3 K57.3G12.6 1992BOR/HAR
PhC%HSO2CH3 K26.1G3 K109.2G12.6 1992ZHA/BOR
PhC%HSO2Ph 1.7G3 7G12.6 2001ORL/TUR
Ph2C%SO2Ph 24.4G3 102G12.6 2001ORL/TUR
Ph2C%SPh 104.1G3 435.6G12.6 2001ORL/TUR
NC%(O) 30.4 127.2 1996ZYR/DRO
%
CNH 49.7G2.9 207.9G12.1 2000WEN
%
CNO 77.2G7.2 323G30 2002SAI/PAL
%
CH2SiMe3 K7.6G1.5 K32G6 1998BEC/WAL
%
CH2C(CH3)2SiMe3 K29.9 K125 1998BEC/WAL
%
CP 107.6G2.2 450G9 1998CHA
29.3.2 O-centered radicals

Table 29.3.2 Heats of Formation of O-Centered Radicals
DfH0(R)
O-Centered radicals kcal/mol kJ/mol References
HO% 8.93G0.03 37.36G0.13 2006RUS/PIN

FO% 26G2.4 109G10 2003NASA/JPL
ClO% 24.29G0.03 101.63G0.1 2003NASA/JPL
BrO% 30.2G0.4 126.2G1.7 2003NASA/JPL
IO% 27.7G1.2 115.9G5.0 2003NASA/JPL
HOO% 2.94G0.06 12.30G0.25 2006RUS/PIN
FOO% 6.1G0.5 25.4G2 1998CHA
ClOO% 23.4G1 98.0G4 1998CHA
BrOO% 25.8G9.6 108G40 1998CHA
IOO% 23G4 96.6G15 2001IUPC
OFO% 90.5G4.8 378.6G20 1998CHA
OClO% 22.8 95.4 1994NIC/FRI
ClOOClO% 33.9G2.9 142G12 1989HAY/COX
ClClO% 22G7 90G30 1998CHA
NCO% 44.0 184.1 1990TAK
CNO% 92.4 386.6 2004JAN/ROS
HONNO% 41.1 172 2004POS/SHA
sym-ClO3 51.9G5 217.2G21 1992COL/SAN
HSO% K5.2G0.5 K21.8G2.1 2005DEN
HSOO% 26.8 112 1999ARM
CH3SOO% 18.2 76 1999ARM
CF3SO2O% K218 K912 1995TAK/PAS
O3 34.1G0.4 142.7G1.7 1998CHA
NCO% 44.0 184.0 1990TAK
O2NO% 17.6G0.3 73.7G1.4 1993DAV/KIM
ONOO% 19.8 82.8 1993DAV/KIM
HOS(O)2O% K122.3 K511.7 2005FAT/KAS
CH3O% 5.0G0.5 21.0G2.1 2005RUS/BOG
CF3O% K151.8G1.7 K635.1G7.1 2000REI/PRA
CCl3O% K9.1G2.2 K38.1G9.2 2001SUN/BOZ
CH2ClO% K5.1G2.2 K21.3G9.2 2001SUN/BOZ
CHCl2O% K7.7G2.2 K32.2G9.2 2001SUN/BOZ
CH2aCH–O% 4.4G0.3 18.4G1.3 2002SEB/BOC
CF3CHFO% K203.4 K851.0 2003WU/CAR
C2H5O% K3.3G0.8 K13.6G3.3 2005RUS/BOG
CH3CHClO% K14.8G2.9 K61.9G12.1 2001SUN/BOZ(b)
CH3CCl2O% K21.9G2.8 K91.6G11.7 2001SUN/BOZ(b)
nC3H7O% K7.2G2.0 K30.1G8.4 1973BEN/ONE
iC3H7O% K11.6G0.8 K48.5G3.3 2002ERV/DET
(CH3)2CClO% K25.9G2.0 K108.4G8.4 2002SUN/BOZ
nC4H9O% K15 K62.8 1974BAT/CHR
sC4H9O% K16.6 K69.5 1974BAT/CHR
(continued)
Table 29.3.2 (continued) Heats of Formation of O-Centered Radicals
DfH0(R)
O-Centered radicals kcal/mol kJ/mol References
tC4H9O% K20.5G0.9 K85.8G3.8 2002ERV/DET

CH2aCHCH2O% 20.8 87.0 2002LEE/CHE
C6H5O% 11.6G0.7 48.5G2.9 2005MUL/KOR
o-Cl–C6H4O% 7.3 30.6 2003JAN/FAB
C6Cl5O% w15 w63 2000MUF/KHA
p-Cl–C6H4O% w2.1 w9 2000MUF/KHA
o-OH–C6H4O% K44.5 K186.3 1991PON/TAK
p-OH–C6H4O% K34.3 K143.6 1991PON/TAK
o-CH3O–C6H4O% K30.0 K125.5 1991PON/TAK
p-CH3O–C6H4O% K19.4 K81.1 1991PON/TAK
C6H2Cl3O%, 2,4,6- K6.6 K27.5 2003JAN/FAB
trichlorophenoxyl
C6H5CH2O% 32.5G3 136.0G12.6 2005FAT/KAS
C10H7O%, naphthoxy-1 39.5 165.3 1975MAH/DAR
C10H7O%, naphthoxy-2 41.6 174.1 1975MAH/DAR
HC(O)O% K31G3 K129.7G12.6 1995KIM/BRA
FC(O)O% K88 368.0 1995TAK/PAS
CH3C(O)O% K43G3 K179.9G12.6 2003BLA/ELL
CF3C(O)O% K190.5 K797.0 1995TAK/PAS
C6H5C(O)O% K12G4 K50.2G16.7 2003BLA/ELL
CF3OC(O)O% K229G4 K958.1G16.7 2005PAC/ARG
CH3OO% 4.8G1.2 20.1G5.1 2001BLA/RAM
C2H3OO%, CH2a 24.3G0.4 101.7G1.7 2002SEB/BOC
CHOO%
C2H5OO% K6.8G2.3 K28.5G9.6 2001BLA/RAM
C3H5OO%, CH2a 21.2 88.7 2002LEE/CHE
CHCH2OO%
iC3H7OO% K15.6G2.7 K65.4G11.3 1998KNY/SLA(b)
C4H7OO%, CH3CHa 19.7G1.3 82.6G5.3 1998KNY/SLA
CHCH2OO%
tC4H9OO% K24.3G2.2 K101.5G9.2 1998KNY/SLA(b)
neo-C5H11OO% K27.6 K115.5 2004SUN/BOZ
HOCH2OO% K38.7 K162.1 1992LIG/COX
HOOCH2CH2OO% K23.9 100 2002BOZ/SHE
C6H5CH2OO% 27.4G1 114.6G4.2 1993ELM/MIN
c-C6H7OO%, 36.2G3 151.6G12.6 2000KRA/CIR
cyclohexadienyl
c-C6H11OO% K6G2.5 K25.0G10.5 2000KRA/CIR
C6 H2 Cl3 O$3 , 4,6,7- 31.4 131.4 2003JAN/FAB
trichloro-2,3-
dioxabicyclo[2.2.2]-
octa-5,7-dien-1-yl
c-C4H8NOO%, 24.2G3 101.3G12.6 2000KRA/CIR
pyrrolidin-2-yl
(C2H5)N(CH3)CHOO% K8.6G3 K36.0G12.6 2000KRA/CIR

CF3OO% K151.8 K635.0 2004JAN/ROS
CF2ClOO% K97.2G3.5 K406.7G14.6 1992LIG/COX
CFCl2OO% K51.1 K213.7 1992LIG/COX
CH2ClOO% K1.2G3.3 K5.1G13.6 1998KNY/SLA(b)
CHCl2OO% K4.6G2.7 K19.2G11.2 1998KNY/SLA(b)
CCl3OO% K5.0G2.1 K20.9G8.9 1998KNY/SLA(b)
CH3CHClOO% K13.1G0.8 K54.7G3.4 1998KNY/SLA(b)
CH3CCl2OO% K15.2G2.3 K63.8G9.8 1998KNY/SLA(b)
CH(O)CH2OO% K20.5G1.0 K85.9G4 2006HAS/DEL
CH3OCH2OO% K34.0G1.0 K142.2G4.2 2000YAM/BOZ
CH3C(O)CH2OO% K34.0G1 K142.1G4 2006HAS/DEL
CH3C(O)OO% K36.9G1.4 K154.4G5.8 2003NASA/JPL
HOOO% 7.1G2 29.7G8.4 2002DEN/KIE
CH3OOO% 8G3 33.4G12.6 1996JUN/SEI
C2H5OOO% 1.3G3 5.4G12.6 1996JUN/SEI
C4H7O–OO%, Ra K36.3G4 K152.0G16.7 2000KRA/CIR
tetrahydrofuran-2-yl
C4H7O2–OO%, Ra K65.5G4 K274.0G16.7 2000KRA/CIR
dioxan-2-yl
C6H2Cl3O%, 2,4,6- K7.8G3 K32.6G12.6 2003BUR/KHA
trichlorophenoxy
radical
C6H4ClO%, o- 4.3G1 18.0G4.2 2003BUR/KHA
chlorophenoxy
radical
C6 H2 Cl3 O$2 , 2,4.6- 30.7 128.4 2003BUR/KHA
trichlorobicyclo-2,5-
hexadiene-1,4-
peroxyl-1phenoxy
radical
C12 H4 Cl5 O$2 , 2,4- K30.6G6 K128G25 2003BUR/KHA
dichlorophenoxy-
1 0 ,3 0 ,5 0 -tri-
chlorophenyl-6-2 0
ether radical
C12 H5 Cl4 O$2 , 2,4- K20.4 85.4 2003BUR/KHA
dichlorophenoxy-1 0 ,-
3 0 -dichloro-phenyl
6,6 0 -ether radical
29.3.3 N-centered radicals

Table 29.3.3 Heats of Formation of N-Centered Radicals
DfH0(R)
N-Centered Radicals kcal/mol kJ/mol References
ON 21.76G0.02 91.04G0.08 2006RUS/PIN

NO2 8.12G0.02 33.97G0.08 2006RUS/PIN
N2O 19.61G0.1 82.05G0.4 1998CHA
NH 85.3G0.2 357G1 1999AND
%
NH2 44.5G0.2 186.2G1.0 2005RUS/BOG
%
NNH 59.64 249.5 2000SMI/GOL
%
NCO 31.5 131.8 2000SMI/GOL
%
N3 99.0G5 414.2G20.9 1998CHA
%
N2H3 58.2 243.5 1988GRE/COL
(Z)-N2H2 50.9G2.6 213.0G10.9 1998CHA
NF 50 209.2 1979HUB/HER
%
NF2 10.1G2 42.3G8 1998CHA
%
NHF 26.8G3.6 112G15 1989GUR/VEY
NBr 71.9G5 301G21 1998CHA
HNO 25.6G0.6 107.1G2.5 1999AND
FNO K15.7G0.4 K65.7G1.7 1998CHA
ClNO 12.36G0.10 51.71G0.42 1998CHA
BrNO 19.63G0.2 82.13G0.8 1998CHA
INO 26.8G5 112.1G20.9 1998CHA
NCO 28.9 120.9 2004JAN/ROS
NCN 111.1G0.7 464.8G2.9 1999BIS/CHO
NSi 89G15 372G63 1998CHA
NH2C(O)N%H 0.2G3 0.8G12.6 1991BOR/JI(b)
CH3C(O)N%H K1.6G3 K6.7G12.6 1991BOR/JI(b)
NH2C(S)N%H 46.4G3 194G12.6 2001ORL/TUR
CH3C(S)N%H 41.3G3 173G12.6 2001ORL/TUR
PhC(S)N%H 73.4G3 307G12.6 2001ORL/TUR
HCON%H 11.9G3 49.8G12.6 1995BOR/ZHA
NH2C(NH)N%H 59.9G3 250.6G12.6 1991BOR/JI(b)
%
NHCN 76.3G0.7 319.2G2.9 2001BIS/HOO
CH2N%H 25.0G3 104.6G12.6 1988GRE/COL
CH3N%H 44.0G2 184.1G8.4 1988COL
tBuN%H 22.8G3 95.4G12.6 1998BOR/LIU
C6H5CH2N%H 68.9G3 288.3G12.6 1998BOR/LIU
C6H5N%H 58.4G1 244.3G4.2 1997MAC/WAY
(CH3)2N% 37.8G2 158.2G4.2 1988COL
(C6H5)(CH3)N% 57.6G1.5 241.0G6.3 1993BOR/ZHA
(C6H5)2N% 87.5G1.5 366.0G6.3 1997MAC/WAY
1-pyrrolyl 70.8G3 269.2G12.6 1991BOR/JI(b)
1-pyrazolyl 98.7G0.5 413.0G2.1 2006GIA/ICH
Carbazol-9-yl 91.6G2 383.3G8.4 1992ARE/VEN
CH3 N$2 51.5G1.8 215.5G7.5 1987ACS/PET
C2 H5 N$2 44.8G2.5 187.4G10.5 1987ACS/PET
iC3 H7 N$2 34.9G2 146.0G8.4 This book

nC4 H9 N$2 33.6G2 140.6G8.4 This book
tC4 H9 N$2 23.3G2 97.5G4.2 This book
(NO2)HN% 38.8 162.3 2001KOS/MIR(b)
(CH3)(NO2)N% 33.2 139.0 2001KOS/MIR(b)
(NO2)2N% 47.8 200.0 2001KOS/MIR(b)
CH3N%CH2N(NO2)CH3 44.3 185.4 2001KOS/MIR(b)
29.3.4 S-centered radicals

Table 29.3.4 Heats of Formation of S-Centered Radicals
DfH0(R)
S-Centered radicals kcal/mol kJ/mol References
SO 1.2G0.3 5.0G1.3 1998CHA

SO2 K70.95G0.05 K296.84G0.21 1998CHA
SO3 K94.6G0.17 K395.77G0.7 1998CHA
S2O K13.5G8 K56.5G33.5 1998CHA
HOS% K1.6G0.5 K6.7G2.1 2005DEN
HC(O)S% 13.5 56.5 1990TAK
HS%O2 K53 K221.8 1980BOY/GUP
HOS%O2 K92 K384.9 1984MAR
NCS% 71.7G2 300G8 1999ARM
HS% 34.2G0.2 143.0G0.8 1996WIL/HOW
CH3S% 29.8G0.4 124.7G1.7 1994BER/ELL
C2H5S% 24.1 101 1999ARM
nC3H7S% 19.1 80 1999ARM
iC3H7S% 17.9G2 74.9G8.4 1980JAN/REE
tC4H9S% 10.5G2 43.9G8.4 1980JAN/REE
C6H5S% 58.0G1.1 242.7G4.6 2002SAN/MUR
C6Cl5S% w44 w184 2000MUF/KHA
C6H5CH2S% 58.8 246 2001ORL/TUR
CH3S%O K16.0G2.4 K67G10 2001IUPAC
CH3S%O2 K57.2 K239.3 1971SOL/BEN
HSS% 27.6G3.5 115.5G14.6 1993OHA/DEP
CH3SS% 16.4G2 68.6G8.4 1986HOW/GRI
C2H5SS% 10.4G2 43.5G8.4 1986HOW/GRI
iC3H7SS% 3.3G2 13.8G8.4 1986HOW/GRI
tC4H9SS% K4.6G2 K19.2G8.4 1986HOW/GRI
HOC(S)S% 26.4G1.1 110.5G4.6 1990MUR/LOV
HC(O)S% 13.5 56.5 1990TAK
SF 3.1G1.5 13.0G6.3 1998CHA
SF2 K70.9G4 K296.7G16.7 1998CHA
SF3 K120.2G8 K503.0G33.5 1998CHA
(continued)
Table 29.3.4 (continued) Heats of Formation of S-Centered Radicals
DfH0(R)
S-Centered radicals kcal/mol kJ/mol References
SF4 K182.4G5 K763.2G20.9 1998CHA

SF5 K210.3G3.6 K879.9G15.1 1998CHA
ClS% 37.4G4 156.5G16.7 1998CHA
SN 63G25 263.6G105 1998CHA
SCl 37.4G4 156.5G16.7 1998CHA
29.3.5 Si, Ge-, Sn-, and Pb-centered radicals

Table 29.3.5 Heats of Formation of Si-, Ge-, Sn-, and Pb-Centered Radicals
DfH0(R)
Si-, Ge-, Sn-, and

Pb-Centered radicals kcal/mol kJ/mol References
SiF K11.2G2.1 K46.9G8.8 1993FIS/KIC

SiF2 K152.5G1.5 K638G6 1998BEC/WAL
%
SiF3 K235.9G4 K987G20 1998BEC/WAL
SiCl 37.0G1 154.8G4.2 2003HIL/LAU
SiCl2 K38.0G1.5 K159.0G6.3 2003HIL/LAU
%
SiCl3 K76.0G1 318G4.2 2003HIL/LAU
SiBr 48.7G2 203.8G8.4 2003HIL/LAU
SiBr2 K11.0G1 46.0G4.2 2003HIL/LAU
%
SiBr3 K38G2 K159.0G8.4 2003HIL/LAU
SiI 75.0G10 313.8G42 1998CHA
SiI2 22.1G2 92.5G8.4 1998BEC/WAL
%
SiI3 8.4G15 35.3G63 1998CHA
SiH 90G2 376.6G8.4 1998CHA
SiH2(1A1) 65.2G0.5 273G2 1998BEC/WAL
SiH2(3B1) 86.2 360.7 1987BER/GRE
%
SiH3 47.9G0.6 200.4G2.5 1994BER/ELL
MeSi%H2 33.7G1.5 141G6 1998BEC/WAL
Me2Si%H 18.6G1.5 78G6 1998BEC/WAL
Me3Si% 3.6G1.6 15G7 1998BEC/WAL
%
Si2H3 w96 w402 1991RUS/BER(c)
H3SiSi%H2 55.9G1.5 234G6 1998BEC/WAL
C6H5Si%H2 65.5 274 1998BEC/WAL
H3SiSi%H 74.6G2 312G8 1998BEC/WAL
MeSi% 72.2 302.2 2004JAN/ROS
MeSi%H 48.3G1.5 202G6 1998BEC/WAL
Me2Si%% 32.3G2 135G8 1998BEC/WAL
SiN 75G10 313.8G42 1998CHA
%
GeH3 53G2 221.8G8.4 1994BER/ELL
GeF K17.0G2.4 K71G10 1991GUR/VEY
GeF2 K137.2G4.8 K574G20 1991GUR/VEY
%
GeF3 K192.9G12 K807G50 1991GUR/VEY
GeCl 16.5G4.3 69G18 1991GUR/VEY
GeCl2 K40.9G1.2 K171G5 1991GUR/VEY
%
GeCl3 K64.0G12 K268G50 1991GUR/VEY
GeBr 32.8G1.2 137G5 1991GUR/VEY
GeBr2 K14.6G1.2 K61G5 1991GUR/VEY
%
GeBr3 K28.4G12 K119G50 1991GUR/VEY
GeI 50.4G6 211G25 1991GUR/VEY
GeI2 12.0G1 50.2G4 1991GUR/VEY
%
GeI3 10G12 42G50 1991GUR/VEY
SnF K22.7G1.7 K95G7.2 1991GUR/VEY
SnF2 K122.1G2.2 K511G9.2 1991GUR/VEY
%
SnF3 K154.6G12 K647G50 1991GUR/VEY
SnCl 8.3G2.9 35G12 1991GUR/VEY
SnCl2 K48.4G1.7 K202.6G7.1 1991GUR/VEY
%
SnCl3 K69.8G12 K292G50 1991GUR/VEY
SnBr 18.2G2.9 76G12 1991GUR/VEY
SnBr2 K28.4G0.7 K119G2.8 1991GUR/VEY
%
SnBr3 K38.0G12 K159G50 1991GUR/VEY
SnI 41.3G2.9 173G12 1991GUR/VEY
SnI2 K1.9G1 K8.1G4.2 1991GUR/VEY
%
SnI3 1.9G12 K8G50 1991GUR/VEY
%
Sn(CH3)3 31.6 132.2 1998GAL/PAU
%
Sn(C6H5)3 124G5 518.8G21 1992CAR
PbH 56.5G4.6 236.2G19.2 1998CHA
PbF K19.2G2.5 K80.3G10.5 1998CHA
PbF2 K104G2 K435.1G8.4 1998CHA
%
PbF3 K117G14.3 K490G60 1991GUR/VEY
PbCl 3.6G12 15.1G50 1998CHA
PbCl2 K41.6G0.3 K174.1G1.3 1998CHA
%
PbCl3 K42.5G19 K178G80 1991GUR/VEY
PbBr 16.9G10 70.9G42 1998CHA
PbBr2 K25.0G1.5 K104.4G6.3 1998CHA
%
PbBr3 K24.9G19 K104G80 1991GUR/VEY
PbI 25.7G9 107.4G37.7 1998CHA
PbI2 K0.76G1 K3.2G4.2 1998CHA
%
PbI3 5.2G19 22G80 1991GUR/VEY
29.4 Group additivity values for organic radicals

The group additivity values (GAVs) are in 1976BEN, and updated GAVs are available in
1993COH/BEN, 1996COH, 1997BEN/COH.
Table 29.4.1 GAVs of C/H Radicals
GAVs
C/H Radical groups kcal/mol kJ/mol References

%
C–(C)(H)2 38.4 160.7 1999COH
%
C–(C)2(H) 41.0 171.5 1999COH
%
C–(C)3 41.6 174.1 This volume
%
C–(Cd)(H)2 25.9 108.4 This volume
%
C–(Cd)2(H) 18.5 77.4 This volume
%
C–(C)(Cd)(H) 26.2 109.6 This volume
%
C–(C)2(Cd) 26.0 108.8 This volume
%
C–(C)(Cd)2 25.0 104.6 This volume
%
C–(CB)(H)2 27.7 115.9 This volume
%
C–(C)(CB)(H) 30.0 125.5 This volume
%
C–(C)2(CB) 30.1 125.9 This volume
%
C–(CB)2(H) 28.3 118.4 This volume
%
C–(CB)2(C) 30.1 125.9 This volume
%
C–(CB)3 28.9 120.9 This volume
%
C–(Ct)(H)2 26.1 109.2 This volume
%
C–(C)(Ct)(H) 28.5 119.2 This volume
%
C–(C)2(Ct) 27.8 116.3 This volume
%
CB – 62.5 261.5 This volume
%
Cd–(H) 65.3 273.2 This volume
%
Ct– 108.0 451.9 This volume
C–(%C)(H)3 K10.0 K41.8 1999COH
C–(C)(%C)(H)2 K5.0 K20.9 1999COH
C–(C)2(%C)(H) K2.4 K10.0 1999COH
C–(C)3(%C) 0.5 2.1 1999COH
Cd–(%C)(H) 8.6 36.0 1999COH
Cd–(%C)(C) 10.2 42.7 1999COH
Ct–(%C) 27.3 114.2 1999COH
CB–(%C) 5.5 23.0 1999COH
Table 29.4.2 GAVs of O/C/H Radicals
GAVs
O/C/H Radical groups kcal/mol kJ/mol References

