MOLECULAR SPECTRA

and

MOLECULAR -STRUCTURE
IV. CONSTANTS OF DIATOMIC
MOLECULES

BY
K. P. Huber and G. Herzberg
National Research Council of Canada

tnrii5I VAN NOSTRAND REINHOLD COMPANY

~ NEW YORK CINCINNATI ATLANTA PALLAS SAN FRANCISCO
LONDON TORONTO MELBOURNE
Van Nostrand Reinhold Company Regional Offices:
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Copyright© 1979 by Litton.Educational Publishing, Inc.

Library of Congress Catalog Card Number: 50-8347

ISBN: 0-442-23394-9

All rights reserved. No part of this work covered by the copyright hereon may
be reproduced or used in any form or by any means-graphic, electronic, or
mechanical, including photocopying, recording, taping, or information storage
and retrieval systems-without permission of the publisher.

Manufactured in the United States of America

Published by Van Nostrand Reinhold Company

135 West 50th Street, New York, N.Y. 10020

Published simultaneously in Canada by Van Nostrand Reinhold Ltd.

15 14 13 12 11 10 9 8 7 6 5 4 3 2 1

Library of Congress Cataloging in Publication Data

Herzberg, Gerhard, 1904-
Molecular spectra and molecular structure.

Vol 4 by K. P. Huber and G. Herzberg.

Bibliography: p.
Includes indexes.
CONTENTS: 1. Spectra of diatomic molecules.
-4. Constants
of diatomic molecules.
1. Molecular spectra-Tables. 2. Molecular struc-
ture-Tables. I. Huber, Klaus-Peter, 1934-
11. Title.
QC451.H64 543'.085 50-8347
ISBN 0-442-23394-9 (v. 4)
 PREFACE

Since the publication in 1950 of Vol. I, Spectra of Diatomic Molecules of

Molecular Spectra and Molecular Structure, much progress has been made
in the field. While there have been some important refinements in the theory
of diatomic molecular spectra, most of the advances have been in the further
exploration of individual spectra. Not only has the number of molecules
about which some spectroscopic data are available been increased by a factor
of 2 to 3, but also the spectroscopic information about the molecules known
in 1950 has been vastly extended. This is due to the observation of new elec-
tronic states (about three times as many as known before), the enormous
improvements in the accuracy of the constants of the states known in 1950,
and the determination of higher order constants.
In view of the increasing use of spectroscopic information on diatomic
molecules in other fields of physics, in chemistry, and in astrophysics, it
appeared desirable to prepare an up-to-date version of the table of molecular
constants in the appendix of Vol. I. This updating proved to be far more
time-consuming than originally anticipated, and it is only now, 10 years
after its initiation, that we are able to present such a table, which, instead
of the original 80 pages (plus 30 pages of bibliography), now fills a volume
of 700 pages.
In the interest of economy, and unlike the original version, the new table
has been produced by photo-offset from the final manuscript. Thus, typo-
graphical errors, which would have been likely to occur in such a difficult
typesetting job, were entirely eliminated. We have spared no effort to make
the table as up-to-date as possible. The date of final revision of each part
is indicated. While the principal constants of each state of each molecule
are listed uniformly in the body of the table, additional constants that could
not be fitted in are given in the footnotes. Also, many qualifications and
other explanations are added in this way.
We hope that users of these tables will find them helpful in supplying up-
to-date constants as well as references to the most recent literature.
We are greatly indebted to many colleagues who have supplied advance

v
vi PREFACE

information on recent unpublished work. The tables edited by the late

B. Rosen were of great help to us in finding some of the earlier literature on
many of the molecules dealt with therein. We have also greatly profited by
the special tables prepared by P.H. Krupenie on 02 and CO and by Krupenie
and A. Lofthus on N1. But wherever possible we have checked with the orig-
inal publications. Particularly valuable to us throughout the entire course
of this work were the Berkeley Newsletters prepared by J. G. Phillips and
S. P. Davis; without them, a great many of the publications listed in the tables
and in the appendix might have escaped our attention.
Although the final manuscript was prepared by one of us (K.P.H.), many
drafts of the tables were typed by M. P. Thompson, and much checking of
numbers and references was done by her and I. Dabrowski. We are most
grateful for their efforts.
Finally, we must acknowledge that the National Research Council of
Canada supported this work throughout the protracted period of its prep-
aration by permitting one of us to spend all of his time for more than 10
years-and the other, part of his time-on this project and by providing other
necessary facilities.
K. P. HUBER
Ottawa (Canada), May 1978 G. HERZBERG
 INTRODUCTION

In this volume, we present a compilation of available data for all diatomic

molecules and ions. The format of most of the tables follows closely that
used in Table 39 of Volume 11 of this series; that is, the various known elec-
tronic states and their symmetry symbols appear in the first column, and in
the adjacent columns the electronic energy (Te), the vibrational constants
(we and WeXe), the rotational constants (Be, ae, De), and the internuclear dis-
tance (re) are given. In the last three columns, the observed transitions in-
volving the particular electronic state, their voo values, and the references
on which the information is based are listed. The columns "weYe" and "Re-
marks" of the previous table have been omitted, but this information is given
in the footnotes. In addition, in the footnotes, references about Franck-
Condon factors, potential functions, and other constants are given such as
the following:
A Spin-orbit interaction parameter
A. Spin-spin interaction parameter
y Spin-rotation interaction parameter (not to be confused with the rota-
tion-vibration interaction constant, ye)
r Radiative lifetime
f Oscillator strength (f value)
µe1 Electric dipole moment in Debye units (1 D = 10- 18 esu cm).
g1 Rotational g factor in units of nuclear magnetons (µN)
A-type doubling constants p, q, ...
Hyperfine structure (hfs) constants such as the magnetic coupling con-
stants, a, b, c, d, and the electric quadruple coupling constant, eqQ.
At the top of each table, the reduced mass µ of the molecule is given, as well
as the dissociation energy Dg in the ground state and the ionization potential
(I.P.). Dissociation energies for states other than the ground state are easily
derived if the dissociation products are known. Normally they are not listed
explicitly.
1
G. Herzberg, Molecular Spectra and Molecular Structure. I. Spectra of Diatomic Molecules, 2nd ed.,
Van Nostrand (1950).

vii
viii INTRODUCTION

The data presented in the tables come from a wide variety of experimental
and theoretical studies. Of these, the most important are electronic spectra in
emission or absorption (extending from the infrared to the vacuum ultraviolet
and, in a few cases, the X-ray region), rotation-vibration spectra in the near
infrared, rotation spectra in the far infrared and especially in the microwave
(centimeter, millimeter, and submillimeter wave) regions. Additional highly
precise information comes for some molecules from molecular beam electric
and magnetic resonance studies and electron spin resonance spectra. Still
other information has been taken from photofragment spectra, photoelec-
tron and photoion spectra, and Auger electron spectra. In addition, data
from electron scattering (elastic and inelastic), atomic scattering, mass spec-
trometry, flame photometry, and thermochemical studies have been used.
References to lifetime measurements by various methods are also included,
as well as references to theoretical calculations, which may be compared
with experimental data or may fill gaps in existing experimental information.
The molecules are listed in strict alphabetical order (e.g., BaBr, BaCl pre-
cede BBr and BCl, even though this separates the latter from B1). Positiye
and negative ions, in this order, follow immediately after the corresponding
neutral molecule. Constants for hydrides, deuterides, and tritiides are given
separately; for all other molecules, they are given for only one, usually the
most abundant, isotope or for the natural isotopic mixture. In the latter case,
the mass number for the most abundant species of one or both of the con-
stituent atoms appears in parentheses and the reduced massµ, also in paren-
theses, has been calculated accordingly. 2
As in Volume I, the footnotes are referred to by lower-case lettersa,b,c, · · ·
continuing where necessary with a',b',"c', .... In tables that extend over several
pages, the sequence of footnotes starts with a on each page.
The references to the original literature are numbered in chronological
order for each molecule and follow immediately at the end of the correspond-
ing table. In order to save space, they are given in abbreviated form, omit-
ting the initials of the authors and using code names for the journals as well
as for the monographs. An alphabetical list of these abbreviated publica-
tion titles may be found on pages 1 through 7.
Each table carries the date (month and year) of its last revision. Consid-
ering the inevitable delay between publication of a paper and its eventual ·
digestion for the purpose of the table, we estimate that the information in
the table can be regarded as complete up to an effective cutoff time of three
or four months prior to the indicated date. When the date is followed by
the letter A, it indicates that in the appendix on pages 690 through 716 a
list and short description may be found of additional publications that came
to our notice after completion of the particular table.