%
C–(O)(H)2 33.5 140.2 This volume
%
C–(C)(O)(H) 35.0 146.4 This volume
%
C–(C)2(O) 31.6 132.2 This volume
%
C–(Cd)(O)(H) 23.0 96.2 1999COH
%
C–(Cd)2(O) 17.0 71.1 This volume
%
C–(CB)2(O) 17.0 71.1 This volume
%
C–(CO)(H)2 32.8 137.2 This volume
%
C–(C)(CO)(H) 32.6 136.4 This volume
%
O–(C) 15.0 62.8 This volume
%
O–(Cd) K10.8 K45.2 This volume
%
O–(CB) K2.7 K11.3 This volume
%
O–(CO) 2.2 9.2 This volume
%
O–(O) 17.7 74.1 This volume
%
CO–(H) 10 41.8 This volume
%
CO–(C) 7.6 31.8 This volume
%
CO–(Cd) 8.0 33.5 This volume
%
CO–(CB) 5.9 24.7 1999COH
%
CO–(O) 12.0 50.2 This volume
C–(%O)(H)3 K10.0 K41.8 1999COH
C–(C)(%O)(H)2 K8.1 K33.9 1993COH/BEN
C–(%C)(O)(H)2 K8.1 K33.9 1993COH/BEN
C–(C)2(%O)(H) K7.2 K30.1 1993COH/BEN
C–(C)(%C)(O)(H) K7.2 K30.1 1993COH/BEN
C–(C)3(%O) K6.6 K27.6 1993COH/BEN
C–(C)2(%C)(O) K6.6 K27.6 1993COH/BEN
CB–(%O) K0.9 K3.8 1993COH/BEN
Cd–(%O)(H) 8.6 36.0 1993COH/BEN
Cd–(%CO)(H) 5.0 20.9 1993COH/BEN
C–(%CO)(H)3 K10.0 K41.8 1999COH
C–(C)(%CO)(H)2 K5.2 K21.8 1993COH/BEN
CB–(%CO) 3.7 15.5 1993COH/BEN
O–(%C)(H) K37.9 K158.6 1999COH
O–(%C)(C) K23.5 K98.3 1993COH/BEN
O–(%O)(C) K4.5 K18.8 1993COH/BEN
O–(%CO)(H) K58.0 K242.7 1993COH/BEN
O–(%CO)(C) K43.1 K180.3 1993COH/BEN
O–(%C)(CO) K43.1 K180.3 1993COH/BEN
O–(O)(%O) 19.0 79.5 1993COH/BEN
O–(CO)(%O) K19.0 K79.5 1993COH/BEN
O–(CB)(%O) K4.6 K19.2 This volume
CO–(%C)(H) K29.4 K123.0 1993COH/BEN
CO–(%C)(C) K31.7 K132.6 1993COH/BEN
CO–(CB)(%O) K34.4 143.9 This volume
CO–(C)(%O) K35.2 K147.3 1993COH/BEN
CO–(H)(%O) K32.1 K134.3 1993COH/BEN
Table 29.4.3 GAVs of N/C/H/O Radicals
GAVs
N/C/H/O Radical
groups kcal/mol kJ/mol References
%
N–(C)2 57.8 241.8 This volume
%
N–(C)(H) 54.0 225.9 1999COH
%
N–(N)(H) 46.8 195.8 1999COH
%
N–(CB)(H) 42.5 177.8 This volume
%
N–(C)(CB) 51.7 216.3 This volume
C–(%N)(H)3 K10.0 K41.8 1999COH
CB–(%N) K0.5 K2.1 1999COH
N–(%N)(H)2 11.4 47.7 1976BEN
N–(%C)(H)2 4.8 20.1 1976BEN
N–(%C)(C)(H) 9.0 37.7 1999COH
N–(%C)(C)2 24.4 102.1 1976BEN
N–(%C)(C)(CB) 26.2 109.6 1976BEN
%
C–(N)(H)2 31.5 131.8 This volume
%
C–(C)(N)(H) 33.6 140.6 This volume
%
C–(C)2(N) 31.9 133.5 This volume
%
C–(CN)(H)2 60.4 252.7 This volume
%
C–(C)(CN)(H) 64.2 268.6 This volume
%
C–(C)2(CN) 65.5 274.1 This volume
%
C–(C)(CB)(CN) 44.4 185.8 1999COH
(CN)–(%C) 3.0 12.6 1999COH
(%NN)–(C) 61.5 257.3 1999COH
C–(%NN)(H)3 K10.0 K41.8 1999COH
C–(C)(%NN)(H)2 K6.7 K28.0 1999COH
C–(C)2(%NN)(H) K6.6 K27.6 This volume
C–(C)3(%NN) K8.2 K34.3 This volume
NO2–(%C) K9.3 K38.9 This volume
%
C–(NO2)(H)2 36.6 153.1 This volume
%
C–(NO2)(C)(H) 34.1 142.7 This volume
%
C–(NO2)(C)2 30.8 128.9 This volume
%
C–(NO2)(CB)(H) 27.8 116.3 This volume
Table 29.4.4 GAVs of S/C/H/O Radicals
GAVs
S/C/H/O Radical
groups kcal/mol kJ/mol References
%
S–(C) 39.5 165.3 This volume
%
S–(CB) 41.6 174.1 This volume
%
SO2–(C) K47.2 K197.5 This volume
%
S–(S) 19.4 81.2 This volume
S–(%S)(H) 8.2 34.3 This volume
S–(%S)(C) 6.72 28.12 1993COH/BEN
S–(%C)(H) 4.68 19.58 1993COH/BEN
S–(%C)(C) 11.34 47.45 1993COH/BEN
S–(%C)(CB) 16.2 67.8 1993COH/BEN
SO–(%C)(C) K14.4 K60.2 1976BEN
SO2–(%C)(C) K69.7 K291.6 1976BEN
SO2–(%C)(CB) K72.3 K302.5 1976BEN
%
C–(S)(H) 71.8 300.4 This volume
%
C–(S)(H)2 31.5 131.8 This volume
%
C–(SO)(H)2 30.1 125.9 This volume
%
C–(SO2)(H)2 38.6 161.5 This volume
%
C–(SO2)(CB)(H) 33.8 141.4 This volume
%
C–(SO2)(CB)2 34.1 142.7 This volume
%
C–(S)(CB)2 28.5 119.2 This volume
29.5 Enthalpy of formation of monoatomic cations

Based on thermodynamics, the enthalpy of formation of monoatomic anions in gas-phase is given by
Df H0 ðADÞZ Df H0 ðAÞDIEðAÞ
Here DfH0(A) and IE(A) are the enthalpy of formation and the electron affinities of gaseous atoms,
respectively. The following DfH0(AD) values are calculated using both Table 29.1 and the rec-
ommended IE(A) in 1996NIST.
DfH 0(AC)
A kcal/mol kJ/mol
Ac 216.3 905
Ag 242.8G0.02 1015.9G0.8
Al 217.1G1.0 908.4G4.0
Am 205.6 860.4
Ar 363.403G0.001 1520.476G0.0.001
As 298.6G3.1 1249.5G13
Au 300.7G0.5 1258.3G2.1
(continued)
B 326.391G1.2 1365.6G5
Ba 120.2G1.2 502.8G5.0
Be 292.4G1.2 1223.5G5
Bi 218.1G0.5 912.5G2.1
Bk 217.7G0.6 911.0G2.4
Br 299.16G0.03 1251.70G0.12
C 430.953G0.11 1803.108G0.45
Ca 183.5G0.2 767.6G0.8
Cd 234.12G0.05 979.54G0.20
Ce 228.1G0.5 954.5G2.1
Cf 192.1G0.5 803.8G2.0
Cl 328.025G0.002 1372.458G0.008
Cm 231.1 966.8
Co 283.7 1187.1
Cr 251.0G1.0 1050.3G4.2
Cs 108.08G0.24 452.2G1.0
Cu 258.8G0.3 1082.9G1.2
Dy 206.4G0.5 863.4G2.1
Er 216.5G0.5 905.7G2.1
Es 179.9G0.6 752.6G2.4
Eu 173.2G0.5 724.5G2.1
F 420.74G0.07 1760.39G0.30
Fe 281.5G0.1 1177.9G1.3
Ga 203.3 850.79
Gd 236.8G0.5 990.9G2.1
Ge 271.1G0.7 1134.1G3
H 365.683G0.001 1530.017G0.006
He 566.986 2372.248
Hf 305.2G1.5 1276.9G6.3
Hg 255.36G0.01 1068.42G0.04
Ho 210.7G0.5 881.6G2.1
I 266.52G0.01 1115.13G0.04
In 191.5G1 801.3G4
Ir 369.7G1 1547.0G4
K 121.4G0.2 507.8G0.8
Kr 322.831 1350.725
La 231.6G0.5 969.1G2.1
Li 162.4G0.2 679.5G1.0
Lu 227.3G0.5 951.1G2.1
Mg 211.5G0.2 884.8G0.8
Mn 239.1G1.0 1000.6G4.2
Mo 321.1G0.9 1343.3G3.8
N 448.13G0.096 1874.98G0.40
Na 144.2G0.2 603.3G0.7
Nb 331.1G2 1385.1G8
Nd 205.5G0.5 860.0G2.1
Ne 497.278 2080.612
Ni 279.0G2.0 1167.2G8.4
Np 255.6 1069.3
O 373.59G0.02 1563.09G0.10
Os 388.7G1.5 1626.4G6.3
P 317.5G0.2 1328.3G1.0
Pa 270.4 1131
Pb 217.7G0.2 910.8G0.8
Pd 282.3G0.5 1181.0G2.1
Pr 211.3G0.5 884.1G2.1
Pt 342.7G0.3 1434.0G1.3
Pu 221.4G4.1 926.4G17
Ra 159.7 668.3
Rb 115.7G0.2 483.9G0.8
Re 366.7G1.5 1534.3G6.3
Rh 304.9G1 1275.7G4
Rn 247.860 1037.048
Ru 325.2G1.5 1360.8G6.3
S 305.15G0.04 1276.74G0.15
Sb 262.4G0.6 1098.0G2.5
Sc 241.6G1 1010.9G4
Se 279.2G1 1168.1G4
Si 295.5G2 1236.5G8
Sm 179.5G0.5 751.2G2.1
Sn 241.34G0.36 1009.8G1.5
Sr 170.5G0.4 713.5G1.7
Ta 368.8G0.6 1543.3G2.5
Tb 228.1G0.5 954.5G2.1
Tc 330 1380
Te 254.8G0.5 1065.9G2.1
Th 289.3G1.4 1210.6G6
Ti 270.5G0.7 1131.8G3
Tl 184.4G0.1 771.6G0.4
Tm 198.1G0.5 828.9G2.1
U 270.2G2 1130.6G8
V 278.8G2 1166.4G8
W 387.4G1.5 1620.9G6.3
Xe 279.715 1170.327
Y 244.9G0.5 1024.5G2.1
Yb 181.4G0.5 759.0G2.1
Zn 247.79G0.10 1036.77G0.40
Zr 298.8G2.0 1250.1G8.4
29.6 Enthalpy of formation of monoatomic anions

Based on thermodynamics, the enthalpy of formation of monoatomic anions in gas-phase is given by
Df H0 ðALÞZ Df H0 ðAÞLEAðAÞ
Here DfH0(A) and EA(A) are the enthalpy of formation and the electron affinities of gaseous atoms,
respectively. The following DfH0(AL) values are calculated using both Table 29.1 and the rec-
ommended EA(A) in 1996NIST.
DfH 0(AK)
A kcal/mol kJ/mol
Ag 39.0G0.2 163.3G0.8
Al 68.9G1.0 288.3G4.2
As 53.5G3.0 224.0G12.6
Au 35.0G2.4 146.3G9.9
B 128.5G1.2 537.8G5.0
Ba 39.5G1.2 165.1G5.0
Bi 28.4G0.5 118.7G2.1
Br K50.8G0.03 K212.6G0.12
C 142.186G0.11 594.905G0.460
Ca 41.9G0.2 175.5G0.8
Ce 78.4G0.8 327.9G3.3
Cl K54.356G0.002 K227.426G0.008
Co 86.7 362.8
Cr 79.4G1.0 332.3G4.2
Cs 7.40G0.24 30.98G1.0
Cu 52.1G0.3 218.0G1.3
F K58.56G0.07 K245.02G0.30
Fe 92.4G4.6 386.5G19.3
Ga 55.1 230.5
Ge 60.5G0.7 253.0G3
H 34.711G0.001 145.232G0.006
I K45.02G0.01 K188.37G0.04
In 48.7G1 203.7G4.2
Ir 123.9G1 518.5G4.2
K 9.7G0.2 40.6G0.8
La 92.2G0.7 385.6G2.8
Li 23.8G0.2 99.7G1.0
Lu 94.4G0.5 394.8G2.3
Mo 140.2G0.9 586.7G3.8
Na 13.1G0.2 54.7G0.8
Nb 154.6G2 646.9G8.7
Ni 76.1G2 318.5G8.4
O 25.86G0.02 108.21G0.10
Os 163.1G1.5 682.6G6.3
P 58.4G0.2 244.3G1.0
Pb 38.3G0.3 160.1G1.1
Pd 77.0G0.5 322.3G2.1
Pt 86.2G0.3 360.4G1.3
Rb 8.1G0.2 33.9G0.8
Rh 106.6G1 446.2G4.2
Ru 131.4G1.5 549.7G6.3
S 18.35G0.04 76.79G0.15
Sb 39.0G0.6 163.4G2.5
Sc 85.9G1.1 359.6G4.6
Se 7.7G1 32.2G4.2
Si 75.5G2 315.9G8.4
Sn 46.35G0.36 193.91G1.51
Sr 38.0G0.4 159.0G1.7
Ta 179.5G2.8 750.9G11.8
Te 1.6G0.5 6.5G2.1
Ti 111.0G0.7 464.4G3
Tl 34.9G0.3 145.8G1.3
Tm 31.8G0.7 133.0G3.0
V 111.1G2 464.8G8.4
W 184.6G1.5 772.2G6.3
Y 94.4G0.6 395.0G2.4
Zr 136.0G2.0 568.9G8.4
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Index of compound classes
A halides, 321
heterocyclic, 324
Ac-containing species, 643 polyols, 324
Acid anhydrides RC(O)O(O)R 0 unsaturated, 321
C–H bonds O –H bonds
aliphatic, 96–97 aliphatic, 256–258
aromatic, 97 armatic, 259,260
cyclic, 99 cyclic, 259
N-containing, 119–121 diols, 260
Si-containing, 100 enols, 260
C–O bonds, 335 –336 Si-containing, 261
Acid (or acyl) halides RC(O)X tropolone, 260
C–Br bonds, 241, 242 unsaturated, 256
C–C bonds, 181 –183 Aldehydes RC(O)H
C–Cl bonds, 229 C –C bonds
C–F bonds, 216 aliphatic, 181, 182
C–H bonds, 85 armatic, 183
C–I bonds, 252 ethanal, 181
Ag-containing species unsaturated, 182
AgC clusters, 999–1008 C –H bonds
AgK clusters, 1009 aliphatic, 83
neutrals, 990 –999 armatic, 84
Al-containing species cyclic, 84
neutrals, 1052–1062 furfurol, 84
AlC clusters, 1062– 1067 halides, 83
Alcohols ROH unsaturated, 85
C–C bonds Alkanes
aliphatic, 178–180 C –C bonds
aromatic, 179 chain, 147–153
diols, 180 cyclic, 153 –154
NH2-containing, 180 C –H bonds
C–H bonds chain, 8, 19– 23
aliphatic, 70 cyclic, 31– 39
arenes, 71– 72 Alkenes
aromatic, 72 –73 C –C bonds
cyclic, 72 chain, 154, 156 –160
diols, 73 cyclic, 160 –161
N-containing, 118 C –H bonds
O –C bonds chain, 25–30
aliphatic, 321–322 cyclic, 31– 39
aromatic, 324 Alkynes
cyclic, 323 C –C bonds, 154–156
1621
C– H bonds, 24–25 Antimony cluster/complexes

Am-containing species anions, 1240
AmC clusters, 664 –665 cations, 1240
neutrals, 664 neutrals, 1239
Amides RC(O)NR2 0 Aromatic compounds ArH
C– H bonds, 119 C–C bonds
C– N bonds, 414, 417 –418 anthracenes, 165
sarcosines, 419 benzenes, 161 –165
N–H bonds cyclic, 164, 165, 166
aliphatic, 373 indenes, 165
amidines, 375 naphthalenes, 164
aromatic, 374 phenanthrenes, 165
carboxamides, 375 tetralins, 166
O-containing, 374 C–H bonds
S-containing, 372, 374 acenaphthenes, 56
N–N bonds, 399 anthracenes, 51, 52, 58, 61
O –H bonds arenes, 40–47
benzamides, 276 benzanthrenes, 59
carboxamides, 276 benzofluorences, 59
Amines RNR2 0 , see also Anilines chrysenes, 60
C– C bonds dihydroacridenes, 53
aliphatic, 197 dodecahedrane, 61
aromatic, 196 fluorenes, 101, 116, 117, 125
CO-containing, 199 indanes, 47
di-, 198 indenes, 47
nitrozoamines, 200 naphthalenes, 49–50
O-containing, 199 phenalenes, 59
C– H bonds phenathrenes, 51
aliphatic, 102–104 poly-ring, 48–61
armatic, 104– 105 pyrenes, 61
aza-containing, 102, 112 tetralins, 48
CO-containing, 119 thioxantheces, 53
cyclic, 121–125 triphenylenes, 30, 59, 131
NO2-containing, 110 xantheces, 52–53
O-containing, 118 Arsenic clusters/complexes
C– N bonds anions, 1239
aliphatic, 411–413 cations, 1238–1239
aromatic, 413 neutrals, 1238
cyclic, 413 As-containing compounds
pyridines, 413 As–As bonds, 487
N–H bonds As–H bonds, 487
aliphatic, 370 As–halogen bonds, 487–488
anilines, 9, 378 As–N bonds, 488
aromatic, 371 As–O bonds, 488
hydrazines, 371 As–P bonds, 488
S-containing, 372 As–S bonds, 488
Si-containing, 377 As–Sb bonds, 488
N–N bonds As–Se bonds, 488
aromatic, 397 Astatine clusters/complexes
halides, 397 anions, 1427
N-containing, 396, 397 cations, 1427
NO2-containing, 280 neutrals, 1427
P-containing, 400 Au-containing species
SO2-containing, 400 AuC clusters, 1021–1025
N–O bonds, 352 AuK clusters, 1025–1026
Anhydrides, see Acid anhydrides neutrals, 1009– 1021
Anilines, also see Amines ArNR2 0 Azacyclic compounds
C– H bonds, 105 C–H bonds, 113, 124
N–H bonds Azides or hydrazines R2NNR2 0
mono-substituted, 378 –379 C–H bonds, 112
polysubstituted, 379–380 C–N bonds
Index of Compound Classes 1623
alkyl, 416 saturated, 63, 64, 67

aromatic, 417 S-containing, 131
halides, 416 Se-containing, 133
N–H bonds, 369, 371, 374, 377 Te-containing, 133
N–N bonds unsaturated, 69
aliphatic, 397 O –Br bonds, 367
aromatic, 397 O –H bonds
halides, 397 bromo-hydroperoxide, 267
hypobromous acid, 256
N–Br bonds, 423
B
N–H bonds, 371
B-containing species S– Br bonds, 448–449
BC clusters, 1049–1051 Bromine clusters/complexes
BK clusters, 1051 anions, 1402– 1413
neutrals, 1041–1048 cations, 1401–1402
Ba-containing species neutrals, 1399–1401
BaC clusters, 598–599
neutrals, 596 –597 C
Be-containing species
BeC clusters, 573–574 Ca-containing species
BeK clusters, 574 CaC clusters, 587 –591
neutrals, 571 –573 neutrals, 584–587
Bi-containing compounds Carbon clusters
Bi–Bi bonds, 491 C –C bonds, 205–207
Bi–H bonds, 490 Carbon clusters/complexes
Bi–halogen bonds, 491 anions, 1136–1140
Bi–O bonds, 491 cations, 1099–1135
Bi–P bonds, 492 neutrals, 1087–1097
Bi–Pb bonds, 492 Carboxylic acids RC(O)OH
Bi–S bonds, 491 C –Br bonds, 242
Bi–Sb bonds, 492 C –C bonds
Bi–Se bonds, 491 aliphatic, 187
Bi–Te bonds, 492 amino acids, 187, 189, 190
Bi–Tl bonds, 492 aromatic, 188
Bismuth clusters/complexes OH-containing, 189
anions, 1241 oxalic acids, 189
cations, 1241 prolines, 190
neutrals, 1240 sarcosines, 189
Bk-containing species, 665 unsaturated, 187
Bromides RBr C –Cl bonds, 229–230
C–Br bonds, 164–169 C –H bonds
C(O)-containing, 241–242 aliphatic, 93–94
C(O)O-containing, 242 aromatic, 94
cyanogen, 233 cyclic, 94
halogened alkanes, 233–239 glycolic, 94
halogened alkenes, 236–237, 238 O-containing, 94
halogened alkynes, 235 C –I bonds, 252
halogened aromatics, 240–241 O –C bonds
halogened cyclics, 239– 240 aliphatic, 333–334
halogened radicals, 243 aromatic, 334, 335
NO2-containing, 243 glycolic, 335
C–C bonds unsaturated, 334
aromatic, 176 O –H bonds
CO-containing, 183 –187 aliphatic, 262–263
saturated, 168 –175 aromatic, 264
C–H bonds nicotinic acid, 265
As-containing, 133 pyridium, 265
N-containing, 105, 117, 119 Cd-containing species
O-containing, 87 CdC clusters, 1035–1036
P-containing, 132 neutrals, 1033–1035
Ce-containing species Cyclic hydrocarbons

CeC clusters, 618 –619 C–C bonds, 196–197
neutrals, 617–618 C–H bonds, 31 –39
Cf-containing species, 665
Chlorides RCl D
C– C bonds
aromatic, 176–177 Dy-containing species
O-containing, 181, 182 DyC clusters, 634
saturated, 168 –175 neutrals, 631–634
unsaturated, 166–167
C– Cl bonds E
C(O)-containing, 229
C(O)N-containing, 230, 231 Er-containing species
C(O)O-containing, 229, 230 ErC clusters, 637
CN-containing, 228, 229 neutrals, 636–637
cyanogen, 218 Es-containing species, 665
halogened alkanes, 218– 225 Esters RC(O)OR 0
halogened alkenes, 220– 225 C–Br bonds, 242, 243
halogened alkynes, 200 C–C bonds
halogened aromatics, 226–228 aliphatic, 183
halogened cyclics, 226, 228 aromatic, 190
halogened radicals, 232– 233 N-containing, 190
N-containing, 231, 232 oxalates, 190
NO2-containing, 230 polycyclic, 191
S-containing, 231 unsaturated, 189
C– H bonds C–Cl bonds, 230
N-containing, 108, 117 C–H bonds
O-containing, 85 aliphatic, 96– 97
saturated, 60 –67 aminoacetates, 120
unsaturated, 67–68 aromatic, 97
N–Cl bonds, 422–423 CN-containing, 121
O –Cl bonds, 366 –367 cyclic, 100
O –H bonds dioates, 98
chloro-hydroperoxide, 266, 267 diones, 97–99
chloro-ol, 256 fluorenes, 101
hypochlorous acid, 256 N-containing, 120
S–Cl bonds, 447–448 oxalic, 97
Chlorine clusters/complexes Si-containing, 100
anions, 1379–1399 C–I bonds, 252
cations, 1377–1378 O–C bonds
neutrals, 1374–1377 aliphatic, 335
Cm-containing species, 665 aromatic, 336
Co-containing species halogened, 335
C– C bonds, 203 unsaturated, 335
CoC clusters, 868–881 O–O bonds, 316 –318
CoK clusters, 881–882 Ethers ROR 0
Co– C bonds, 11 C–C bonds
Co– X bonds, 855 –868 aliphatic, 180
Cr-containing species aromatic, 181
CrC clusters, 723–732 cyclic, 181
CrK clusters, 733–734 furans, 181
neutrals, 713–723 C–H bonds
Cs-containing species aliphatic, 73– 74, 76–77
CsC clusters, 565–568 aromatic, 8, 75
CsK clusters, 569 cyclic, 77 –83
neutrals, 563–564 dialkyloxy, 76– 77
Cu-containing species furans, 78
CuC clusters, 982–988 halides, 73
CuK clusters, 989 oxiranes, 77
neutrals, 967–981 pyrans, 79, 82, 127
Cyanides RCN, see Nitriles O–C bonds
aliphatic, 325–329 neutrals, 1068–1073

anisoles, 8, 329 Gd-containing species
aromatic, 329 –331 GdC clusters, 629–630
halides, 2325 neutrals, 628–629
heterocyclic, 332 Ge-containing compounds
tropylium, 332 Ge–Br bonds, 471
unsaturated, 325, 326 Ge–C bonds, 471
Eu-containing species Ge–Cl bonds, 470
EuC clusters, 628 Ge–F bonds, 470
neutrals, 626 –627 Ge–Ge bonds, 469–470
Ge–H bonds, 467–469
Ge–I bonds, 471
F Ge–O bonds, 472
Fe-containing species Ge–S bonds, 473
FeC clusters, 815 –838 Ge–Se bonds, 473
FeK clusters, 838 –839 Ge–Si bonds, 472
neutrals, 803 –814 Ge–Sn bonds, 472
Fluorides RF Ge–Te bonds, 473
O –O bonds, 315
C–C bonds
Germanium neutral complexes
aromatic, 176, 177
CO-containing, 185 anions, 1156
C(O)O-containing, 189 cations, 1155– 1156
saturated, 168 –176 neutrals, 1153–1155
unsaturated, 166, 167
C–F bonds H
C(O)-containing, 216
C60, 216 Halides, also see Acid halides
C70, 216 C –Br bonds, 233– 243
cyanogen, 211 C –C bonds, 166–178
halogened alkanes, 211–215 C –Cl bonds, 218–233
halogened alkenes, 214–215 C –F bonds, 212–217
halogened alkynes, 213, 214 C –H bonds, 74
halogened aromatics, 215, 216 C –I bonds, 243– 253
halogened cyclics, 215 C –S bonds, 421
halogened radicals, 217 N–Br bonds, 423
NO2-containing, 216 N–C bonds, 406, 407, 411
C–H bonds N–Cl bonds, 422– 423
aromatic, 69 N–F bonds, 422
O-containing, 83, 85 N–H bonds, 369
saturated, 60– 67 N–I bonds, 423–424
unsaturated, 67–69 N–N bonds, 397
N–F bonds, 422 N–O bonds, 48,351
O –F bonds, 365 N–S bonds, 421
O –H bonds O –Br bonds, 367
fluo-hydroperoxides, 266, 267 O –C bonds, 321, 323, 325, 338, 339, 342
fluoro-acid, 262 O –Cl bonds, 366–367
fluoro-ol, 256, 257 O –F bonds, 365
hypofluorous acid, 255 O –H bonds, 255 –256
S–F bonds, 446 O –I bonds, 368
Fluorine clusters/complexes O –O bonds, 311, 313, 315–319
anions, 1355–1374 S– Br bonds, 448–449
cations, 1355 S– Cl bonds, 447 –448
neutrals, 1351–1354 S– F bonds, 445–446
Fm-containing species, 665 S– H bonds, 428
S– I bonds, 449
G S– P bonds, 449–450
Heterocyclic compounds
Ga-containing species C –C bonds
GaC clusters, 107 furans, 181
GaK clusters, 1075 oxiranes, 191
piperidines, 197 O–C bonds, 332, 333, 334, 345

prolines, 191 O–H bonds
pyridines, 196 imidazoles, 278, 279, 280
C– H bonds piperidines, 277
acridines, 53, 117 pyrroles, 277
As-containing, 132 pyrrolidines, 277, 278
dioxepane, 82 O–N bonds
furans, 78 furazans, 355, 357
isochromanone, 11 furoxans, 359
morpholines, 122 peridines, 354
oxathiolane, 129 phenazines, 358
oxazolidines, 122–123 Hf-containing species
oxiranes, 77 HfC clusters, 686–687
P-containing, 132 neutrals, 685–686
piperazines, 125 Hg-containing species
piperidines, 113 HgC clusters, 1039–1040
pyran, 79, 82 neutrals, 1036– 1039
pyrazine, 113, 115–116 Ho-containing species
pyrimidines, 114, 125 HoC clusters, 635–636
pyrroles, 112 neutrals, 634–635
pyrrolidines, 112 Hydrocarbon radicals
quinlines, 115 C–C bonds
quinuclidines, 112 alphatic, 207
thianes, 127– 128 aromatic, 208
d-valerolactone, 100 C clusters, 205 –207
3-caprolactone, 100 halogened, 208
C– I bonds, 253 unsaturated, 207
C– N bonds, 411 C–H bonds
N–C bonds alphatic, 134 –135
furans, 441 aromatic, 139
N–H bonds cyclic, 137 –139
adenines, 392 unsaturated, 136 –137
azepines, 393 Hydrogen
aziridines, 387 clusters, 494–496
azolidines, 389 molecules, 493
azolines, 394 Hydroperoxides and Peroxides, ROOR 0
carbazoles, 392 O–C bonds
hydantoins, 388 aliphatic, 337, 338
imidazoles, 388 armatic, 340
imidazolines, 395 cyclic, 338, 341
iminostibenes, 393 halides, 338, 339
indoles, 391 O–H bonds
phenothiazines, 393 aliphatic, 266– 268
phenothioazines, 393 aromatic, 269
phthalazines, 392 CN-containing, 270
phthalimides, 391 CN-containing, 270
piperidones, 390 CO-containing, 270
pyrazolidines, 389 C(O)O-containing, 270
pyridazines, 391 cyclic, 268, 271
pyridines, 389 OH-containing, 269
pyridones, 390 O–N bonds, 344, 351– 352
pyrimidines, 395 O–O bonds
pyrroles, 387 aliphatic, 310– 312
pyrrolidones, 387 armatic, 314, 315
quinolines, 392 artemisinin, 320
quinolones, 392 cyclic, 318
succinimides, 388 flavins, 320
tetrazines, 394 halides, 311, 313, 315 –319
uracil, 376 P-containing, 319
uzazoles, 389 pernitric acid, 219
N–halogen bonds, 423, 425 peroxycarboxylic, 312
poly-cyclic, 320 aromatic, 87–90

S-containing, 315, 319 cyclic, 91– 92
trioxides, 315 diones, 90
O –S bonds, 364 ketenes, 85
N-compounds, 89, 119, 124
C –I bonds, 252
I
N–H bonds
In-containing species amides, 373
InC clusters, 1083 urea, 372
neutrals, 1075–1082
Iodides RI L
C–C bonds
CO-containing, 184 La-containing species
saturated, 168, 172 LaC clusters, 614 –616
C–H bonds, 64 neutrals, 612–613
C–I bonds Lead neutral complexes
C(O)-containing, 252 anions, 1161
C(O)O-containing, 252 cations, 1159– 1161
CN-containing, 252 neutrals, 1159
cyanogen, 243 Li-containing species
halogened alkanes, 244–249 LiC clusters, 500– 516
halogened alkenes, 247, 248, 249 neutrals, 496–500
halogened alkynes, 248 Lr-containing species, 665
halogened aromatics, 255–252 Lu-containing species
halogened cyclics, 250 LuC clusters, 642
halogened radicals, 253 neutrals, 640–641
N-containing, 253
NO2-containing, 253 M
O-containing, 252
N–I bonds, 423 –424 Md-containing species, 665
O –I bonds, 368 Mg-containing species
S–I bonds, 449 MgC clusters, 579 –584
Iodine clusters/complexes neutrals, 574–579
anions, 1417–1426 Mn-containing species
cations, 1416 MnC clusters, 787–793
neutrals, 1414–1415 MnK clusters, 793–794
Ir-containing species neutrals, 781–787
IrC clusters, 901–902 Mo-containing species
neutrals, 859 –901 MoC clusters, 746–750
Isocyanides RNC MoK clusters, 751
C–N bonds, 405 neutrals, 734–746
K N
K-containing species N oxides R’’R’RNO
KC clusters, 544–556 N–N bonds, 399
KK clusters, 557 O –N bonds
neutrals, 541 –544 alkyls, 353
Ketones RC(O)R 0 azoxys, 357
C–Br bonds, 242 benzofurazans, 356
C–C bonds benzonitriles, 355
aliphatic, 183–184 benzylidenes, 356
aromatic, 185 –186 di-N-oxides, 357
diketenes, 186 furazans, 357
diones, 186 furoxans, 54
halides, 183, 184, 185 furoxans, 359
C–Cl bonds, 229 phenazines, 358
C–F bonds, 216 polycyclic, 355
C–H bonds pyridines, 354
aliphatic, 85–87 quinolines, 358
Na-containing species N– C bonds

NaC clusters, 522–540 aliphatic, 406– 408
NaK clusters, 541 aromatic, 407–409
neutrals, 516–521 cyclic, 408
Nb-containing species furans, 411
NbC clusters, 704–708 halides, 406
neutrals, 700–703 poly-nitro, 409 –411
Nd-containing species unsaturated, 407
NdC clusters, 622–623 N– Cl bonds, 422
neutrals, 621–622 N– F bonds, 422
Ni-containing species N– N bonds
neutrals, 903–920 amines, 398
NiC clusters, 921 –930 azepines, 401
NiK clusters, 931 benzoazepines, 401
Nitrides NX or NM carbazoles, 401
N–H bonds, 369 indoles, 401
Nitriles RCN and Isocyanides RNC phenoxazines, 402
C– Br bonds, 236 soindoles, 401
C– C bonds N– I bonds, 423
aliphatic, 192–193 N– S bonds, 420
aromatic, 193, 194, 195 O–H bonds
cyanides, 192 –195 hyponitrite, 261
cyanogen, 191 isocyanic acid, 261
cyclic, 193 nitric acid, 261
dinitriles, 195 nitrous acid, 260
O-containing, 199 O–N bonds
unsaturated, 192, 193 alkyl, 349 –350
C– Cl bonds, 220 amines, 352
C– H bonds armatic, 350, 352
aliphatic, 106 halides, 348–351
aromatic, 41, 44, 106 heterocyclic, 354, 355, 357
isocyanides, 108
imino-, 352
N-containing, 108
nitroso-compounds, 352
O-containing, 108
peracid, 351
C– I bonds, 252
peroxy, 351
N–C bonds
sulfate, 352
azides, 404
unsaturated, 352
iso-, 405
Nitrogen clusters/complexes
N–H bonds, 370, 372
anions, 1219–1234
O –C bonds, 345
cations, 1171 –1219
S–C bonds, 443
Nitro-compounds RNO2, RNO
Nitrosothio
C– C bonds
N– S bonds, 420
aliphatic, 200
No-containing species, 665
CN-containing, 201
Np-containing species
di-nittro-, 200, 201
neutrals, 662
hexa-nitro-, 202
NpC clusters, 662–663
NH-containing, 202
nitrozoamines, 202
penta-nitro-, 202 O
tetra-nitro-, 202
tri-nitro-, 201 organomecury species
C– H bonds O–H bonds, 285
aliphatic, 109–110 Os-containing species
aromatic, 111 neutrals, 851–852
aza-, 111 OsC clusters, 853
cyclic, 110 Oxides OX or OM
NH-containing, 110 O–H bonds, 255
O-containing, 112 Oximes R2CN ZOH and Hydroxylamines R2NOH
C– O bonds, 342–345 O–H bonds
N–Br bonds, 423 aliphatic, 272
amines, 277 Pb –Te bonds, 480

aromatic, 274 Pd-containing species
azacyclic, 282 neutrals, 932–939
bicyclic, 282–283 PdC clusters, 939–940
cyclic, 277–284 PdK clusters, 941
fluorenic, 274 Peroxides, see Hydroperoxides
hydroxamic acid, 275 Peroxys ROO and Trioxides ROOO
imidazoles, 278 O –Br bonds, 367
indolinol, 283, 284 O –C bonds
perrolidines, 278 aliphatic, 338–340
phenanthridine, 284 aromatic, 340
phthalimides, 283 CO-containing, 341
piperdines, 281, 284 cyclic, 340
piperidines, 281 halides, 339
pyrimidines, 281 N-containing, 341
pyrroles, 277 OH-containing, 341
quinolines, 284 unsaturated, 339, 340
Oxygen neutral complexes O –Cl bonds, 366
anions, 1300–1322 O –F bonds, 365
cations, 1259–1299 O –I bonds, 368
neutrals, 1243–1258 O –O bonds, 315– 316
Phones ArOH
O –H bonds
P bi-, 292
chromenes, 294
P-containing compounds di-substituted, 289–290
N–H bonds, 383 free radicals, 308– 309
O –H bonds galvinols, 304
metaphosphoric acid, 261
indophenol, 302
O –O bonds, 319 metal-containing, 306 –308
P –Bi bonds, 487 mono-substituted, 285–289
P –Br bonds, 483 penta-substituted, 292
P –Cl bonds, 483
poly-rings, 295–297
P –F bonds, 483 pyrimidinols, 293
P –H bonds, 481 S-containing, 302
P –I bonds, 483 sterical, 298– 299
P –N bonds, 484 stilbenes, 304
P –O bonds, 484–485 tetra-substituted, 291
P –P bonds, 482 tocopherols, 9, 294
P –S bonds, 485 –486 tri-substituted, 290–291
P –Sb bonds, 487 ubiquinols, 295
P –Se bonds, 486 Phosphorus ions
P –Si bonds, 484 anions, 1236– 1237
P –Te bonds, 486 cations, 1235–1236
P –Tl bonds, 486 Pm-containing species
Pa-containing species neutrals, 623
neutrals, 651 PmC clusters, 623
PaC clusters, 651 Po-containing compounds
Pb-containing compounds Po–Po bonds, 454
Pb–Bi bonds, 480 Polysulfides RSSR 0 , RSnR 0 and RSS
Pb–Br bonds, 479 O –H bonds, 302
Pb–C bonds, 478 S– C bonds, 441 –442
Pb–Cl bonds, 479 radicals, 444
Pb–F bonds, 479 S– H bonds, 430–431
Pb–H bonds, 478 S– S bonds, 433– 435
Pb–I bonds, 479 Pr-containing species
Pb–O bonds, 480 neutrals, 619–620
Pb–Pb bonds, 478 PrC clusters, 620 –621
Pb–S bonds, 480 Pt-containing species
Pb–Se bonds, 480 neutrals, 941–962
Pb–Sn bonds, 479 PtC clusters, 963– 965
PtK clusters, 965–966 Sb–H bonds, 489

Pu-containing species Sb–halogen bonds, 489
neutrals, 663–664 Se–H bonds, 451
PuC clusters, 664 Se–halogen bonds, 451
Si–Br bonds, 465
R Si–Cl bonds, 464
Si–F bonds, 464
Ra-containing species, 599 Si–H bonds, 455
Radicals Si–I bonds, 465
As –H bonds, 487 Sn– Br bonds, 475–476
As –halogen bonds, 487 –488 Sn– Cl bonds, 475
Bi–H bonds, 490 Sn– F bonds, 475
Bi–halogen bonds, 491 Sn– H bonds, 473
C– C bonds Sn– I bonds, 476
alkenyls, 207 Te–H bonds, 453
alkyls, 207–208 Te–halogen bonds, 453
alkynyls, 207 Rare gas complexes
aromatic, 208 anions, 1452
C– H bonds cations, 1446–1452
alkenyls, 136–137 neutrals, diatomic, 1429–1436
alkyls, 134–135 polyatomic, 1436–1446
alkynyls, 136–137 Rb-containing species
aromatic, 139 neutrals, 557–559
C(O)-containing, 144 RbC clusters, 559– 562
cyclic, 137–139 RbK clusters, 562– 563
halogened, 138–143 Re-containing species
N-containing, 144 neutrals,796–799
O-centred, 143–144 ReC clusters, 799–801
P-containing, 145 ReK clusters, 801
S-containing, 145 Rh-containing species
C(O)-containing, 209 neutrals, 882–892
clusters, 205 –207 RhC clusters, 892 –894
halogened, 209 Ru-containing species
N-centered, 210 neutrals, 840–848
O-containing, 209– 210 RuC clusters, 849 –851
S-centered, 210
Ge–Br bonds, 471 S
Ge–Cl bonds, 470
Ge–F bonds, 470 S acids RC(O)SH, see Thio-acids
Ge–H bonds, 467 Sb-containing compounds
Ge–I bonds, 471 Sb–As bonds, 490
N–C bonds, 419 Sb–Bi bonds, 490
N–H bonds, 369, 370, 378 Sb–C bonds, 489
O –C bonds, 346–347 Sb–H bonds, 489
O –H bonds, 308– 309 Sb–halogen bonds, 489
O –N bonds, 353 Sb–N bonds, 490
O –S bonds, 364 Sb–O bonds, 489
P –Br bonds, 483 Sb–P bonds, 490
P –Cl bonds, 483 Sb–Pb bonds, 489
P –F bonds, 483 Sb–S bonds, 490
P –H bonds, 481 Sb–Sb bonds, 489
Pb–Br bonds, 479 Sb–Te bonds, 490
Pb–Cl bonds, 479 Sc-containing species
Pb–F bonds, 479 neutrals, 601–603
Pb–H bonds, 478 ScC clusters, 603– 606
Pb–I bonds, 479 Se-containing compounds
S–Br bonds, 448 Se–C bonds, 452
S–C bonds, 436, 442, 444 Se–H bonds, 451
S–Cl bonds, 447 Se–halogen bonds, 451
S–F bonds, 446 Se–N bonds, 452
Se–O bonds, 452 O –C bonds, 345

Se–P bonds, 452 O –S bonds, 360–363
Se–S bonds, 452 Sulfenic acid RSOH
Se–Se bonds, 451 O –S bonds, 363–364
Se–Te bonds, 452 S– C bonds, 442
Selenium clusters/complexes Sulfides RSR 0 , disulfides RSSR 0
anions, 1346 C –C bonds, 203–204
cations, 1341–1346 C –H bonds
neutrals, 1341 aliphatic, 125–126
Si-containing compounds aromatic, 128
C–H bonds, 100, 131, 133 cyclic, 126 –128
C–O bonds, 344 O-containing, 127, 129
N–C bonds, 418 Si-containing, 131
N–H bonds, 377 N–H bonds, 375, 376
O –H bonds, 261, 304 O –H bonds, 302
O –O bonds, 315 S– C bonds, 438 –439
Si–Br bonds, 465 S– H bonds, 430
Si–C bonds, 460–462 S– O bonds, 364
Si–Cl bonds, 464–465 Sulfonamides RSO2NR2
Si–F bonds, 463–464 N–H bonds, 374
Si–Ge bonds, 467 Sulfones RSO2R 0
Si–H bonds, 455 –459 C –H bonds
Si–I bonds, 465 aliphatic, 129
Si–Mn bonds, 467 aromatic, 129, 131
Si–N bonds, 463 di-sulfonyl, 130
Si–O bonds, 462– 463 C –S bonds, 442
Si–P bonds, 466 N–H bonds, 374, 376
Si–S bonds, 466 N–N bonds, 440
Si–Se bonds, 450,466 N–S bonds, 421
Si–Si bonds, 459 –460 O –C bonds, 364
Si–Sn bonds, 467 S– halogen bonds, 446
Si–Te bonds, 466 S– O bonds, 363–364
Silicon neutral complexes Sulfonic acids RSO3H
anions, 1153
O –H bonds, 261
cations, 1147–1152 O –S bonds, 363
neutrals, 1140 –1147 Sulfoxides RSOR 0
Sm-containing species
C –H bonds, 129
neutrals, 623 –626
S– C bonds, 442
SmC clusters, 626 S– H bonds, 428
Sn-containing compounds S– halogen bonds, 446, 447, 448
O –O bonds, 315
S– O bonds, 364
Sn–Br bonds, 475– 476
Sulfur clusters/complexes, 917
Sn–C bonds, 476–477
anions, 1331– 1341
Sn–Cl bonds, 475
cations, 1325–1331
Sn–F bonds, 475
Sn–Ge bonds, 475
Sn–H bonds, 473 –474
Sn–I bonds, 476 T
Sn–O bonds, 477
Sn–Pb bonds, 475 Ta-containing species
Sn–S bonds, 477 neutrals, 708–711
Sn–Se bonds, 477 TaC clusters, 711–712
Sn–Si bonds, 467 Tb-containing species
Sn–Sn bonds, 474 –475 neutrals, 630–631
Sn–Te bonds, 477 TbC clusters, 631
Sr-containing species Tc-containing species
neutrals, 591 –593 neutrals, 785
SrC clusters, 593– 595 TcC clusters, 795 –796
Sulfates Tellurides or Te-containing compounds
O –S bonds, 362– 363 Te–H bonds, 453
Sulfenate RSOR Te–halogen bonds, 453
Te–O bonds, 453 Tin clusters/complexes

Te–P bonds, 454 anions, 1159
Te–S bonds, 453 cations, 1157 –1159
Te–Sb bonds, 456 neutrals, 1156–1157
Te–Se bonds, 453 Tl-containing species
Te–Te bonds, 454 neutrals, 1084– 1085
Tellurium cations, 938 –942 TlC clusters, 1086
anions, 1349 Tm-containing species
cations, 1346–1349 neutrals, 637–638
Th-containing species TmC clusters, 638–639
neutrals, 643–650
ThC clusters, 650–651 U
Thiazyl compounds NSR
N–S bonds, 420–421 U-containing species
Thio-acid RC(O)SH neutrals, 651–660
S–C bonds, 438 UC clusters, 660–662
S–H bonds, 438
Thio-aldehydes RC(S)H
C– H bonds, 125
V
Thio-amides RC(S)NR2 0
V-containing species
N–H bonds, 372
neutrals, 689–691
Thio-esters RC(O)SR 0
VC clusters, 692–699
S–C bonds, 440
VK clusters, 699–700
Thio-ketones RC(S)R 0
C– Cl bonds, 231
N–H bonds W
thiourea, 372
Thiols RSH and ArSH Water
C– C bonds O–H bonds, 255
aliphatic, 203–204 W-containing
aromatic, 204 O–C bonds, 345
W-containing species
diiols, 204
neutrals, 751–777
C– H bonds, 128
WC clusters, 778 –780
N–S bonds, 420
WK clusters, 780
S–C bonds
aliphatic, 436–438
aromatic, 438 Y
cyclic, 437, 438
S–H bonds Y-containing species
aliphatic, 426–427 neutrals, 607–609
aromatic, 427–428 YC clusters, 610–611
halogened, 425, 428 Yb-containing species
thio-a-tocopherols, 430 neutrals, 639–640
S–O bonds, 360, 363 YbC clusters, 640
Thiones
N–H bonds, 372 Z
S–As bonds, 450
S–P bonds, 449 Zn-containing species
S–Sb bonds, 450 neutrals, 1027– 1030
Ti-containing species ZnC clusters, 1031–1033
neutrals, 667–673 Zr-containing species
TiC clusters, 673–678 neutrals, 679–683
TiK clusters, 678 ZrC clusters, 683 –685
Index of compound names
A adamantyl iodide, 1-, 252

adamantyl nitrate, 1-, 344
aceanthrenone, 1-, 92 adduct of BH3 and S(CH3)2, 126
aceanthrenone, 2-, 92 adduct of hydroxycyclohexadienyl, 341
acenaphthene, 57 adduct of OH and SCS, 263
acenaphthenone, 1-, 92 adduct, 364
acenaphthylene radical, 57 adenine, 392
acenaphthylene, 56 alanine anhydride, 121
acetadehyde, 83, 85, 181 alanine, 189, 190, 199
acetaldimine, 412 alklyl-1,3-dithianes, 4-, 121
acetamide, 199, 373, 414 alkoxy acids, 265
acetenyl radical, 135 alkyl ethyl disulfide, 442
acetic acid anhydride, 97 alkyl ethyl polysulfide, 442
acetic acid ethyl ester, 96 alkyl hydroperoxide, 268, 312
acetic acid isopropyl ester, 97 alkyl hydrotrisulfide, 433
acetic acid methyl ester, 96, 189 alkyl nitrate, 350, 353
acetic acid phenyl ester, 97, 336 alkyl nitrite, 350
acetic acid, 93, 187, 262, 334 alkyl phenyl disulfide, 442
acetic anhydride, 337 alkyl tetrasulphide radicals, 435
acetic ion, 93 alkyl thiol, 427
acetohydrazide, 374 alkyl trisulphide radicals, 435
acetone, 85 alkyl-1,3-dithiepanes, 2-, 128
acetonitrile pyridinium chloride, 1-, 108 alkyl-1,3-dithiolanes, 2-, 126
acetonitrile trimethyl-ammonium chloride, alkyl-2H-3,4,5,6-tetra-hydropyrans, 2-, 79
1-, 108 alkyldioxaborolanes, 133
acetonitrile, 106, 192 alkylhydrodifulfide, 432
acetyl bromide, 241 alkyloxy(2-nitrophenyl)amine, 381
acetyl chloride, 85, 181, 229 alkyl-thio-2H-3,4,5,6-tetra-hydropyrans, 2-, 127
acetyl fluoride, 85, 181, 216 allene, 26
acetyl iodide, 252 allyl hydroperoxide, 268
acetyl peroxide, 341 allyl alcohol, 71, 178, 321
acetyl peroxy, 341 allyl methyl ketone, 86
acetylamino acetic acid, 2-, 120 allyl methyl sulphone, 381, 443
acetylamino propanioc acid, 2-, 120 allyl peroxy, 239
acetylene, 24, 154 allyl phenyl ether, 331
acetylene, substituted, 24 allyl radical, 136
acyl peroxides, 317, 319 allyl triphenyl phosphonium, 30
adamantane, 39 aminino-benzeneacetic acid, a-, 419
adamantanol, 1-, 259, 323 amino-acid, 429
adamantyl bromide, 1-, 239 amino-3-quinoixalinecarbo-nitrile-1,4-dioxide, 2-, 358
adamantyl chloride, 1-, 226 amino-3-sulfanylpropanoic acid, 2-, 429
adamantyl compounds, 154 amino-4-methyl-3-sulfanylpentanoic acid, 2-, 429
1633
aminoazobenzene, p-, 417 azacyclopentyldiazomethen, 405

aminoethan-1-ol, 2-, 180 azadiazophenylmethane, 404
aminoethane-1-thione, 1-, 372 azaprop-1-ene, 2-, 102
aminoethanenitrile, 2-, 108 azide cation, 396
aminomethanamidine, 372 azide radical, 396
aminomethylnitrosoamino, 299 azo-2-butane, 416
amino-N-nitroso-N-phenyl-amide, substituted, 399 azobenzene, 417
aminophenylmethane-1-thione, 372 azobenzene-N,N-dioxides, substituted, 403
aminopyridine, 389 azobutane, 416
aminotriphenylphosphonium bromides, 383 azoethane, 416
ammonia, 369 azohexafluoroethane, 416
amonomethanenitrile, 372, 419 azoisobutane, 416
aniline phosphonium bromide, substituted, 383 azoisopropane, 416
aniline, 378, 413 azomethane, 416
anilines, di- and trisubstituted, 379 azo-N,N-dioxides, 403
anilines, substituted, 378 azotertbutane, 416
anisole, 8, 329 azotoluene, 417
anisoles, substituted, 329 azoxy compounds, 356
anthracenes, substituted, 58 azoxybenzenes, substituted, 356
anthracenyl hydroperoxide, 9-, 271
anthracenyl bromide, 9-, 241 B
anthracenyl-2 phenyl ketone, 88
anthracenyl-9 phenyl ketone, 88 benzaldehyde, 84, 183
anthracenylmethanes, substituted, 9-, 57 benzaldehyde, substituted, 84
antimony arsenide, 488, 490 benzamide, 200, 373, 411
antimony bromide, 489 benzanthrene, 59
antimony chloride, 489 benzenacetic acid, 94
antimony clusters, 489 benzenamine, 413
antimony fluoride, 489 benzendisulfur radicals, 444
antimony hydrides, 489 benzene, 40
antimony monosulfide, 490 benzene, substituted, 40-41, 301
antimony monotelluride, 490 benzenecarbohydrazide, 374
antimony monoxide, 489 benzenecarboxamidine, 375
antimony nitride, 490 benzenemethanethiol, 438
antimony phosphide, 487, 490 benzeneperoxycarboxylic acid, 269
antion, 306 benzenesulfonamide, 374
arsenic chloride, 488 benzenethiol, 427, 428, 438
arsenic clusters, 487 benzenethiol, substituted, 427
arsenic fluoride, 487 benzo furoxans, 359
arsenic hydrides, 487 benzoanisole, 3,4-, 331
arsenic iodide, 488 benzo-cyclo-butadiene, 47
arsenic monoselenide, 488 benzo-cyclo-butene, 47
arsenic monosulfide, 488 benzo-cyclo-butenone, 47
arsenic monoxide, 488 benzo-cyclo-propene, 47
arsenic nitride, 488 benzofluorence, 1,2-, 59
arsenic phosphide, 488 benzofluorence, 2,3-, 60
artemisinin, 320 benzofurazan N-oxides, substituted, 355
ascaeidole, 239 benzoic acid, 145, 192, 193, 251
aza-1,2-diphenyl-vinyl phenylamine, (1Z)-, 375 benzoic acids, substituted, 264
aza-1-diazo-2,2,2-trinitroethane, 1-, 405 benzoic anhydride, 337
aza-1-diazo-2,2,2-triphenylethane, 1-, 405 benzolphenoxy methyl-naphthalene, 1-, 331
aza-1-diazo-2,2-dinitroprop-1-ene, 1-, 304 benzonitrile N-oxide, substituted, 355
aza-1-diazo-2-phenylethane, 1-, 405 benzonitrile, 193
aza-1-diazoethane, 1-, 404 benzonyl chloride, 183
aza-1-diazopent-1-en-3-one, 1-, 403 benzoyl bromide, 242
aza-1-methyoxy-3-phenyl-2-benzylpro-1-ene, 1-, 111 benzoyl chloride, 229
aza-2-methoxy-1,1-phenylvinylamine, 1Z-2-, 118 benzoyl iodide, 252
aza-3-diazoprop-3-en-1-ol, 3-, 405 benzoylthiolate, substituted, 429
aza-4-diazobut-4-en-2-one, 4-, 402 benzyl alcohol, 72, 179, 259, 323
aza-bicyclo(2.2.1)heptan-7-ol, 7-, 282 benzyl azide, 402
azacyclohexyldiazomethen, 404 benzyl azide, p-NO2-, 403
Index of Compound Names 1635
benzyl bromide, 241 bismuth iodide, 491

benzyl chloride, 227 bismuth monoselenide, 491
benzyl chloride, substituted, 227 bismuth monosulfide, 491
benzyl dibutylsulfonium, substituted, 131 bismuth monoxide, 491
benzyl dimethylamine, 198, 415 bismuth phosphide, 487, 492
benzyl dimethylsulfonium bromide, 131 bismuth telluride, 492
benzyl hydroperoxide, 269 bromine dioxide, 367
benzyl hydroperoxide, p-NO2-, 269 bromine hydroperoxide, 310
benzyl iodide, 251 bromo peroxy, 367
benzyl methyl ether, substituted, 75 bromo trioxide, 367
benzyl methyl ketone, 87, 185 bromo-1,1-difluoroethane, 1-, 170, 236
benzyl methyl sulphide, 440 bromo-1-chloro-2,2,2-trifluoroethane, 1-, 66, 168, 236
benzyl methyl sulphone, 129, 443 bromo-1-phenylethan-1-one, 2-, 242
benzyl methylamine, 198, 414 bromo-1-propene, (E)-1-, 237
benzyl nitrosothio, 420 bromo-1-propene, (Z)-1-, 237
benzyl peroxy, 340 bromo-1-propene, 3-, 237
benzyl phenyl ketone, 88, 185, 186 bromo-2,2,2-trifluoroethane, 1-, 168
benzyl phenyl sulfide, 440 bromo-2,2-dimethyl-propane, 1-, 239
benzyl phenyl sulphide, 128 bromo-2,6-piperidione, 1-, 424
benzyl phenyl sulphone, 130 bromo-2-chloro-1,1,2-trifluoroethane, 1-, 170
benzyl pyridine, 2-, 115 bromo-2-chloroethane, 1-, 172, 237
benzyl pyridine, 3-, 116 bromo-2-methyl-butane, 2-, 239
benzyl pyridine, 4-, 116 bromo-2-methyl-propane, 1-, 238
benzyl pyridinium chloride, 1-, 117 bromo-2-methylpropane, 2-, 238
benzyl radical, 139 bromoacetic acid, 187
benzyl tert-butyl sulphone, 130 bromoacetic acid, 2-, 242
benzyl trifluoromethyl sulphone, 130 bromoacetone, 1-, 242
benzyl trimethylammonium bromide, 105 bromoacetone, 183
benzyl trimethylammonium chloride, 105 bromo-alkanes, 1-, 238
benzyl-1,3-oxazolidin-2-one, 4-, 387 bromo-alkanes, 2-, 238
benzylamine, 371, 413 bromobenzenes, substituted, 240
benzylcyanide, 194, 195 bromo-but-1-nen, 3-, 238
benzylidene N-oxides, substituted, 356 bromo-but-1-nen, 4-, 238
benzylphenylthioamine, 273 bromobutane, 1-, 138, 174
biacetyl, 186 bromobutane, 2-, 138, 174
bibenzoyl, 186 bromochlorodifluoromethane, 212, 234
bibenzyl ketone, 186 bromochloroethane, 1,1-, 171, 223, 237
bibenzyl, 164 bromochlorofluoroiodomethane, 234, 245
bicyclo-octane, 37 bromochlorofluoromethane, 63, 212, 213
bifluoroformyloxy, 316 bromochloroiodomethane, 245
bipentafluorophenyl, 177 bromochloromethane, 63, 219, 220, 234
biphenols, 292 bromochloromethyl radical, 140
biphenyl, 164 bromo-cyclo-heptane, 239
bis(1,1-dimethyl-1-silaethyl)-amine, 377 bromo-cyclo-hexane, 239
bis(1,1-dimethyl-silaethyl)-methylamine, 418 bromodichlorofluoromethane, 219, 234
bis(4-hydroxyphenyl)methane, 45 bromodichloroiodomethane, 245
bis(difluoroamino) propane, 2,2-, 411 bromodichloromethane, 63, 234
bis(difluoromethyl) ether, 74 bromodiiodomethane, 235
bis(dimethylphosphino)methane, 133 bromodispiro[2.1.2.0]heptane, 1-, 239
bis(fluorosulfuryl)fluoramine, 421 bromodispiro[2.1.2.1]octane, 1-, 240
bis(phenylamino)methne-1-thione, 372 bromo-eth-1-yl radical, 1-, 142
bis(trifluoroacetyl) peroxide, 317, 338 bromo-eth-1-yl radical, 2-, 142
bis(trifluoromethyl) peroxide, 338 bromoethane, 67, 172, 237
bis(trifluoromethyl) peroxy-dicarbonate, 317 bromoethanenitrile, 2-, 236
bis(trimethylsilyl)methane, 133 bromoethyl benzene, 2-, 241
bismuth antimonide, 490, 492 bromoethylbenzene, 1-, 241
bismuth bromide, 491 bromoethyne, 167, 235
bismuth chlorides, 491 bromofluoromethane, 213, 234
bismuth clusters, 391 bromo-heptafluoropropane, 1-, 237
bismuth fluorides, 491 bromo-heptafluoropropane, 2-, 238
bismuth hydrides, 490 bromohexane, 1-, 175
bromoiodomethane, 235, 245 butyl acetate, 335

bromo-isopropyl benzene, 1-, 241 butyl alcohol, 71, 258
bromomethane, 64, 235 butyl methyl ether, 327
bromomethyl hydroperoxide, 267 butyl methyl ketone, 185
bromomethyl benzene, 176 butyl methyl sulphide, 438
bromonaphthalene, 1-, 241 butyl methyl sulphone, 443
bromonaphthalene, 2-, 241 butyl nitrine, 343
bromonitrooxy, 349, 350, 367 butyl nitrite, 349
bromopentafluorobenzene, 240 butyl tert-butyl ether, 328
bromopentafluoroethane, 236 butyl vinyl ether, 327
bromopentane, 1-, 175 butylamine, 1-, 412
bromoperoxide, 311 butylamine, 102
bromopropane, 1-, 237 butylamine, 2-, 412
bromopropane, 2-, 237 butylbenzene, 162
bromopropanoic acid, 2-, 242 butyl-cyclo-hexane, 154
bromopropanoic acid, 3-, 242 butyn-1-ol, 3-, 179
bromopropene, 1-, 69 butyne, 1-, 24, 135
bromosilane, 465
butyne, 2-, 24, 135
bromosilane-1,1,1-triol, 465
butynedinitrile, 2-, 192, 196
bromotoluenes, substituted, 240
bytadiene, 1,3-, 26
bromotrichloromethane, 219, 234
bromotrifluoromethane, 233
bromotriiodomethane, 235
bromotrinitromethane, 243 C
bromovinyl benzene, 1-, 240
caprolactone, 3-, 100
bromovinyl benzene, 2-, 241
carbazole, 392
but-1-en-3-yne, 155
carbazole, 9H-, 386
buta-1,2-diene, 26
carbene, 136
buta-1,3-diyne, 155
butadien-4-yl radical, 1,2-, 137 carbon dioxide, 342
butadiene, 1,2-, 156 carbon disulfide, 436
butadiene, 1,3-, 156 carbon monosulfide, 436
butadiene, 2-methyl, 1,3-, 156 carbon monoxide, 342
butan-3-yl radical, 1-, 137 carbon oxysulfide, 342, 436
butanal, 182, 183 carbon phosphide, 484
butane, 20, 147, 148 carbonyl chloride, 229
butane-1,3-diol, 73 carboxylic acid, 93
butane-2,3-diol, 73 carboxylic acid, substituted, 95
butane-2,3-dione, 90 cationic niobium h2-acyl, 44
butanedinitrile, 195 CH2N radicals, 404
butanedioic acid, 95, 190 chloramide, 423
butanediol, 1,4-, 73 chlorine azide, 423
butanediol, 2,3-, 180 chlorine dioxide, 366
butanenitrile, 193, 194 chloro peroxy, 366
butanethiol, 1-, 203, 437 chloro trioxide, 367
butanethiol, 2-, 437 chloro-1,1,2-trifluoro-2-iodo-ethane, 1-, 247
butanoic acid, 187, 190, 262, 334, 335 chloro-1,2,2-trifluoro-ethane, 2-, 66
butanol, 1-, 179, 257, 322 chloro-1-fluoroethane, 1-, 170
butanol, 2-, 179, 257, 322 chloro-1-phenylethan-1-one, 2-, 229
butanoyloxy butanoate, 317 chloro-1-propene, 3-, 223
buten-1-ol, 3-, 179 chloro-2,2,2-trifluoro-ethane, 1-, 66
buten-3-yl radical, 1-, 136 chloro-2,2-dimethyl-propane, 1-, 225
buten-4-yl radical, 1-, 136 chloro-2-bromoethane, 1-, 247
butenal, (Z)-2-, 182 chloro-2-butene, 1-, 224
butene, (E)-2-, 26, 156 chloro-2-fluoro-ethylene, (Z)-1,2-, 68
butene, (Z)-2-, 26, 156 chloro-2-iodo-ethane, 1-, 247
butene, 1-, 27, 156 chloro-2-methyl-1-propene, 3-, 213
butenenitrile, 2-, 192, 193 chloro-2-methylbutane, 2-, 225
butenenitrile, 3-, 193, 194 chloro-2-methylethyl-peroxy, 2-, 340
butenyl-2-peroxy, 340 chloro-2-methylpropane, 1-, 224
butoxyethyl benzene, 1-, 331 chloro-2-methylpropane, 2-, 224
chloro-2-nitrosopropane, 2-, 406 chloromethylthio, 447

chloro-3-methyl-butane, 2-, 175 chloromethylthiomethane, 231
chloroacetamides, 230, 231 chloronaphthalene, 1-, 228
chloroacetic acid methyl ester, 189 chloronaphthalene, 2-, 228
chloroacetic acid, 2-, 229, 262 chloronitrooxy, 348, 350, 367
chloroacetic acid, 93, 187 chlorooxirane, 2-, 191
chloroacetone, 184 chloropentafluorobenzene, 227
chloroacetyl chloride, 182 chloropentafluoroethane, 168, 221
chloroacetyl chloride, 2-, 229 chloropentane, 1-, 175, 225
chloroalkanes, 1-, 225 chloroperoxide, 311
chloroalkanes, 2-, 225 chlorophenylsulfone, 448
chloroallyl peroxy, 2-, 340 chlorophenylthio, 447
chlorobenzenes, substituted, 226 chloro-pro-1-yl radical, 1-, 142
chloro-but-1-ene, 3-, 225 chloro-pro-2-yl radical, 2-, 142
chloro-but-1-ene, 4-, 225 chloropropane, 1-, 68, 173, 223
chlorobutane, 1-, 174, 175, 224 chloropropane, 2-, 173, 223
chlorobutane, 2-, 174, 224 chloropropanoinc acid, 2-, 187
chlorobutene, 4-, 174, 224 chloropropene, 1-, 68, 223
chloro-cyclo-hentane, 226 chloropropionic acid, 2-, 230
chloro-cyclo-hexane, 226 chloropropylsulfone, 448
chlorocyclohexane, 227 chloropyrazine, 232
chlorodifluoromethane, 62, 218 chloro-ropropanoic acid methyl ester, 1-, 190
chlorodifluoromethyl nitroperoxy, 351 chlorosilane, 464
chlorodifluoromethyl peroxy, 338 chlorosilane-1,1,1-triol, 465
chlorodifulfide, 447 chlorothioformyl chloride, 231
chlorodiiodomethane, 220 chlorotrifluoroethele, 166
chlorodisulfane, 432 chlorotrifluoroethylene, 214, 220
chloro-eth-1-yl radical, 1-, 142 chlorotrifluoromethane, 218
chloro-eth-1-yl radical, 2-, 142 chlorotriiodomethane, 220
chloroethane, 67, 171, 223 chlorotrioxide, 316
chloroethanenitrile, 2-, 210 chloro-vin-1-yl radical, 1-, 141
chloroethlene, 167 chroman-6-ol, substituted, 293
chloroethyl benzene, 2-, 228 chromane, 294, 344
chloroethyl ethyl ether, 1-, 326 chromene, substituted 2,2,5,7,8-pentamethyl,
chloroethyl ethyl ether, 2-, 326 2H-, 295
chloroethyl hydroperoxide, 2-, 267 chromium tricarbonyl, 89
chloroethyl methyl ether, 1-, 326 cinnamyl-4-nitrobenzenr sulfenate, 345
chloroethyl methyl ether, 2-, 325 cis-cis-peronitrous acid, 311
chloroethyl peroxy, 2-, 339 cis-hydroxystilbene substituted, 304
chloroethyl vinyl ether, 2-, 325 CN radical, 403
chloroethylbenzene, 1-, 228 CNN radicals, 404
chloroethylene, 68 coenzyme B12, substituted, 203
chloroethylsulfone, 448 CoII(H2bim), 395
chloroethyne, 167, 220 cubane, 37
chlorofluoromethane, 62, 211, 212, 218 cyanoacetic acid, 2-, 120
chlorofluoromethyl radical, 140 cyanoamino radical, 370
chlorofluorotrioxide, 316 cyanogen azide, 404
chloroformyl chloride, 361 cyanogen bromide, 233
chloroformyl fluoride, 216, 229 cyanogen chloride, 218
chlorohexane, 2-, 175 cyanogen fluoride, 211
chloroiodomethane, 220, 245 cyanogen iodide, 243
chloro-isopropyl benzene, 1-, 228 cyanogen, 191
chloromethane, 63, 210 cyclic hydroperoxides, 271
chloromethyl benzene, 176 cyclo-1-ene-1,2-dicarrboxylic acid, 94
chloromethyl hydroperoxide, 267 cyclo-butacarboxylic acid, 94
chloromethyl hydro-peroxide, a-Co2 K-, 270 cyclo-butalcarboxylic acid, 94
chloromethyl peroxy, 339 cyclo-butane, 32
chloromethyl pyridines, 231 cyclo-butanecarbonitrile, 193
chloromethyl radical, 140 cyclo-butanecarboxylic acid, 263
chloromethylene, 140 cyclo-butyl radical, 137
chloromethylsulfone, 448 cyclo-butylacetic acid, 2-, 263
cyclo-butylamine, 412 cyclo-pentylbenzene, 45

cyclo-decane, 39 cyclo-pentylpropene, 3-, 161
cyclo-dodecane, 39 cyclo-pexanol, 259
cyclo-heptadiene, 1,3-, 36 cyclo-propane, 31
cyclo-heptane, substituted, 36 cyclo-propanecarboxylic acid, 263
cyclo-heptanecarboxylic acid, 264 cyclo-propene, 31
cyclo-heptatriene, 1,3,5-, 36 cyclo-propyl methyl radical, 137
cyclo-heptene, 30 cyclo-propyl radical, 137
cyclo-heptenyl radical, 138 cyclo-propylamine, 412
cyclo-heptyl radical, 139 cyclo-propylbenzene, 162
cyclo-hetyl peroxy, 340 cyclo-undecane, 39
cyclo-hex-1-enecarboxylic acid, 94 cyclo-undercanane, oximes, 273
cyclo-hexa-1,3-dien-5-yl radical, 138
cyclo-hexa-1-en-3-yl radical, 138
cyclo-hexacarboxylic acid, 94 D
cyclo-hexadiene, 1,3-, 34
cyclo-hexadiene, substituted, 1,4-, 34 deca-2,7-diene, E,E-, 30
cyclo-hexadienyl peroxy, 340 decalin, (E)-, 39
cyclo-hexadione, 1,3-, 259 decalin, (Z)-, 39
cyclohexalacetic acid, 2-, 264 decanal, 83
cyclo-hexalamines, substituted, 113 decanethiol, 427
cyclo-hexane, substituted, 35–36 decanoic acid, 263, 334
cyclo-hexanecarbonitrile, 193 decanol, 72
cyclo-hexanecarboxylic acid, 264 decediene, Z,Z-2,8, 30
cyclo-hexanethiol, 427, 438 decyne, 5-, 25
cyclo-hexanol, 72, 323 dehydro-1,3-quinodimethane, 5-, 40
cyclo-hexanone, 91 deuterated ammonias, 369
cyclo-hexanone, oximes, 273 di(2-naphthyl)amine, 386
cyclo-hexaxyl-cyclo-hexane, 154 di(ethyl sulphonyl) methane, 130
cyclo-hexene, 35 di(isopropyl sulphonyl) methane, 130
cyclo-hexene, substituted, 35 di(methyl sulphonyl) methane, 130
cyclo-hexenyl peroxy, 340 di(pentafluorophenyl)-acetonitrile, 107
cyclo-hexyl azide, 402 di(phenyl sulphonyl) methane, 130
cyclo-hexyl hydroperoxide, 338 di(phenylthio) methane, 131
cyclo-hexyl methyl ether, 75 di(phenylthio)phenyl methane, 128
cyclo-hexyl nitrosothio, 420 di(sulfur pentafluoro) peroxide, 315
cyclo-hexyl radical, 138 di(sulfur pentafluoro) trioxide, 315
cyclo-hexyl-2-phenyl-ethanenitrile, 2-, 107 di(t-butyl sulphonyl) methane, 130
cyclo-hexylamine, 413 di(trifluoromethyl sulphonyl) methane, 130
cyclo-hexylbenzene, 45 di(a-CN-propyl)phosphine, 482
cyclo-nonanes, substituted, 38 di-2-naphthamine, 377
cyclo-octadiene, 38 diacelhydrazine, 374
cyclo-octane, substituted, 38 diacetamide, 374
cyclo-octanyl radical, 139 diacetyl peroxide, 317
cyclo-octene, 39 diacetylene, 24
cyclo-penen-1-ol, 259 dialkel-1,3-dithianes, 2,4-, 127
cyclo-pent-2-en-1-ol, 72 dialkyl disulfide ions, 435
cyclo-pentadiene, substituted, 1,3-, 32 dialkyl disulphide, 433
cyclo-pentane, substituted, 39 dialkyl peroxide, 314
cyclo-pentanecarbonitrile, 193 dialkyl polysulfide, 434
cyclo-pentanecarboxylic acid, 263 dialkyl tetrasulfide, 434
cyclo-pentanethiol, 437 di-alkyloxyethanes, 1,1-, 76
cyclo-pentanol, 323 di-alkyloxy-isobutanes, 1,1-, 76
cyclo-pentanone, substituted, 91 dialkyloxymethenes, 76
cyclo-pent-en-3-yl radical, 137 di-alkyloxy-toluene, 1,1-, 77
cyclo-pentene, 33 diaryl-4-phenyl-1,2,3,4-tetrahydro-sym-tetrazines,
cyclo-pentene, 3-methyl, 160 2,6-, 394
cyclo-pentyamine, 413 diazabicyclo(2.2.2)octane, 1,4-, 113
cyclo-pentyl methyl sulphide, 439 diazabicyclo[2.2.1]-hept-2-ene N-oxide, 2,3-, 355
cyclo-pentyl radical, 137 diazabicyclo[2.2.1]-hept-2-ene N-oxide, 2,3-, 357
cyclo-pentylacetic acid, 2-, 264 diazaperhydroine-2,5-diones, substituted, 1,4-, 124
diazene, 369 dichloro-eth-1-yl radical, 2,2-, 142

diaziridine, 1,2-, 387 dichloroethane, 1,1-, 66, 171
diazocarbene, 112 dichloroethane, 1,2-, 171
diazomethyl radical, 111 dichloroethanenitrile, 2,2-, 229
diazomethylene, 404 dichloroethlene, 1,1-, 167, 222
dibenzo(b,f)azepine, 5H-, 393 dichloroethlene, 1,2-, 167, 222
dibenzo(b,f)azepine, 5H,10H,11H-, 393 dichloroethyl hydroperoxide, 2,2-, 267
dibenzoylhydrazine, 374 dichloroethyl peroxy, 2,2-, 339
dibenzyl ether, substituted, 75 dichloroethylene, (E)-1,2-, 67, 221
dibenzyl ketone, 88 dichloroethylene, (Z)-1,2-, 221
dibenzyl sulphide, 204 dichloroethylene, 1,2-, 221
dibromine oxide, 367 dichloroethyne, 1,2-, 167, 220
dibromo-1,1,2,2-tetrafluoroethane, 1,2-, 236 dichloroethyne, 221
dibromo-1,2-dichloro-ethane, 1,2-, 171 dichlorofluoromethane, 62, 212, 218
dibromo-1-chloro-2,2,2-trifluoroethane, 1,1-, 236 dichlorofluoromethyl nitroperoxy, 351
dibromo-2-phenylethyl benzene, 1,2-, 241 dichlorofluoromethyl peroxy, 339
dibromo-9-nitrosocarbazole, 3,6-, 401 dichloroiodomethane, 245
dibromobutane, 1,4-, 174 dichloromethane, 63, 219
dibromobutane, 2,2-, 175 dichloromethyl benzene, 227
dibromobutane, 2,3-, 174 dichloromethyl hydroperoxide, 267
dibromocarbazole, 3,6-, 393 dichloromethyl hydro-peroxide, a-Co2 K-, 270
dibromochlorofluoromethane, 162, 213, 234 dichloromethyl peroxy, 339
dibromochloroiodomethane, 245 dichloromethyl radical, 140
dibromochloromethane, 63, 219, 234 dichloroperoxide, 310
dibromodichloromethane, 219, 235 dichlorophenoxy-1 0 ,5 0 -dichloro-phenyl-6,2 0 -ether,
dibromodifulfide, 446 2,4-, 297
dibromoethane, 1,1-, 67, 171 dichloropropane, 1,2-, 173
dibromoethane, 1,2-, 171, 172 dichloropropane, 1,3-, 173, 223
dibromoethylene, (E)-1,2-, 230 dichlororopane, 2,2-, 173
dibromoethylene, (Z)-1,2-, 235 dichlorotetrafluoroethane, 1,2-, 169
dibromofluoromethane, 213 dichlorotetrafluoroethane, 221
dibromoiodomethane, 245 dichloro-vin-1-yl radical, 1,2-, 141
dibromomethane, 64, 235 dicyclo-hexylamine, 113
dibromomethyl radical, 140 dicyclohexyloxymethane, 81
dibromopropane, 1,2-, 173 dicyclo-hexylphosphine, 482
dibromopropane, 1,3-, 237 didehydrophenyl radical, 3,5-, 139
dibutyl disulphide, 433 didehydrophenyl, 3,5-, 40
dibutyl ether, 74, 328 diethoxy 2-phenylpropane-1,3-dione, 99
dibutyl ketone, 87 diethoxy sulfate, 363
dibutyl peroxide, 213 diethyl 2-(1,1-dimethyl-1silaethyl) propane-1,
dibutylamine, 103 3-dioate, 100
dibutylphosphine, 482 diethyl 2,2-dibromopropane-1,3-dioate, 243
dibutylthio-3-methylbutane, 1,1-, 126 diethyl 2,2-dichloropropane-1,3-dioate, 230
dichlorine dioxide, 366 diethyl 2-bromopropane-1,3-dioate, 243
dichlorine monoxide, 366 diethyl 2-ethyl propane-1,3-dioate, 99
dichlorine trioxide, 311, 366 diethyl disulfide, 126, 433
dichloro-1,1,1-trifluoropropane, 3,3-, 173 diethyl ethane-1,2-dioate, 98
dichloro-1-nitro-propane, 1,1-, 407 diethyl ether, 74, 325
dichloro-2-butene, 1,4-, 224 diethyl ketone, 86, 184
dichloro-2-hydro-peroxyethane, 2,2-, 269 diethyl peroxide, 313, 338
dichloro-2-hydroperoxy-ethanenitrile, 2,2-, 270 diethyl sulfoxide, 361
dichloroacetic acid, 2,2-, 229 diethyl sulphide, 439
dichloroacetyl chloride, 182 diethyl(iminophenylmethyl)-amine, 375
dichlorobutane, 1,2-, 175 diethyl(nitrosophenylamino)-phosphino-1-one,
dichlorobutane, 1,3-, 173 substituted, 400
dichlorobutane, 1,4-, 174 diethyl(phenylamino)-phosphino-1-one, 382
dichlorodifluoromethane, 212, 218 diethyl-1,3-dioxanes, 3,3-, 81
dichlorodifulfide, 447 diethyl-2-germabutyl tert-butyl peroxide, 2,2-, 315
dichlorodisulfane, 432 diethyl-2-stannabutyl tert-butyl peroxide, 2,2-, 315
dichloro-eth-1-yl radical, 1,1-, 142 diethylamine, 102
dichloro-eth-1-yl radical, 1,2-, 142 diethyl-ethanol, 1,1-, 258
diethylphosphine, 482 diiodomethane, 64, 246

diethylphosphino diethyl-phosphine, 483 diiodomethyl radical, 141
diethylsulfone, 362 diiodoperoxide, 311
diethylthio-3-methylbutane, 1,1-, 126 diiodopropane, 1,3-, 249
diethylthio-ethane, 1,1-, 126 di-iso-propyl ketone, 87, 328
difluorine monoxide, 365 di-iso-propyl ether, 74
difluoro disulfur, 432 di-iso-propyl ketone, 87
difluoro(trifluoromethyl)-amine, 411 di-iso-propyl peroxide, 313
difluoro-1,1-diphenyl-propyl benzene, 3,3-, 178 di-iso-propylamine, 103
difluoro-1-chloro-ethane, 1,1-, 66, 222 diketene, 191
difluoro-1-iodoethane, 1,1-, 247 dimethoxy sulfate, 362
difluoro-2-chloroethylene, 1,1-, 67 dimethoxygermane, 469
difluoro-2-silaeth-1-ene, 461 dimethoxymethane, 336
difluoroamine, 422 dimethoxyphenylmethane, substituted, 77
difluoroamonia, 369 dimethy-1-butene, 2,3-, 29, 159
difluorobromoiodomethane, 244 dimethy-1-butyne, 2,2-, 155
difluorobromomethane, 62 dimethy-1-pentyne, 2,2-, 155
difluorochloroiodomethane, 244 dimethybenzyl alcohol, 1,1-, 323
difluorodibromomethane, 234 dimethyl- 1,4-dioxane, 2,5-, 81
difluorodiiodomethane, 244 dimethyl 2-methyl propane-1,3-dioate, 98
difluorodisulfane, 432 dimethyl benzylamine, 416
difluoro-eth-1-yl radical, 1,1-, 141 dimethyl bytane-1,4-dioate, 98
difluoro-eth-1-yl radical, 2,2-, 141 dimethyl disulfur, 432
difluoroethane, 1,1-, 65, 169 dimethyl disulphide, 433, 441
difluoroethane, 1,2-, 65, 169 dimethyl ether, 73, 325
difluoroethylene, (E)-1,2-, 67 dimethyl heptane-1,7-dioate, 98
difluoroethylene, 1,1-, 67, 167 dimethyl ketone, 183
difluoroethyne, 166, 214 dimethyl nonane-1,9-dioate, 98
difluoroiodomethane, 244 dimethyl oxalate, 190
difluoromethane, 62, 211 dimethyl pentane-1,5-dioate, 98
difluoromethyl radical, 140 dimethyl peroxide, 312, 338
difluoromethyl trifluoromethyl ether, 74 dimethyl phenyl silamethane, 458
difluorononane, 2,2-, 176 dimethyl phenylamine, 416
difluoroperoxide, 310 dimethyl propanenitrile, 2,2-, 195
difluoropropyl benzene, 3,3-, 177 dimethyl pyrrolidin-3-one, 4,4-, 121
difluoro-vin-1-yl radical, 1,2-, 140 dimethyl sulfoxide, 129, 361, 442
digermane, 470 dimethyl sulphide, 126, 438
dihydrioimidazole, substituted, 2,5-, 279– 280 dimethyl sulphone, 129, 442
dihydro-1,4-benzodioxin, 2,3-, 345 dimethyl(methylamino)amine, 397
dihydro-1,4-dioxin, 2,3-, 344 dimethyl-1-(phenylsulfonyl)-2-sila-vinylpropane,
dihydroacridine, substituted, 9,10-, 53 2,2-, 131
dihydroanthracene, substituted, 9,10-, 51 dimethyl-1,3-butadiene, 2,3-, 28
dihydrobenzo(b)furan-5-ol and its 1-thio, 1-seleno, dimethyl-1,3-dioxane-4,6-dione, 2,2-, 100
and 1-telluro analogues, 2,3-, 296 dimethyl-1,3-dioxanes, 3,3-, 100
dihydrobenzofuran, substituted, 295 dimethyl-1-butene, 2,3-, 158
dihydronaphthalene, 1,2-, 49 dimethyl-1-butene, 3,3-, 158
dihydronaphthalene, 1,4-, 49 dimethyl-1-nitrosopropane, 2,2-, 407
dihydrophenanthrene, 9,10-, 59 dimethyl-1-pentene, 2,4-, 160
dihydrophenanthridine, methanol, substituted, dimethyl-1-pentene, 4,4-, 160
5,6-, 284 dimethyl-1-propanethiol, 2,2-, 204, 437
dihydrophthalazine-1,4-dione, 2,3-, 392 dimethyl-1-silaethyl dimethylamine, 1,1-, 463
dihydropyran, 2H-3,4-, 344 dimethyl-1-silaethyl methylamine, 1,1-, 463
dihydropyrene, 1,2-, 60 dimethyl-1-silaethyl-2,2,4,4,-tetramethyl-2,3,
dihydropyridines, substituted, 1,4-, 115, 391 4-trisilapentane, 3(1,1-, 356
dihydropyrrole, substituted, 2,5-, 277 dimethyl-1-silaethyl-2,2-dimethyl-1-(phenylsulfonyl)-
dihydroquinoline, substituted, 1,2-, 284 2-silapropane, 1-(1,1-, 131
dihydroxybutanedioic acid, 2,3-, 95 dimethyl-1-silaethyl-3-germa-2,2,4,
diiodo oxide, 368 4-tetramethyl-2,4-disilapentane, 3-(1,1-, 468
diiodo-1,1,2,2-tetrafluoro ethane, 1,2-, 246 dimethyl-2,3-dinitrobutane, 2,3-, 201
diiodoethane, 1,2-, 172 dimethyl-2-butene, 2,3-, 27
diiodofluoromethane, 213 dimethyl-2-chloro-propanol, 1,1-, 257
dimethyl-2H-3,5,6-trihydropyran-4-one, 91 dimethypyrrole, 2,5-, 387

dimethyl-2-pentene, (E)-4,4-,160 dimethy-tocol, DMT, 5,7-, 295
dimethyl-2-pentene, (Z)-4,4-, 160 dimeyl-oxathiolane, 2,2-, 129
dimethyl-2-phenyl-propanol, 1,1-, 259 dineopentyl peroxide, 313
dimethyl-2-silapropane, 2,2-, 133 dinitroazoxyfurazan, 4,4-, 357
dimethyl-2-stannabutane, 2,2-, 476 dinitroazoxyfurazan, 4,4 0 -, 357
dimethyl-3-hexene, (Z)-2,5-, 27 dinitrobutane, 1,1-, 110, 201, 298, 410
dimethylallyl alcohol, 2,3-, 72 dinitrodifluoromethane, 409
dimethylamine, 102, 371, 414 dinitroethane, 1,1-, 109, 200, 398, 410
dimethylamino acetate, 120 dinitroethane, 1,2-, 200
dimethylamino diazenyl dimethyl-anine, 397 dinitrogen difluororide, (E)-, 397
dimethylamino-1-phenyl-ethan-1-one, 2-, 119 dinitrogen difluororide, (Z)-, 397
dimethylamino-2-propanone, 1-, 199, 418 dinitrogen oxide, 347, 396
dimethylaminomethanol, 324 dinitrogen pentoxide, 348
dimethylamino-N-benzamide, 383 dinitrogen tetroxide, 348, 396
dimethylbenzyl alcohol, a,a-, 259, 323 dinitrogen trioxide, 396
dimethylbenzylamine, 104 dinitromethane, 110, 409
dimethylbenzylamine, a?a-, 413 dinitropentane, 1,1-, 110, 201, 398, 410
dimethyl-benzylcyanide, a?a-, 194, 195 dinitropropane, 1,1-, 109, 200, 398, 410
dimethylbutane, 2,2-, 22, 148, 149 dinitropropane, 2,2-, 200, 410
dimethylbutane, 2,3-, 22, 150 di-N-oxides, 357
dimethylbutanedioic acid, 2,3-, 191 dioctanylphosphine, 482
dimethyl-butanol, 1,1-, 258 dioxan-2-yl-peroxy, 316
dimethyl-cyclo-propene, 3,3-, 31 dioxane, 1,4-, 81
dimethylene-cyclo-butane, 1,3-, 31 dioxanes, substituted, 1,3-, 79-81
dimethylethyl heptane 1,7-dioate, 99 dioxepanes, substituted, 1,3-, 82
dimethylethyl butane 1,4-dioate, 99 dioxolanes, substituted, 1,3-, 78– 79
dimethylethyl decane 1,10-dioate, 89 dioxygen bromide radical, 310
dimethylethyl ethane-1,2-dioate, 99 dioxygen fluoride radical, 310
dimethylethyl pentane 1,5-dioate, 99 dipentylamine, 103
dimethylethyl-N-(4-(1,1-dimethylethyl)phenyl)- diphenyl diselenide, 451
1-naphthalenamine, 4-(1,1-, 386 diphenyl disulphide, 433
dimethylfulvene, 6,6-, 32 diphenyl ditelluride, 453
dimethylheptane, 2,2-, 152 diphenyl ether, 331
dimethylhexane, 2,2-, 151 diphenyl germane, 469
dimethyl-hexane, 2,3-, 151 diphenyl hydrazine, 1,2-, 397
dimethylhexane, 2,3-, 23 diphenyl ketone, 186
dimethylhexane, 2,4-, 152 diphenyl methyl silamethane, 458
dimethylhexane, 2,5-, 23, 151 diphenyl silamethane, 458
dimethylhexane, 3,4-, 152 diphenyl sulfoxide, 362
dimethylhydrazine, 1,1-, 112, 372, 397, 415 diphenyl sulphide, 440
dimethylhydrazine, 1,2-, 397 diphenyl(phenylamino)amine, substituted, 376
dimethylnitroamine, 418 diphenyl-9,10-dihydroanthracene, (E)-9,10-, 61
dimethylpentane, 2,2-, 150 diphenyl-9,10-dihydroanthracene, (Z)-9,10-, 61
dimethylpentane, 2,3-, 150 diphenylacetic acid, 188
dimethylpentane, 2,4-, 42, 126 diphenylacetonitrile, 107
dimethyl-pentane, 3,3-, 149 diphenylamine, 9, 384, 415
dimethylpenylamine, 104 diphenylamine, substituted, 9, 384, 385
dimethylphenylphosphino-1-thione, 450, 486 diphenyl-CN-methyl dimer, 196
dimethylpropan-1-ol, 2,2-, 71 diphenylethane, 1,1-, 46
dimethylpropane, 2,2-, 148 diphenylethane, 1,2-, 45
dimethylpropanenitrile, 2,2-, 106, 193 diphenylgermane, substituted, 468
dimethylpropanoic acid, 2,2-, 94, 188, 334 diphenylhydrazine, 1,2-, 384
dimethyl-propanol, 2,2-, 258 diphenylmethane, 45
dimethylpyrazolidine-3,5-dione, 4,4-, 389 diphenylmethane, substituted, 45
dimethylsilaethanol, 2,2-, 261 diphenylmethanimine, 373
dimethylsilane, 445 diphenylmethn-1-ol, 73
dimethylsulfone, 362 diphenylmethyl hydroperoxide, 269
dimethyl-tetrahydrofuran, 2,5-, 78 diphenylmethyl methyl ether, substituted, 75
dimethylurazole, 1,2-, 389 diphenylmethyl methyl ketone, 89
dimethy-p-NO2-benzyl alcohol, 1,1-, 259 diphenylmethyl phenyl ketone, 90
diphenylmethyl sulfonyl benzene, 130 ethoxyacetonitrile, 345

diphenylmethylamine, 104 ethoxyethyl benzene, 1-, 330
diphenylpropane, 2,2-, 177 ethyl 2,2,2-tribromoacetate, 242
diphenylpropane-1,3-dione, 1,3-, 90 ethyl 2,2,2-trichloroacetate, 230
diphenylsulfone, 362 ethyl 2,2-dibromoacetate, 242
diphosphine, 482 ethyl 2,2-dichloroacetate, 230
dipropyl disulphide, 433 ethyl 2-iodoacetate, 252
dipropyl ether, 327 ethyl 2-methylpropanoate, 97
dipropyl ketone, 86 ethyl 2-phenylacetate, 97
dipropyl peroxide, 313 ethyl 2-phenylpropanoate, 99
dipropyl sulphide, 440 ethyl 3-oxobutanoate, 98
di-sec-butyl ether, 328 ethyl acetate, 251, 335
di-sec-butyl peroxide, 313 ethyl aminooate, 373
disilane, 456, 459 ethyl azide, 402
disilene, 459 ethyl butyl sulphide, 439
disilicon hexafluoride, 460 ethyl butylanoate, 96
disulfur oxide, 361, 432 ethyl chloroformate, 335
disulfur, 431 ethyl dimethylamine, 415
ditertbutyl ether, 74, 328 ethyl ethyl disulfonyl dissulfide, 434
ditertbutyl peroxide, 313 ethyl ethylphosphate, 485
ditertnonafluorobutyl peroxide, 314 ethyl fluorene-9-carboxylate, 100
dithianes, substituted, 1,3-, 127 ethyl furan, 2-, 181
ditrifluoromethyl peroxide, 313 ethyl hydroperoxide, 100, 267, 312, 337
diuret, 374 ethyl iso-cyanide, 405
divinyl ether, 325 ethyl iso-propyl sulfide, 439
DMA–O2 (endoperoxide, 9,10-dimethyl-9, ethyl methyl 2-(1,1-dimethyl-1silaethyl)
10-epidioxynthracene), 320 propane-1,3-dioate, 100
dodecahedrane, 61 ethyl methyl 2-ethyl propane-1,3-dioate, 99
dodecane, 153 ethyl methyl butane-1,4-dioate, 97
dodecanethiol, 427 ethyl methyl disulphide, 441
dodecanoic acid, 263 ethyl methyl ether, 74, 181, 325
DPA –O2 (endoperoxide, 9,10-diphenyl-9, ethyl methyl ketone, 86, 184, 185
10-epidioxyn-thracene), 320 ethyl methyl propane-1,3-dioate, 96
ethyl methyl sulphide, 204, 438
ethyl methyl sulphone, 442
E ethyl methylamine, 414
ethyl nitrate, 343, 351
enol, 70, 260 ethyl nitrite, 342, 349
enols, 260 ethyl nitroperoxy, 351
erythro-2,3-dibromobutane, 174 ethyl octafluoro-fluorene-9-carboxylate, 100
ethanal, 83, 178, 181 ethyl pentanoate, 96
ethanamidine, 375 ethyl peroxy, 339
ethane, 19,147 ethyl phenyl ether, 330
ethane, substituted, 300, 301, 305 ethyl phenyl ether, substituted, 75
ethane-1,1-diol, 73, 260 ethyl phenyl ketone, 88, 185
ethane-1,2-dial, 73, 186 ethyl phenyl sulphide, 204, 440
ethane-1,2-diamine, 105, 372, 414 ethyl propanoate, 96
ethane-1,2-diol, 73 ethyl propyl ether, 181, 326
ethanediamine, 1,2-, 198 ethyl propyl ketone, 184
ethanedisulfur radicals, 444 ethyl propyl sulfide, 439
ethaneperoxycarboxylic acid, 312 ethyl radical, 134
ethanethioic S-acid, 438 ethyl tert-butyl ether, 74
ethanethiol, 1,2-, 204 ethyl vinyl ether, 325
ethanethiol, 437 ethyl-1H,3H,5H,7H-1,3-oxazolidino-(3,4-C)1,
ethanol, 70, 257, 321 3-oxazolidine, 7a-, 123
ethanolamine, 118 ethyl-1-naphthalene, 165
ethene-1-thiol, 426, 437 ethyl-1-pentyne, 2-, 150
ethenol, 70, 321 ethyl-1-propene, 2-, 28
ether, substituted, 301 ethyl-2-aminoacetate, 120
ethoxy-1,1-dimethyl-1-silaethane, 1-, 344, 462 ethyl-2-cyano-2-pentafluoro-phenyl-acetate, 121
ethoxy-1-phenylethan-1-one, 2-, 90 ethyl-2-cyano-2-phenyl-acetate, 121
ethyl-2-cyano-2-phenylacetates, substituted, 121 fluoroethlene, 167

ethyl-2-methyl-pentane, 3-, 151 fluoroethyne, 166, 213
ethyl-2-methylpropane, 2-, 328 fluoroformyl fluoride, 216, 361
ethyl-3-(dimethylamino) prooanoate, 120 fluoroiodomethane, 213, 244
ethyl-3,3-dimethyl-propanol, 2-, 258 fluoromethane, 62, 213
ethyl-3-aza-3-diazopro-3-enoate, 405 fluoromethyl benzene, 216
ethyl-4,4-dimethyl-1,3-oxazolidine, 3-, 122 fluoromethyl hydroperoxide, 266
ethyl-9-anthracene, 165 fluoromethyl radical, 140
ethyl-9-phenanthrene, 165 fluoromethylene, 139
ethylamine, 102, 197, 412 fluoronitrooxy, 348
ethylamino acetate, 120 fluoronitrooxy, 350, 365
ethylbenzene, 43 fluorononane, 176
ethylbenzene, substituted, 43 fluoropene, 1-, 215
ethylbutanal, 2-, 83 fluoropropane, 173, 215
ethyl-cyclo-butane, 153 fluoropropane, 2-, 173, 215
ethyl-cyclo-hexane, 153 fluoropropene, 1-, 68, 215
ethyl-cyclo-hexyl radical, 1-, 138 fluorosilane, 463
ethyl-cyclo-pentane, 153 fluorosilane-1,1,1-triol, 464
ethyl-cyclo-pentyl radical, 2-, 138 fluorosulfuryldifluoramine, 421
ethylene glycol, 180 formaldehyde, 83, 342
ethylene, 25, 154 formaldehyde, halogened, 342
ethyl-hexane, 3-, 151 formamide, 373, 413
ethylmethylamino methyl-peroxy, 341 formic acid phenyl ester, 336
ethylnaphthalene, 1-, 51 formic acid, 93, 262, 333
ethyl-pentanamide, 2-, 373 formyl cyanide, 192
ethyl-pentane, 3-, 149 formyl fluoride, 83, 216
ethylphosphine, 481 formylthio, 361
ethylpyridine, 2-, 197 furazan N-oxides, substituted, 354
ethylpyridine, 3-, 197 furfurol, 84
ethylpyridine, 4-, 197 furoxans, 354
ethyl-silapentane, 3-, 456
ethylthiol, 203, 426 G
ethyn-1-ol, 256
ethynol, 321 galvinol, 304
etrafluoro-1-propanol, 2,2,3,3-, 178 gema-1,2-diphenylethane, 2-, 468
gema-1-phenylfromtane, 2-, 468
F germa-1,3-diphenyl-2-benzylpropane, 2-, 468
germane, 467
FeII(H2bim), 394 germanium bromides, 471
FII(H2bip), 395 germanium carbide, 471
flavins, substituted, 320 germanium carbides, 471
fluopropane, 1-, 215 germanium chlorides, 470
fluopropane, 2-, 215 germanium clusters, 469
fluorene, oximes, 274 germanium dimer, 469
fluorenes, substituted, 53– 56, 116, 125 germanium fluorides, 470
fluorenyl trimethylammonium bromide, 105 germanium iodides, 471
fluoride hydroperoxide, 310 germanium monoxide dimer, 473
fluorine dioxide, 365 germanium oxides, 472
fluoro peroxy, 365 germanium selenide, 473
fluoro-1,1-diiodoethane, 1-, 247 germanium silicides, 472
fluoro-1,1-diphenyl-propyl benzene, 3-, 177 germanium sulfides, 473
fluoro-2-methyl-propane, 2-, 215 germanium tellurides, 473
fluoro-2-silapro-1-ene, 462 glycine, 119, 187
fluoroamine, 422 glycine anhydride, 120
fluorobenzene, 215 glycine ion, 119
fluorochloroiodomethane, 244 glycolic acid, 94, 189, 335
fluoro-cyclo-hexane, 215
fluorodichloroiodomethane, 244 H
fluoro-eth-1-yl radical, 1-, 141
fluoro-eth-1-yl radical, 2-, 141 halogened cyanide, 404
fluoroethane, 65, 169, 215 heptafluoro-propane, 1,1,1,2,2,3,3-, 68
hepta-fluoropropane, 1,1,1,2,3,3,3-, 68 hydrogen polysulfide, 431

heptanal, 182, 183 hydrogen sulfide, 425
heptane, 22, 148, 149, 150 hydrogen sulfide-d2, 425
heptanenitrile, 193, 194 hydrogen tetrasulfide, 434
heptanethiol, 1-, 204 hydrogen trisulfide, 431, 433
heptanoic acid, 188, 263 hydroimidazole, substituted, 279
heptanol, 1-, 179 hydroind1azol-3-one, 1H-2-, 391
heptene, 1-, 159 hydrooxy methylsulfonate, 364
heptyl-2 hydroperoxide, 338 hydroperoxide, 266, 310
hex-2-yl radical, 135 hydroperoxides, 271
hexaanoic acid, 263 hydroperoxy methyl, 311
hexabromoethane, 171 hydroperoxy radical, 266, 308, 310
hexachloroethane, 222 hydroperoxy-2,2-dimethylpropane, 1-, 312
hexadecene, 1-, 30 hydroperoxyacetone, 1-, 270
hexadiene, 1,5-, 158 hydroperoxycyclohexan-1-one, 2-, 268
hexafluoro-1,3-butadiene, 1,1,2,3,4,4-, 177 hydroperoxyethanenitrile, 2-, 270
hexafluorobenzene, 215 hydroperoxymethan-ol, 269
hexafluoroethane, 214 hydroperoxypropan-ol, 2-, 269
hexahydro-fluorene, 1,2,3,4,4a,9a-, 56 hydrophenyl-methylene cyclohexa-2,
hexamethyl dilead, 478 5-dien-1-one, substituted, 4-((4-, 303
hexamethyl disialne, 460 hydroxamic acids, substituted, 275-276
hexamethyl ditin, 474 hydroxy-1,2,5,6-tetra-hydropyridine, substituted,
hexamethyldigermane, 470 1-, 281
hexane, 21, 148, 149 hydroxy-1,2,5,6-tetra-hydropyrimidine, substituted,
hexanethiol, 1-, 204, 437 1-, 281
hexanitroethane, 1,1,1,2,2,2-, 411 hydroxy-1,3,4-trichloro cyclo-pentadiene, 1-, 242
hexanitrothane, 201 hydroxy-1,3,4-trichloro, 1-, 323
hexanoic acid, 188 hydroxyacetic acid, 2-, 95
hexanol, 1-, 179, 323 hydroxyazobenzene, p-, 417
hexanol, 2-, 323 hydroxydiaza-cyclo-heptane, substituted, 282
hexaphenyl disilane, 460 hydroxydiphenylamine, 4-, 227, 305
hexaphenyl peroxide, 315 hydroxydiphenylaminyl, 4-, 305, 309
hexene, (E)-2-, 158 hydroxydiphenylmethane, 4-, 45
hexene, (Z)-2-, 158 hydroxy-diphenylmethanes, 4-, 292, 382
hexene, 1-, 28, 158 hydroxyethanedithioic acid, 2-, 429
hexene, 2-, 159 hydroxyfluorene, 297
hexyl nitrosothio, 420 hydroxyimino ethane, 352
hexyl-1 hydroperoxide, 337 hydroxyimino-1,7,7-trimethylbicyclo(2.2.1)-heptane,
hexyl-2 hydroperoxide, 337 2-, 273
hexyl-3 hydroperoxide, 338 hydroxyimino-2,7-dibromo-fluorenylmethane, 274
hexyne, 1-, 155 hydroxyimino-2-PhSO2-fluorenylmethane, 274
HOOO radical, 315 hydroxyind1olin-2-one, substituted, 1-, 282
HOS radical, 261 hydroxyind1olin-3-one, substituted, 1-, 282
hydantoin, substituted, 388 hydroxyl radical, 308
hydrazine radical, 371 hydroxylamine, 261, 352, 373
hydrazine, 371, 396 hydroxylamines, substituted, 274–275
hydrazines, substituted, 377 hydroxynaphthalene, substituted, 296
hydrazinophenyl sulfone, 374 hydroxy-N-piperidine, substituted, 277
hydrazoic acid, 370 hydroxy-phenanthrene, 297
hydro disulphide radicals, 435 hydroxyphenazine-di-N-oxide, 2-, 359
hydroanthracen-9-one, 10-, 53 hydroxyphenylthio)-methylthio)phenyl, substituted,
hydrobenzo(b)furan-2-one, 3-, 100 4-((4-, 303
hydrobenzoxazol-2-one, 3-, 391 hydroxy-piperidn-4-one, substituted, 1-, 281
hydrogen alkyl disulfide, 430 hydroxypropanenitrile, 2-, 118
hydrogen alkyl polysulfide, 431 hydroxy-pyrrolidine, substituted, 1-, 227, 278
hydrogen azide, 396, 402 hydroxy-tetrahydro-imidazole, 1-, 278
hydrogen cyanide, 403 hydroxythiol, 363
hydrogen disulfide radicals, 430 hypobromous acid, 256, 367
hydrogen disulfide, 430, 432 hypochlorous acid, 256, 365
hydrogen disulfur, 432 hypofluorous acid, 255, 365
hydrogen methyl disulfide, 430 hypoiodomous acid, 256
hypoiodous acid, 368 iodothio, 449

hyponitrite, 261 iodotrinitromethane, 253
iso-butane, 20, 147
I iso-butanoic acid, 262
iso-butene, 27
imidazole, 112, 388 iso-butyl methyl ketone, 86
imino phenylaminomethyl phenylamine, 375 iso-butyl nitrine, 343, 349
iminostilbene, 393 iso-butyl radical, 135
ind1an-2-one, 92 iso-butyl tert-butyl ether, 329
ind1ane, 47 iso-butylamine, 413
ind1ene, 47 iso-chroman-3-one, 100
ind1ene, substituted, 47–48 isocyanato chloride, 423
ind1ol-3-ylind1ol-1-ol, 3-, 284 isocyanic acid, 261, 370, 404
ind1ole, 391 iso-cyanomethane, 108
ind1olinol, substituted, 283 iso-pentane, 148
ind1ophenol, substituted, 302 iso-pentanoic acid, 262
iodo peroxy, 368 iso-propoxyethyl benzene, 1-, 331
iodo rioxide, 368 iso-propyl acetate, 335
iodo-1-propene, (E)-1-, 248 iso-propyl ethyl ketone, 184
iodo-1-propene, (Z)-1-, 248 iso-propyl hydroperoxide, 268, 312, 337
iodo-1-propene, 3-, 248 iso-propyl isocyanide, 405
iodo-2,2-imethylpropane, 1-, 249 iso-propyl iso-propyl disulfonyl dissulfide, 434
iodo-2butanone, 3-, 252 iso-propyl methyl disulphide, 441
iodo-2-methyl-butane, 2-, 249 iso-propyl methyl ether, 326
iodo-2-methyl-propane, 1-, 248 iso-propyl methyl ketone, 86, 184
iodo-2-methylpropane, 2-, 249 iso-propyl methyl sulphide, 439, 441
iodoacetic acid, 252 iso-propyl methyl sulphone, 443
iodoacetonitrile, 252 iso-propyl nitrate, 343, 351
iodo-alkanes, 1-, 249 iso-propyl nitrine, 343
iodo-alkanes, 2-, 249 iso-propyl pebtanoate, 97
iodobenzene, 250 iso-propyl peroxy, 339
iodobenzenes, substituted, 250 iso-propyl phenyl ketone, 88
iodo-but-1-nen, 3-, 249 iso-propyl radical, 135
iodo-but-1-nen, 4-, 249 iso-propylamine, 102
iodobutane, 2-, 249 iso-propylbenzene, 162
iodo-cyclo-heptane, 250 iso-propylbenzene, substituted, 44
iodo-cyclo-hexane, 250 iso-propylthiol, 426
iodo-cyclo-propane, 250 iso-thiocyanic acid, 370
iodoethane, 172, 247
iodoethanenitrile, 2-, 246
iodoethyl benzene, 2-, 251 K
iodoethylbenzene, 1-, 251
ketene, 85
iodoethylene, 247
ketenylidene, 181
iodoethyne, 247
iodo-isopropyl benzene, 1-, 251
iodomethane, 64, 246 L
iodomethyl benzene, 176
iodomethyl methyl ether, 252, 325 lead antimonide, 480, 489
iodomethyl methyl sulfide, 252 lead bismuthide, 480, 489
iodomethyl methyl sulfide, 438 lead bromides, 479
iodomethylthio, 449 lead chlorides, 479
iodomonitrooxy, 350, 368 lead dimer, 479
iodonaphthalene, 1-, 251 lead dioxide, 480
iodonaphthalene, 2-, 251 lead fluoridesm 479
iodononafluorobutane, 1-, 248 lead iodides, 479
iodo-prop-1-yne, 3-, 247 lead monohydride, 478
iodopropane, 1-, 248 lead monoxide, 480
iodopropane, 2-, 249 lead monoxide dimer, 480
iodopropanioc acid, 3-, 252 lead selenide, 480
iodosilane, 465 lead sulfides, 480
iodosobenzoic acid, 2-, 368 lead telluride, 480
M methyl hydrotrisulfide, 434

methyl hypochlorite, 369
malonic acid dimethyl ester, 98 methyl hypofluorite, 365
manganese-oxo cubane complex, 306 methyl isocyanide, 405
mercapto fluoride, 425, 446 methyl ketene, 191
mercapto radical, 425 methyl methyl disulfonyl, 434
mercaptomethyl radical, 444 methyl methylphosphate, 484
metaphosphoric acid, 261 methyl N-(p-tolylsulfonyl)phenyl-oxosulfoximes,
methae-1,1-dicarbonitrile, 107 131
methane, 8, 19 methyl naphthyl-1 ketone, 87
methane, substituted, 301, 304 methyl nitrate, 343, 351
methanedifulfide, 432 methyl nitrite, 342, 349
methanedisulfur radical, 444 methyl nitroperoxy, 351
methanehydrodifulfide, 432 methyl pebtanoate, 96
methanenitrile, 106 methyl pent-2-yl radical, 2-, 135
methaneperoxycarboxylic acid, 269, 312 methyl pent-3-yl radical, 3-, 135
methanesulfenic acid, 363, 364, 442 methyl pentafluorophenyl ether, 329
methanesulfonic acid, 364, 442 methyl pentyl sulphide, 439
methanethioic S-acid, 438 methyl peroxy, 338
methanethiol, 125, 436 methyl peroxy, a-NH2-, 341
methanimine, 370 methyl peroxy, a-OH-, 341
methanisocynate, 342, 410 methyl phenol sulphone, 443
methanisothiocyanate, 409, 443 methyl phenyl disulphide, 443
methanol, 70, 256, 321 methyl phenyl ether, 75
methoxy methylsulfonate, 364 methyl phenyl ketone, 87, 185
methoxy-1,1-dimethyl-1-silaethane, 1-, 344 methyl phenyl ketone, substituted, 87
methoxy-1-phenylethan-1-one, 2-, 90 methyl phenyl silamethane, 458
methoxy-1-thiol, 345, 364 methyl phenyl sulphide, 440
methoxy-2-phenylethane-nitrile, 2-, 118 methyl phenyl sulphone, 129
methoxyacetonitrile, 199 methyl p-NO2-phenyl sulphone, 129
methoxyamine, 345, 352 methyl propanoic acid, 1-, 93
methoxybenzene, 8, 329 methyl propyl ether, 326
methoxyethanenitrile, 2-, 118 methyl propyl ketone, 184
methoxyethyl benzene, 1-, 330 methyl propyl sulphide, 204, 438, 439
methoxygermane, 469 methyl radical, 134
methoxymethylthio, 345, 364 methyl silane, 455, 460
methoxy-N-phenyl-benzenamine, 4-, 380 methyl silane-1,1,1-triol, 461
methoxyphenylacetonitrile, 1-, 44 methyl sulphone radical, 442
methoxysulfinyl methoxy, 362 methyl tert-butyl disulphide, 441
methy-2-phenylpropanal, 2-, 84 methyl tert-butyl ketone, 86
methyl disulphide radicals, 435 methyl tert-butyl sulphone, 443
methyl 2-(dimethylamino)-acetate, 119 methyl trifluoromethyl ether, 74
methyl 2-chloroacetate, 230 methyl trimethylphenyl ketone, 87
methyl 2-hydroxyacetate, 190 methyl trofluoromethyl sulphone, 129
methyl 2-methyl-vinyl ether, 326 methyl((methylnitroamino)-methyl)nitroamine,
methyl 3-cyanopropanoate, 121 398, 418
methyl acetate, 335 methyl-1,1-dimethyl-1-silaethane, 1-, 462
methyl acrylate, 189, 355 methyl-1,1-diphenylpropane, 2-, 163
methyl aminooate, 373 methyl-1,2-propanediamine, 2-, 198
methyl anthracenyl-9 ketone, 87 methyl-1,3-dioxanes, 3-, 100
methyl azide, 402 methyl-1,3-dithiolanes, 2,2-, 127
methyl benzoate, 97, 190, 336 methyl-1,4-pentadiene, 3-, 29
methyl bytanoate, 97 methyl-1-benzylpyridinium bromide, 3-, 117
methyl ester nitrous acid, 199 methyl-1-butanethiol, 2-, 203
methyl formate, 95, 333, 335 methyl-1-butanethiol, 3-, 204
methyl furan, 2-, 78 methyl-1-butanol, 2-, 179
methyl hydrazine, 414 methyl-1-butanol, 3-, 179
methyl hydrodifulfide, 448 methyl-1-butene, 2-, 27, 157, 158
methyl hydrodisulfide, 441 methyl-1-butene, 3-, 27, 157, 158
methyl hydroperoxide, 100, 266, 311, 337 methyl-1-butyne, 3-, 25, 135
methyl hydro-peroxide, a-Co2 K-, 270 methyl-1-hexene, 5-, 160
methyl-1-pentene, 2-, 155, 159 methylhexane, 3-, 22, 150

methyl-1-pentene, 3-, 159 methylhydrazine radical, 372
methyl-1-pentene, 4-, 159 methylhydrazine, 112, 372, 397
methyl-1-phenylpropane, 2-, 163 methylhydroxylamine, 353
methyl-1-propanethiol, 2-, 203, 437 methylidyne, 134
methyl-1-propanol, 2-, 179, 322 methylind1ene, 1-, 164
methyl-2,2,2-trifluoroacetate, 189 methylketene, 85
methyl-2-aminoacetate, 120 methylmethane-1,1-dicarbonitrile, 108
methyl-2-butanethiol, 2-, 437 methylnaphthalene, 1-, 50
methyl-2-butanol, 2-, 180, 322 methylnaphthalene, 2-, 50
methyl-2-butanol, 3-, 180 methylnitroamine, 110, 371, 418
methyl-2-butene, 3-, 28 methylnitrosothio, 420
methyl-2-nitropropane, 2-, 109, 408 methylnonane, 2-, 152
methyl-2-pentene, (E)-4-, 159 methylnonane, 5-, 152
methyl-2-pentene, (Z)-4-, 25, 159 methyloctane, 3-, 23
methyl-2-pentyne, 4-, 25 methyl-oxirane, 2-, 77, 191
methyl-2-phenylpropanenitrile, 2-, 107, 195 methyloxyethane, 1,2-, 181
methyl-2-phenyl-propionate, 190 methylpentane, 2-, 22, 148, 149, 151
methyl-2-propanethiol, 2-, 437 methylpentane, 3-, 22, 148, 149, 151
methyl-2-propanol, 2-, 322 methylpentane-2,4-dione, 3-, 90
methyl-2-propylamine, 2-, 412 methylphosphine, 481
methyl-2-silapro-1-ene, 2-, 461 methylpiperidine, 2-, 197
methyl-2-silapropan-2-ol, 2-, 462 methylpropan-2-ol, 2-, 71
methyl-3-pentene, 4-, 29 methylpropanal, 2-, 81, 182
methyl-9,10-dihydro-acridine, substituted, 10-, 117 methylpropane-2-disulfur radical, 2-, 444
methylacenaphthene, 4-, 57 methylpropanenitrile, 2-, 106, 193, 195
methylacenaphthene, 57 methylpropanoiacid, 2-, 334
methylallyl radical, 2-, 137 methylpropanoyloxy 2-methylpropanoate, 2-, 317
methylamine, 102, 370, 411 methylpropylamine, 2-, 198
methylamino methanethial, 436 methylpropylbenzene, 2-, 163
methylbenzene, 161 methylpyrrile, 1-, 45
methylbenzo(b)phenanthrene, 60 methylsulfone, 429
methylbenzyl radical, a-, 139 methylthio peroxy, 363
methylbenzylamine, 413 methylthio radical, 436
methyl-benzylcyanide, a-, 194, 195 methylthiocarbonitrile, 443
methylbutane, 2-, 21, 148 methylthiol, 426
methylbutane, 3-, 147 methylthiyl peroxy, 341, 364
methylbutanenitrile, 2-, 194 methylvinyl nitroperoxy, 1-, 352
methyl-butanoic acid, 2-, 334 methyoxirane, 2-, 191
methylbutanoic acid, 3-, 188 methyoxy-1-thiol, 364
methyl-butyl-2 radical, 2-, 135 monocuclear manganese hydroxide, 307
methylbytanyl nitrine, 2-, 343 morpholin-4-yl phenyl ketone, 124
methylchrysene, 6-, 60 morpholines, substituted, 122
methyl-cyclo-hexane, 153
methyl-cyclo-hexyl radical, 1-, 138
methyl-cyclopentan-1-ol, 1-, 259 N
methyl-cyclo-pentane, 153
methyl-cyclo-propane, 31 N-((1E)-buta-1,3-dienyl)-benzamide, 374
methylcyclopropene, 1-, 156 N-(4-phenoxy)phenyl-2-naphthalenamine, 380
methyldiethanolamine, 118 N-(aminocarbonyl)acetamide, 419
methyldiphenylphosphino-1-thione, 450, 486 N-(phenylamino)acetamide, 384
methylene, 134 N-(tert-butyl)-2,2-dimethyl propanamine, 374
methylene-1,4-dihydronaphthalene, 1-, 50 N-(tert-butyl)-N-hydroxy-benzamide, substituted,
methylene-6,10,-dihydroanthracene, 9-, 52 276
methylene-phenathrene, 4,5-, 51 N-(tert-butyl)-N-hydroxy-carboxamide, substituted,
methylethyl amino acetate, 120 276
methylethyl-1,3-dithiepane, 4-, 128 N,N,N 0 N 0 -methyl-methanediamine, 414
methylethyl-1,3-dithiocane, 4-, 128 N,N 0 -di(4-isopropylphenyl-)-p-phenylendiamine,
methylheptane, 2-, 151 386
methylheptane, 3-, 151 N,N 0 -di-2naphthyl-p-phenylendiamine, 386
methylhexane, 2-, 150 N,N 0 -diphenyl-1,4-phenylene-diamine radical, 382
N,N 0 -diphenyl-1,4-phenylene-diamine, 382 nitro[5-(nitroamino)pentyl]amine, 110, 371, 417

N,N 0 -methylaniline, 416 nitroadamantane, 1-, 345
N,N-difluorobenzylamine, 411 nitroamine, 398
N,N-difluorohydroxylamine O-fluorosulfate, 352, 364 nitrobenzene, 408
N,N-dimethylacetamide, 119, 417 nitrobenzene, substituted, 409
N,N-dimethylaniline, substituted, 105 nitrobenzyl compounds, 353
N,N-dimethylformamide, 119, 417, 418 nitrobutane, 1-, 109, 200, 408
N,N-dimethyl-propanamide, 418 nitrobutane, 2-, 200, 408
N-[(1E)-1-aza-2-phenylprop-1-enyl]aminoamide, sub- nitro-cyclo-hexane, 110, 408
stituted, 376 nitro-cyclo-pentane, 110
N-1-(3,7-bis(1,1-dimethyl-ethyl)napthalenyl-benzena- nitro-cyclo-propane, 110, 408
mine, 386 nitroethane, 109, 199, 407
NADH, 123 nitroethylene, 407
NADHC†, 123 nitrofluoroalkanes, 216
N-alkoxyanilines, 377 nitrofluoroethanes, 203
naphonyl ethers, substituted, 331 nitrofuran, 2-, 411
naphth-1-yl hydroperoxide, 270 nitrogen bromofluoride, 423
naphth-2-yl hydroperoxide, 270 nitrogen chlorofluoride, 422
naphthalene, 49 nitrogen dioxide, 347
naphthalene-1,4-diol, 296 nitrogen iodide, 423
naphthalenethiol, 430 nitrogen monobromide, 423
naphthanlenamine, 1-, 371 nitrogen monochloride, 422
naphthanlenamine, 2-, 371 nitrogen trifluoride, 422
naphthlene-1-carboxylic acid, 188 nitrogen, 395
naphthlene-2-carboxylic acid, 189 nitrohexane, 408
naphthol, 1-, 324 nitromethane, 109, 407
naphthol, 2-, 324 nitromethyl radical, 353, 407
naphthyl anion, 2-, 49 nitronaphthalene, 1-, 406
naphthyl radical, 2-, 50, 139 nitropentane, 1-, 109, 200, 408
naphthyl-1 phenyl ketone, 89 nitropiperidine, 1-, 354
naphthyl-2 phenyl ketone, 89 nitropropane, 1-, 109, 200, 408
naphthyl-3H-4,5,6,-trihydropyran-2-one, 3-(2-, 100 nitropropane, 2-, 109, 200, 408
naphthylamine, 1-, 385, 413 nitro-propylene-2, (E)-, 407
naphthylamine, 2-, 413 nitroso benzoate, substituted, 352
naphthylphenylamine, 385 nitroso formate, substituted, 352
naphthylphenylamines, substituted, 2-, 385 nitroso trimethylsilane, 463
N-benzylaniline, 415 nitroso-10H, 11H-dibenzo(b,f)azepine, 5-, 401
n-butyl radical, 135 nitroso-1-propene, 3-, 406
n-butylthiol, 426 nitrosobenzene, 407
neo-pentane, 21 nitroso-benzo(b,f)azepine, 5-, 401
neo-pentyl alcohol, 259 nitrosocarbazole, 9-, 401
neo-pentyl peroxy, 340 nitrosodiphenylamine, substituted, 402
N-ethylaniline, 415 nitrosoethane, 406
N-halogenosuccinimide, 423 nitrosoindole, 401
n-hexyl radical, 135 nitrosoindole, substituted, 401
N-hydroxyphthalimide (NHPI), 283 nitrosomethane, 406
N-hydroxyphthalimide (NHPI), substituted, 283 nitroso-pentafluorobenzene, 407
nicotinic acid, substituted, 265 nitrosophenoxazine, 10-, 401
N-iso-propylacetamide, 119 nitrosophenyl(phenyl-solfonyl)-amine, substituted,
nitrate, 348 400
nitrates, 344 nitroso-propane, 2-, 406
nitric acid, 261, 350 nitrososilane, 463
nitric oxide dimer, 348, 396 nitroso-tert-butane, 406
nitric oxide, 347 nitrosotoluene, 407
nitric peracid, 351 nitroso-trichloromethane, 406
nitro compounds, 353 nitroso-trifluoromethane, 406
nitro(2-(nitrooxy)ethyl)amine, 199, 202, 417 nitrosyl bromide, 423
nitro(2-(nitrooxy)ethyl)oxy, 202 nitrosyl chloride, 422
nitro(phenylmethoxy) methane, 111 nitrosyl cyanide, 406
nitro[(nitroamino)methyl]amine, 110, 371, 417 nitrosyl fluoride, 422
nitro[2-(nitroamino)ethyl]amine, 110, 371, 417 nitrosyl hydride,348, 370
nitrosyl iodide, 423 oxazolin-2-one, 1,3-, 387

nitrothiol, 420 oxilic axcid diethyl ester, 98
nitrothiomethyl acetate, 420 oxime, 272
nitrous acid, 260, 348 oximes, 272–273
nitrozoamines, 111, 202, 398 oximes, substituted, 273, 274
nitryl bromide, 423 oxirane, 77
nitryl chloride, 422 oxoacetic acid, 2-, 95
nitryl fluoride, 422 oxomorpholine, 2-, 123
nitryl iodide, 423 oxopropanedinitrile, 199
N-methyl acetamide, 374, 415, 417 oxygen, 309
N-methylaniline, 415 oxygen deuteride, 255
N-methylglycine, 187 oxygen tritide, 255
N-methylglycine, 419 oxyhydrodisulfide, 363
N-methyl-nitrosobenzenesulforn-amides, oxyhydrosulfide radicals, 363
substituted, 390 oxythio, 428
N-methyl-phenylamine, 380 oxythio radical, 360, 428
N-methyoxymethanamine, 353 ozone, 310
N-nitrodimethylamine, 398
N-nitromethylamine, 398
N-nitromorpholine, 354
N-nitroso-acetanilides, 399 P
non-2-ene, (Z)-, 30
nona-1,8-diene, 29 penta-1,4-dien-3-ol, 72
nonane, 152 penta-2,3-diene, 28
nonanoic acid, 262 pentachloroethane, 66, 170, 222
nonanol, 72 pentachloroethyl hydroperoxide, 268
nonanyl phenyl ketone, 88 pentadiene, (E)-1,3-, 157
norboradine, 37 pentadiene, (Z)-1,3-, 157
norbornane, 36 pentadiene, 1,2-, 157
norcamphor, oximes, 273 pentadiene, 1,3-, 27
n-pentyl radical, 135 pentadiene, 1,4-, 27, 157
N-phenylacetamide, substituted, 381 pentadiene, 2,3-, 27, 28
n-propyl radical, 134 pentadienyl peroxy, 340
n-propylbenzene, 43 pentafluoro-2-iodopropane, 247
pentafluorobenzene, 69
pentafluoro-benznic acid, 188
pentafluoroethane, 64, 168, 218
O pentafluoroiodobenzene, 246
pentafluoroiodoethane, 246
octane, 23, 149, 150, 151 pentafluorophenol, 285, 323
octane-2-thiol, 426 pentafluorophenyl acetonitrile, 107
octanenitrile, 195 pentafluorophenyl fluorene, 9-, 69
octanoic acid, 268 pentafluorophenyl trifluoromethane, 177
octediene, 1,3-, 29 pentafluorophenylmethane, 176
octene, (E)-2-, 29 pentafluoropropanoic acid methyl ester, 189
octene, 1-, 29, 160 pentafluorosulfur difluororamine, 421
octyl pentanoate, 97 pentafluorosulfur trifluoromethane, 443
octylphosphine, 481 pentahydroxyhexanal, 2,3,4,5,6-, 85
organoferric species, Fe0, 133 pentamethyl disilane, 456
organoferric species, FeI, 133 pentamethyl-3-silapentane, 2,2,3,4,4-, 457
organoferric species, FeII, 133 pentamethylpentane-2-thiol, 2,4,4,6,6-, 457
organoferric species, FeIII, 134 pentanal, 85, 182, 183
organomecuer species, 285 pentane, 21, 147, 148
oxa-disilapropane, 3-, 462 pentane-2,3-dione, 186
oxalic acid, 189 pentane-2,4-dione, 90
oxalic acid dimethyl ester, 97 pentanedione, 2,4-, 186
oxalyl chloride, 186 pentanenitrile, 147, 148
oxathianes, substituted, 1,3-, 122 pentanethiol, 1-, 203, 437
oxathiolanes, substituted, 1,3-, 127, 129 pentanitrofluoroethane, 1,1,1,2,2-, 203, 411
oxazolidin-2-one, 1,3-, 388 pentanitropropane, 201
oxazolidines, substituted, 1,3-, 122 pentanoic acid, 188, 262, 334
pentanol, 1-, 179, 322 phenyl methylene ketone, 131

pentanol, 2-, 180, 322 phenyl nitrite, 350
pentanol, 3-, 180, 322 phenyl nitrosothio, substituted, 420
pentanoyloxy pentanoate, 317 phenyl phenathrenyl-2 ketone, 89
pentaphenyl-1,4-pentadiene, 1,1,3,5,5-, 46 phenyl phenathrenyl-3 ketone, 89
penten-3-yne, 1-, 25 phenyl phenathrenyl-9 ketone, 89
pentene, (E)-2-, 28, 157 phenyl phenylsulfonyl sulfate, 363
pentene, (Z)-2-, 28, 157 phenyl phenylsulphonyl methane, substituted, 132
pentene, 1-, 27, 157 phenyl phenylthiooxy sulfate, 363
pentene, 2-, 157 phenyl piperazin-2-yl ketones, substituted, 124
pentyl tert-butyl ether, 329 phenyl piperidyl ketone, 124
pentyl-2 radical, 135 phenyl pyrenyl-1 ketone, 89
pentylamine, 102 phenyl pyridyl ketone, 89
pentyne, 1-, 25 phenyl radical, 40, 139
pentyne, 2-, 25, 155 phenyl silane-1,1,1-triol, 461
perchloroethane, 170 phenyl thiophenyl sulfate, 363
perfluorinated peroxide, 316, 317 phenyl vinyl ether, 330
perfluorobutane, 176 phenyl(phenylamino)methane-1-thione, 383
perfluoroethane, 168 phenyl(phenylsulfonyl)-amine, substituted, 376
perfluoropronene, 172 phenyl, 40, 139
perfluoropropane, 172 phenyl-1-butene, 4-, 162
permanganic anion, 306 phenyl-1-naphthlamine, 380
peroxides, substituted, 314, 315 phenyl-2-(2-pyridyl)-ethanenitrile, 2-, 107
peroxodiphosphate, 319 phenyl-2-naphthlamine, 380
peroxodisulfate, 319 phenyl-2-phenoxyethan-1-one, 1-, 90
peroxyacetyl nitrate, 316, 352 phenyl-2-phenoxyethane-nitrile, 2-, 118
peroxydisulfuryl difluoride, 319 phenylacetic acid, 2-, 188, 335
peroxynitric acid, 311 phenylacetonitrile, 44, 107
phenalene, 59 phenylacetylene, 161
phenalenyl p-dimer, 165 phenyl-allyl triphenyl phosphonium bromide,
phenalenyl, substituted, p-dimer, 165 3-, 30
phenalenyl, substituted, s-dimer, 165 phenylamine, substituted, 277
phenanthrenylmethane, 9-, 59 phenylaminyl phenoxyl radical, 4-, 382
phenazine N-oxide, 358 phenylbutane, 2-, 163
phenol, 285, 323 phenylbutane-1,3-dione, 1-, 90
phenols, di-substituted, 289 phenyl-cyclo-buten-3-yl radical, 1-, 137
phenols, penta-substituted, 292 phenyl-cyclo-buten-3-yl, 1-, 32
phenols, substituted, 285, 291, 298– 300 phenyl-cyclo-butene, 1-, 32
phenols, tetra-substituted, 291 phenyl-cyclo-butene, 1-, 45
phenothiazine, analogues, 393 phenyl-cyclo-propene, 1-, 44
phenothioazine, substituted, 393 phenyldiallylamine, 105
phenyl hydrotrisulfide, 434 phenyldibenzylamine, 104
phenyl 2,2-dipiperidylethan-1-one, analogues, 1-, 125 phenyldiethylamine, 104
phenyl 2-chloroacetate, 230 phenylethanol, 1-, 72
phenyl acetate, 336 phenylfluorenyl dimer, 9-, 166
phenyl azide, 402 phenylgermane, substituted, 468
phenyl benzoate, 336 phenylhydrazine, 383, 397
phenyl benzyl ether, 331 phenylhydroxylamine, 380
phenyl dimethylamine, 415 phenylmethane-1,1-dicarbonitrile, 108
phenyl diphenylmethyl sulphide, 128 phenylmethane-1-thiol, 204, 428
phenyl disulphide radicals, 435 phenylmethanedithioc acid, 429
phenyl germane, 468 phenylmethoxy piperidine, substituted, 332
phenyl hydrazine, 414 phenylmethylamine, 198
phenyl hydrodisulfide, 433 phenyl-N-(phenylcarbonyl-amino)carboxamide,
phenyl hydroperoxide, substituted, 269 375
phenyl methyl ketone, 185 phenyl-N-benzamide, 383
phenyl methyl silamethane, substituted, 457 phenylnitroethanes, substituted, 1-, 111
phenyl methyl sulphide, 128 phenylnitromethane, 409
phenyl methylamine, 414 phenylphenylthioamine, 383
phenyl methylene ketone dibutylsulfonium bromide, phenylphenylthioamine, substituted, 376
119 phenylphenylthiodiazene, 421
phenylpro-2-ynoic acid, 3-, 265 propanethiol, 2-, 437

phenylpropane, 2-, 45 propanoic acid, 187, 190, 262, 334
phenyl-propanenitrile, 2-, 107 propanol, 1-, 70, 178, 257
phenylpropanone, 3-, 183 propanol, 2-, 71, 179, 257
phenylpropene, (E)-1-, 44 propanoyl chloride, 182, 229
phenylpyrazolidin-3-one, 1-, 388 propanoyloxy propanoate, 317
phenyl-silaethane, 1-, 457 propargyl radical, 136
phenylsulfone, 362 propen-1-ol, 2-, 183, 321
phenylthio-9-methyl-anthracene, 10-, 441 propen-1-yl, 1-, 136
phenylthiomethylanthracene, 9-, 441 propen-2-yl, 1-, 136
phenyl-trimethyl-silane, 133 propene, 26, 156
phenylxanthylium phenoxides, substituted, 333 propenenitrile, 2-, 192
phone, substituted, 305 propenoic acid, 187, 334
phosphine, 481 propiolactone, b-, 91
phosphino fluoride, 483 propiolonitrile, 192
phosphino silane, 466, 484 propoxyethyl benzene, 1-, 330
phosphinotris(dimethylamino)-1-one, 485 propyl hydroperoxide, 337
phosphorus bromides, 483 propyl nitrate, 343, 351
phosphorus chlorides, 482 propyl nitrine, 343
phosphorus clusters, 482 propyl nitrite, 1-, 349
phosphorus fluorides, 483 propyl nitrite, 342, 349
phosphorus monosulfide, 485 propyl pebtanoate, 86
phosphorus nitride, 484 propyl phenyl ketone, 88
phosphorus oxides, 484 propyl vinyl ether, 326, 327
phosphorus triiodide, 483 propylamine phosphonium bromide, 371
phosphoryl bromide, 484 propylamine, 1-, 102, 198, 412
phosphoryl chloride, 484 propylamine, 2-, 198, 412
phosphoryl fluoride, 484 propylbenzene, 43
phthalimide, 391 propyl-cyclo-hexane, 153
phynel acetate, 336 propyl-cyclo-pentane, 153
phynelmethylamine, 104 propylene glycol, 1,2-, 180
pinane, (Z)-, 39 propylphenyl phenyl ketone, 88
piperazine, 115 propylthiol, 426
piperdin-1-ol, substituted, 280–281 propyne, 24, 154
piperidine, 113 proyulphosphine, a-CN-, 482
piperidinol, 280 pyenylethanal, 2-, 84
piperidinol, substituted, 284, 332 pyrazine, 114
piperidione, 2,6-, 390 pyrazines, substituted, 197
piperidone, analogues, 2-, 390 pyrazole, 113, 388
polonium dimer, 454 pyrene, substituted, 297
polyols, 324 pyridine iodide, 253
p-phenyl-endiamines, substituted, 386 pyridine N-oxides, substituted, 354
proline, 191 pyridine, 113
prop-1-enyl benzene, 1Z, 163 pyridines, substituted, 114, 196, 197
prop-2-enenitrile, 106 pyridinol, 3-, 293
prop-2-enylbenzene, 43 pyridinol, HO–pyridinyl, 324
prop-2-ynenitrile, 106 pyridinols, substituted, 3-, 293
propan-2-ol, 71, 322 pyridium carboxyled species, 265
propanal chloride, 183 pyridone, analogues, 2-, 390
propanal, 85, 182, 183, 322 pyridone, analogues, 4-, 390
propanamide, 199, 411 pyridyl pyridine, 2-(2-, 198
propane, 20, 147 pyridylamine, 2-, 413
propane-2,2-diol, 260 pyridylamine, 3-, 413
propane-2-disulfur radical, 444 pyridylamine, 4-, 413
propanediamine, 1,2-, 198 pyrimidine, 114
propanedinitrile, 195 pyrimidinol, 5-, 293
propanedioic acid, 95 pyrimidinols, substituted, 5-, 293
propanediol, 1,2-, 180 pyrrole, 112, 387
propanedione, 1,2-, 186 pyrrolidin-2-yl-peroxy, 341
propanenitrile, 106, 192, 194 pyrrolidine, 112
propanethiol, 1-, 203, 437 pyrrolidone, 2-, 387
Q spiro-pentane, 34
S-propyl thioacetate, 443
quadricyclane, 37 stannane, 473
quinlines, substituted, 115 succinimide, 388
quinoline N-oxides, substituted, 357 sulfenic acid, 363
quinolone, analogues, 2-, 392 sulfide, substituted, 302–303
quinuclidine, 113 sulfur bromide, 448
sulfur dibromide, 448
sulfur dichlorides, 447
R sulfur difluoride, 445
sulfur dioxide, 360
radical dimer, 191 sulfur fluochloride, 446, 447
Rh(I), 395 sulfur fluoride, 433, 446
ROOO radical, 316 sulfur hexafluoride anion, 445
sulfur hexafluoride, 445
sulfur monoxide, 360
S sulfur pantafluoride anion, 445
sulfur pantafluoride, 445
sarcosine, 189, 419 sulfur pantafluorobromide, 449
sec-butoxyethyl benzene, 1-, 331 sulfur pantafluorochloride, 447
sec-butyl alcohol, 71 sulfur peoxide, 315
sec-butyl nitrine, 343, 349 sulfur tetrafluoride, 445
sec-butyl phenyl ketone, 88 sulfur tetrafluorochloride, 447
sec-butyl radical, 135 sulfur tetrafluorooxide, 361
sec-butyl tert-butyl ether, 328 sulfur trifluoride, 445
selenium bromide, 451 sulfur trioxide, 360
selenium chloride, 451 sulfuric acid, 261, 362, 363
selenium dimer, 451 sulfurous acid, 361
selenium fluoride, 451 sulfurul chlorides, 2361, 448
selenium hydrides, 452 sulfuryl fluoride, 2361
selenium monocarbide, 452 sulfuryl fluorides, 446
selenium mononitride, 452 sulphuric acid, 362
selenium monosulfide, 452
selenium monoxide, 452, 486
T
selenium phosphide, 452
selenophenol, 451 t,perp-HOONO, 260
selenotocopherol, all-rac-a-, 294 tellunium dimer, 453
S-ethyl thioacetate, 443 tellunium iodide, 453
sikicon radical, 455 tellunium monoantimonide, 454
silaeth-1-ene, 2-, 461 tellunium monoselenide, 452
silaforaldehyde, 463 tellunium monosulfide, 453
silaketene, 463 tellunium monotelluride, 453
silane, 455 tellunium monoxide, 453
silane, substituted, 302 tellurium hydrides, 453
silane-1,1,1,1-tetraol, 462 tellurium phosphide, 454, 486
silapro-1-ene, 2-, 461 tellurohenol, 453
silapropane, 2-, 460 tert-amyl nitrite, 350
silicon carbides, 460 tert-butanamide, 373
silicon clusters, 459 tert-butyl 1,1-dimethyl-1-silaethyl peroxide, 315
silicon monoxide dimer, 466 tert-butyl acetate, 335
silicon nitride, 463 tert-butyl alcohol, 180
silicon oxide, 462 tert-butyl ethyl ether, 327
silicon phosphide, 466, 484 tert-butyl ethyl ketone, 185
silicon selenides, 452, 466 tert-butyl ethyl sulphide, 439
silicon selenides, 466 tert-butyl hydroperoxide, 268, 312, 337
silicon sulfides, 466 tert-butyl hypobromide, 367
silicon tellurides, 466 tert-butyl hypochloride, 366
silicoorganics, 304 tert-butyl isocyanide, 406
spiro(2.5)-octa-4,6-diene, 38 tert-butyl isopropyl ether, 328
spirocyclohexyl-4-(spiro-tetrahydrofuran-2)- tert-butyl methyl ether, 327
1,2,3,4-tetrahydroquinoline, 2-, 394 tert-butyl methyl ketone, 185
tert-butyl methyl sulphide, 439 tetramethyl-4-oxa-3,5-disilapentane, 2,2,6,6-, 462

tert-butyl nitrine, 343, 350 tetramethylbutane, 2,2,3,3-, 152
tert-butyl nitrosothio, 420 tetramethylbutanedinitrile, 195
tert-butyl peroxy, 340 tetramethylead, 478
tert-butyl phenyl ketone, 88 tetramethylethane-1,2-carbonitrile, 1,1,2,2-, 107
tert-butyl radical, 135 tetramethyl-ethanol, 1,1,2,2-, 258
tert-butyl tert-butyl disulfonyl dissulfide, 434 tetramethylhydrazine, 397
tert-butyl-2-(3-(tert-butyl)-2-hydroxyphenyl) tetramethylpentane, 2,2,3,3-, 152
phenyl, 6-, 181 tetramethylpiperidine, 2,2,6,6-, 389
tert-butyl-2,2,4,4-tetramethyl-3-silapentane, 3-, 457 tetramethyl-propanol, 2,2,3,3-, 258
tert-butyl-2,2-dimethylpro-panoate, 97 tetramethylsilane, 461
tert-butyl-2-aminopropanoate, 121 tetramethypentane, 2,2,4,4-, 153
tert-butylamine, 370 tetranitrobutane, 2,2,3,3-, 201
tert-butylbenzene, 44 tetra-nitromethane, 411
tert-butylbi-cyclo(1.1.1)-pentane, 3-, 34 tetraoxaspiro[5,5]undecane, substituted, 82
tert-butyldifluoroamine, 411 tetraphenyl-1,4-digermin, 2,3,5,6-, 469
tert-butyldimethylamin, 104 tetraphenylethane, 1,1,2,2-, 164
tert-butylperoxide, 338 tetraphenylethane, 1,2,2,2-, 164
tert-butyl-tert-amyl peroxide, 313 tetraphenylmethane, 164
tert-butylthiol, 426 tetraphenylpropene, 1,1,3,3-, 46
tert-buytl phenylthioamine, 375 tetrasilane, 460
tetrabromomethane, 235 thallium bismuthide, 492
tetrabromosilane, 465 thallium phosphide, 486
tetrachloro-2,2-difluoroethane, 1,1,1,2-, 170 thian-1-one, 362
tetrachlorodiphosphine, 483 thiane-1,1-dione, 362
tetrachloroditin, 474 thiazyl difluoride, 420
tetrachloro-eth-1-yl radical, 1,1,2,2-, 141 thiazyl fluoride, 420
tetrachloroethane, 1,1,1,2-, 170, 222 thiazyl fluorides, 420
tetrachloroethane, 1,1,2,2-, 66, 171 thiazyl trifluoride, 446
tetrachloroethyl hydroperoxide, 1,1,2,2-, 268 thiazyl, 421
tetrachloroethylene, 167, 221 thioacetic acid, 429
tetrachloromethane, 219 thiobenzoic acid, 429
tetrachlorosilane, 464 thiocyanogen, 421
tetradialkyl disulfide ions, 435 thiocynic acid, 431
tetraethyl benzene, 1,2,2,2-, 241 thioformaldehyde, 125, 436
tetraethyllead, 479 thioformyl cyanide, 192
tetrafluobenzene, 1,2,3,4-, 69 thionyl chloride, 447
tetrafluobenzyl, 1,2,3,4-, 69 thionyl fluorides, 446
tetrafluorodiphosphine, 482 thiophene iodide, 253
tetrafluoro-eth-1-yl radical, 1,1,2,2-, 141 thiourea, 372
tetrafluoroethane, 1,1,1,2-, 168, 214 thioxanthene, 53
tetrafluoroethane, 1,1,2,2-, 64, 169, 214 thio-a-tocopherol, 430
tetrafluoroethylene, 166, 214 thiphenylmethane, substituted, 46
tetrafluorohydrazine, 397 thiphenylmethylium phenoxides, substituted,
tetrafluoromethane, 211 333
tetrafluorosilane, 464 threo-2,3-dibromobutane, 175
tetrahydroacenaphthene, 57 tin bismuthides, 351, 477
tetrahydrofuran, 78 tin bromides, 475
tetrahydrofuran-2-yl-peroxy, 316 tin chlorides, 475
tetrahydrofurans, substituted, 78–79 tin clusters, 350
tetrahydropyrene, 1,2,3,6-, 60, 82 tin dimer, 474
tetrahydropyridazine-3,6-dione, 1,2,4,5-, 391 tin fluorides, 475
tetrahydroquinoline, substituted, 296 tin germanides, 474, 475
tetrahydroxypentanal, 2,3,4,5-, 85 tin iodides, 476
tetraiododiphosphine, 483 tin monohydride, 473
tetraiodomethane, 64, 246 tin monoxide dimer, 478
tetraiodosilane, 465 tin oxides, 477
tetralin, 48 tin selenide, 477
tetramethyl disilane, 1,1,2,2-, 456 tin sulfides, 477
tetramethyl-2-silabutane, 2,2,3,3-, 133 tin telluride, 478
tetramethyl-2-stanna-butane, 2,2,3,3-, 476 tocopherol, a-, 9, 294
tocopherol, b-, 9, 294 trifluoro-1,1-diphenyl-ethyl benzene, 2,2,2-, 177

tocopherol, d-, 9, 294 trifluoro-1-phenyl-ethyl benzene, 2,2,2-, 177
tocopherol, g-, 9, 294 trifluoro-1-propanol, 3,3,3-, 178
toluene bromide, 41 trifluoro-2,2-2-trichloroethane, 1,1,1-, 168
toluene, 43 trifluoro-2-chloroethyl hydroperoxide, 1,1,1-, 267
toluene, di-substituted, 42 trifluoro-2-iodoethane, 1,1,1-, 168, 246
toluene, hydridopenta-, 42 trifluoroacetadehyde, 86
toluene, multi-substituted, 41 trifluoroacetic acid, 187, 262
toluene, other-substituted, 42 trifluoroacetone, 1,1,1-, 86
toluene, substituted, 41–43 trifluoroacetonitrile, 192
trans-bromonitrooxy, 349 trifluorobromomethane, 212
trans-chloronitrooxy, 349 trifluorochloroethane, 1,1,2-, 169
trans-nitrous acid, 348 trifluoro-eth-1-yl radical, 1,1,2-, 141
trant-perp-peronitrous acid, 311 trifluoro-eth-1-yl radical, 1,2,2-, 142
tri(1,1-dimethyl-1-silaethyl)-amine, 463 trifluoroethan-1-ol, 2,2,2-, 257
tri(2,3,5,6-tetrafluoro-phenyl)phenyl methane, 69 trifluoroethane, 1,1,1-, 65, 169, 214
triacetylene, 25 trifluoroethane, 1,1,2-, 169, 214
trialkyl-N-oxides, 353 trifluoroethane, 1,2,2-, 65
triallylamine, 104 trifluoroethanol, 2,2,2-, 178, 321
triaryl nitrosothio, 420 trifluoroethlene, 167
tribenzylamine, 105 trifluoroethyl benzene, 2,2,2-, 177
tribromoacetic acid, 2,2,2-, 242 trifluoroethylene, 67
tribromochloromethane, 219, 235 trifluoroiodomethane, 244
tribromoethane, 111-, 171 trifluoromethane, 61, 211, 244
tribromofluoromethane, 213 trifluoromethanol, 256, 321
tribromoiodomethane, 245 trifluoromethoxy-trifluoro-methyl peroxide, 316
tribromomethane, 63, 235 trifluoromethyl benzene, 176
tribromomethyl hydroperoxide, 267 trifluoromethyl hydroperoxide, 266, 312
tribromophosphino-1-thione, 450, 485 trifluoromethyl hypochlorite, 342, 366
tribromopropane, 1,1,1-, 238 trifluoromethyl hypofluorite, 365
tribromosilane, 459 trifluoromethyl nitroperoxy, 351
tributylamine, 104 trifluoromethyl peroxy, 338
tributylhosphino-1-thione, 450, 485 trifluoromethyl phenyl ketone, 185
tributylstannane, 474 trifluoromethyl silane, 461
trichloro-1,2,2-trifluoro-ethane, 1,1,2-, 169 trifluoromethylhypofluorite, 321
trichloro-2,2,2-tri-fluoro ethane, 1,1,1-, 222 trifluoro-N-phenyl-acetamide, 2,2,2-, 383
trichloroacetaldehyde, 181 trifluorophosphino-1-thione, 449, 485
trichloroacetic acid, 187 trifluoroprop-1-yne, 3,3,3-, 172
trichloroacetic acid, 2,2,2-, 230 trifluoropropene, 3,3,3-, 172
trichloroacetyl chloride, 182 trifluorosilane, 459
trichloro-eth-1-yl radical, 1,1,2-, 141 trihydroacenaphthene, 3,4,5-, 56
trichloro-eth-1-yl radical, 1,2,2-, 142 trihydropyrimidine-2,4,6-trione, 1,3,5-, 125
trichloroethane, 1,1,1-, 170, 222 triiodofluoromethane, 213
trichloroethane, 1,1,2-, 171 triiodomethane, 246
trichloroethanenitrile, 2,2,2-, 228 tri-iso-propanolamine, 118
trichloroethlene, 167 tri-iso-propylamine, 103
trichloroethylene, 1,1,2-, 221 triisopropylthiosilamethane, 457
trichlorofluoromethane, 212, 218 trimethyl allylsilane, 461
trichloroiodomethane, 245 trimethyl bicyclo(2.2.1) heptane-2-one, 1,7,7-, 91
trichloromethane, 63, 219 trimethyl bromosilane, 465
trichloromethyl hydroperoxide, 266 trimethyl chlorosilane, 464
trichloromethyl benzene, 176, 228 trimethyl fluorosilane, 464
trichloromethyl nitroperoxy, 351 trimethyl iodosilane, 465
trichloromethyl peroxy, 339 trimethyl morpholin-2-one, 4,5,5-, 123
trichloro-phenyl methane, 227 trimethyl sulfur pantafluoride, 446
trichlorophosphino-1-thione, 449, 485 trimethyl sulfur trifluoride, 446
trichlorosilane, 459 trimethyl-1-(phenylfonyl)-2-silaethane, 2,2,2-, 131
tricyclohexylphino-1-thione, 450, 485 trimethyl-1,2,3,4-tetrahydroquinoline, 2,2,4-, 392
triethanolamine, 118 trimethyl-1-pentene, 2,4,4-, 160
triethyl germane, 467 trimethyl-2-stanna-butane, 2,2,3-, 476
triethylamine, 103 trimethylamine, 103, 415
trimethylbutane, 2,2,3-, 150 tropylium phenoxides, substituted, 332

trimethylchlorogermane, 470 tropylium thiophenoxides, substituted, 441
trimethylgermane, 467 tungsten alkoxide, 345
trimethylhexane, 2,2,5-, 23, 152
trimethylhosphino-1-thione, 450, 485 U
trimethylpenane, 2,2,3-, 151
trimethylpenane, 2,3,3-, 151 ubiquinol-10, 295
trimethylpentane, 2,2,4-, 23, 152 ubiquinol-2, 295
trimethylpentane, 2,3-, 152 ubiquinol-6, 295
trimethylpentane, 2,3,4-, 152 uracil, 124, 375
trimethyl-propanol, 2,3,3-, 258 urazole, 4-substituted, 389
trimethylsilane, 456, 461 urea, 372
trimethylstannane, 474
trimethylstannane, substituted, 475, 476, 477 V
trimethyltetralin, 1,5,7-, 48
trimethylthiosilamethane, 457 valerolactone, d-, 100
trinitrobromomethane, 410 vinoxy peroxy, 341
trinitrobutane, 1,1,1-, 201, 411 vinyl acetate, 336
trinitrochloromethane, 410 vinyl alcohol, 256
trinitroethane, 1,1,1-, 201, 410 vinyl bromide, 236
trinitrofluoromethane, 410 vinyl chloride, 221
trinitromethancyanide, 201 vinyl fluoride, 215
trinitromethane, 111, 410 vinyl peroxy, 339
trinitropentane, 1,1,1-, 410 vinyl radical, 136
trinitropropane, 1,1,1-, 201, 410 vinylbenzene, 43
trioxocane, 1,3,6-, 83 vinyl-cyclo-hexane, 161
trioxygen bromide radical, 315
triphenyl germane, 469
triphenyl silamethane, substituted, 459 W
triphenyl-1-(phenylfonyl)-2-silaethane, 2,2,2-, 131
triphenylene radical cation, 59 water, 255
triphenylgermane, substituted, 470, 471, 472
triphenylimidazole, 2,4,5-, 389
triphenylmethane, 46 X
triphenylmethylium phenoxides, 333
triphenylphosphino-1-one, 485 xanthene, substituted, 52
triphenylphosphino-1-thione, 450, 486
triphenylstannane, 474
triphenylstannane, substituted, 475, 477
Y
tripropylamine, 103 ylide bromides, 132–133
trisilane, 459
trisulfur, 431
tri-tert-butyl germane, 467 Z
trithiane, 1,3,5-, 128
tropolone, 260 zeroane, 312, 341

Handbook of Chemical Bond Energies

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Handbook of Chemical Bond Energies

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Dedication

Dr. Sidney W. Benson

who introduced me to the ﬁeld of thermochemical kinetics

1. Based on Chemical Abstracts, Web of Science, and Google Scholar, the

Yu-Ran Luo, Ph.D., graduated from the University of Science and

AE appearance energy measurements

Chapter one Introduction ........................................................................................................1

Chapter two Experimental methods for measuring BDEs ...............................................13

Chapter three BDEs of C–H bonds ......................................................................................19

Chapter four BDEs of C–C bonds ......................................................................................147

Chapter ﬁve BDEs of C–halogen bonds ............................................................................211

Chapter six BDEs of O–X bonds .........................................................................................255

Chapter seven BDEs of N–X bonds ...................................................................................369

Chapter eight BDEs of S–, Se–, Te–, Po–X bonds .............................................................425

Chapter ten BDEs of P–, As–, Sb–, Bi–X bonds ...............................................................481

Chapter eleven BDEs of H(HG)–, Li(LiG)–, Na(NaG)–, K(KG)–, Rb(RbG)–,

11.2 Li– and LiG–X bonds ....................................................................................................496

Chapter thirteen BDEs of Sc(ScC)–, Y(YC)–, La(LaC)–,

Chapter fourteen BDEs of Ti(TiG)–, Zr(ZrC)–, and Hf(HfC)–X bonds ........................667

Chapter ﬁfteen BDEs of V(VG)–, Nb(NbC)–, and Ta(TaC)–X bonds ...........................689

Chapter seventeen BDEs of Mn(MnG)–, Tc(TcC), and Re(ReG)–X bonds ...................781

Chapter eighteen BDEs of Fe(FeG)–, Ru(RuC)–, and Os(OsC)–X bonds ....................803

Chapter nineteen BDEs of Co(CoG)–, Rh(RhC)–, and Ir(IrC)–X bonds ......................855

Chapter twenty-one BDEs of Cu(CuG)–, Ag(AgG)–, and Au(AuG)–X bonds ...........967

Chapter twenty-two BDEs of Zn(ZnC)–, Cd(CdC)–, and Hg(HgC)–X bonds .........1027

Chapter twenty-three BDEs of B(BG)–, Al(AlG)–, Ga(GaG)–, In(InG)–, and

Chapter twenty-four BDEs in the C-, Si-, Ge-, Sn-, Pb-clusters

Chapter twenty-ﬁve BDEs in the N-, P-, As-, Sb-, Bi-clusters

Chapter twenty-seven BDEs in the halogenated molecules, clusters

Chapter twenty-eight BDEs in rare gas atom/ion clusters ..........................................1429

Chapter twenty-nine Heats of formation of atoms, radicals, and ions ......................1453

Index of compound classes ....................................................................................................1621

Index of compound names ....................................................................................................1633

1.1 Comprehensive database of the BDEs

biatomic molecules; polyatomic molecules; organic compounds;

supramolecules; hydrogen-bonded species; surface-bonded species;

1.2 What is the BDE?

DH0 ðR XÞ Z Df H0 ðRÞ C Df H0 ðXÞKDf H0 ðRXÞ: (1.2)

Bond Dissociation Processes Examples

RKX/RCX (neutrals) CH4/CH3CH; Fe(CO)5/Fe(CO)4CCO

DH0 ðRCKXÞ Z Df H0 ðRCÞ C Df H0 ðXÞKDf H0 ðRCXÞ

Z DH0 ðRKXÞ C IEðRÞKIEðRXÞ (1.3)

DH0 ðRKKXÞ Z Df H0 ðRKÞ C Df H0 ðXÞKDf H0 ðRKXÞ

Z DH0 ðRKXÞKEAðRÞ C EAðRXÞ: (1.4)

NIST website (2002NIST/COM) provide more information about calculated BDEs,

1.3 Why are reliable BDEs needed?

DH0 ðH–HÞ Z 104:1539 G 0:0001 kcal=mol or 435:7799 G 0:0001 kJ=mol

DH0 ðH–DÞ Z 104:9767 G 0:0001 kcal=mol or 439:2223 G 0:0002 kJ=mol

DH0 ðD–DÞ Z 105:9560 G 0:0001 kcal=mol or 443:3197 G 0:0003 kJ=mol

1.4 Scope of this book

Does This Book Other

BDEs in diatomic molecules and ions

BDEs in organic compounds (including Neutral

BDEs in inorganic compounds Neutral

Van der Waals complexes

Proton afﬁnities (PA) of species (1) 1998HUN/LIA

RH/RKCHC Gas-phase acidity, GPAZDacidH(RKH)ZDH0(RKKHC)ZDH0(RKH)KEA(R)CIE(H)

RHC/RCHC Proton afﬁnity (Gas-phase basicity), PAZGPBZDH0(RKH)CIE(H)KIE(RH)

This book is divided four sections:

4. Chapter 29 summarizes the heats of formation of atoms, inorganic and organic

1.5 On energy units

1 cmK1Z(for 1 1.239842(K4) 4.556335(K6) 1.438769 2.85914(K3) 1.196266(K2)

1 eVZ(for mass 8.06554(C3) 1 3.674931(K2) 1.16045(C4) 2.30605(C1) 9.64853(C1)