2
For ions with unequal nuclear charges, the reduced mass is not given explicitly. An ambiguity arises here
with respect to the calculation of µ, which we did not undertake to resolve; instead, we used the reduced
mass of the corresponding neutral molecule for the evaluation of internuclear distances. This approxima-
tion will normally not significantly increase the uncertainty of the result.
 INTRODUCTION ix

The notation for spectra of diatomic molecules has been standardized

for many years. We have followed this notation throughout this volume.
There is one important change in the notation, which was internationally
agreed upon after the publication of Volume I: the change from K to N for the
angular momentum excluding electron spin and the corresponding quantum
number. There are still authors who ~re not aware of this change, which was
agreed upon because, in polyatomic molecules, K represents the component
of Jin the direction of the top axis, and both Kand N are needed there when
S# 0.
All numbers in the tables are in cm- 1 units except where otherwise in-
dicated. The conversion factors and fundamental constants which we have
used are based on "The 1973 Least-Squares Adjustment of the Fundamental
Constants" by Cohen and Taylor (J. Phys. Chem. Ref Data 2 [4], 663-:-734
[1973]). The most important of these are the following:
1 eV = 8065.4% cm-I
1 kcal/mol = 349.75s cm-I
1 kJ / mol = 83.5935 cm-I
c = 2.99792458 X 10+10 cm s-1
m(12C)
= 1.6605655 x 10-24 g
12
h
= 27.99320 X 10-40 g cm 2 cm-I

= 16.85763 a.m.u. A2 cm- 1

k
= 0.695030 K-I cm- 1
he
lK =0.000086173 eV
The reduced masses are referred to m(1 2C) = 12.00000000 and are calculated
from the atomic masses given in the table by Wapstra and Gove (Nucl. Data
Tables 9, 265-301 [1971]).
All the data in the table have been reviewed critically. They are, however,
presented without error limits. The addition of meaningful and uniformly
evaluated error limits would have meant an enormous increase in the time
required to complete these tables. Instead, we hope that the number of digits
quoted may serve as a very rough indication of the estimated order of mag-
nitude of the error, generally ±9 units of the last decimal place. Where the
last digit is given as a subscript, we expect that the uncertainty may consid-
erably exceed ± 10 units of that last decim~l place.
In almost all cases, and unl~ss stated otherwise, the constants We, WeXe,
Be, ae, and De that are listed are effective constants; that is, apart from sign
they correspond to the coefficients Ytm in the Dunham series expansion for
the term values
TvJ = L Y1m(V + 1) 1Jm(J + I)m
lm
x INTRODUCTION

The signs are defined as follows:

2
G(v) = We(V + D - WeXe(V + D + WeYe(V + D3
+ WeZe(V + !) 4 + ...
2 3 3
Fu(J) Bul(J + 1) DuJ2(J + 1) + Huf (J + 1)
2
Bu = Be - ae(V + D + )'e(V + !) + ...
Du = De + /3e(V + !) + · · •
The higher order constants are given in the footnotes.
Te is usually calculated from the observed transitions without taking into
account the quantity Yoo in the upper or lower state. Exceptions are men-
tioned in the footnotes.
The dissociation energy Dg is always defined as the energy of the ground
state atomic products relative to the lowest existing level of the molecule.
In almost all cases, there is a footnote after Dg, which explains the method
used in its derivation. The description "thermochemical value" is used to in-
dicate any determination (mass spectrometric, flame photometric, or other)
that involves the evaluation of a thermochemical equilibrium. Where neces-
sary, thermochemical values that have been derived from exchange reac-
tions have been adjusted to take account of recent changes in the dissociation
energies of the reference molecules.
In agreement with common practice, the first ionization potential (in e V)
is taken as the energy difference of the lowest existing level of the ion and
the lowest existing level of the neutral system. Analogous definitions apply
to positive as well as negative ions although, for the latter, the LP. is more
commonly referred to as electron affinity of the neutral. Higher ionization
potentials have in some cases been added in the table or in the footnotes.
Electron impact appearance potentials have only rarely been included since
their accuracy is usually low (typically ±0.5 eV).
It appears nearly impossible to ·give a generally applicable definition of
the band origins. Here, origins in singlet systems normally refer to the zero
lines; that is, they include the .[independent term -BA 2, which some authors
prefer to include in the rotational energy expression. Similarly, for case "a"
multiplet states, a corresponding definition applies to individual sub-bands;
exceptions to these rules are usually indicated in the footnotes. For inter-
mediate coupling or coupling close to case "b", we frequently refer to the
zero-point of the Hill-Van Vleck (or equivalent) expression; an explanation
is usually given in the footnotes. Multiplets very close to case "b" are often
treated as singlets disregarding electron spin. In all cases where our defini-
tion of the origin deviates strongly from that used by the original author,
we have indicated this in the accompanying footnote.
The magnitude and sign of the A-type doubling is indicated in many in-
stances in footnotes by quoting either the difference B(R,P) - B(Q), which is
equivalent to B(II+) - B(II-) for transitions involving a I+ state, or the leading
terms in the expression giving the observed splitting as a function of J. ForIi
 INTRODUCTION xi

the labeling of the parity doublet levels, we have adopted the recommenda-
tions of Brown et al. (J. Mo!. Spectrosc. 55, 500 [1975]):
1
integral J: e levels have parity +(-1 )
f levels have parity -(-1 )1
1
half-integral J: e levels have parity +(-1 )
1
f levels have parity -(-1 )
The sign of the splitting is defined by
AveJ(J) = Fe(J) - FJ(J) = -AVJe(J)
2
For some case "b" II states we give Ave1 (N) and refer to the Fr component ..

The following symbols are used throughout the table:

H Data obtained from band head measurements
z Data obtained from, or referring to, band origins
R Shaded towards longer wavelengths
v Shaded towards shorter wavelengths
() Uncertain data
[] Data refer to v = 0 or lowest observed level. Te values in square brackets
give the energy of this level relative to the minimum of the ground-state
potential energy curve. Vibrational frequencies in square brackets cor-
respond to A G(D or the lowest observed integral.
{} Hypothetical levels
Emission. · ·
} A ccor d'mg to mternat10na 1 agreement t h e
Ab sorpt10n .
· . d b . upper state always comes first.
E mission an a sorpt10n
* Indicates a reference number where a good record or reproduction of the
spectrum mav be fo11nn
 CONTENTS

Preface . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . v
lntroductio,n . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . vn
Abbreviated publication titles . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1
Constants of diatomic molecules . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8
Appendix: Post-deadline publications . . . . . . . . . . . . . . . . . . . . . . . . . . 690

xiii
 MOLECULAR SPECTRA
and

MOLECULAR STRUCTURE
IV. CONSTANTS OF DIATOMIC
MOLECULES
ABBREVIATED PUBLICATION TITLES.

AA Astronomy and Astrophysics.

AA(Suppl.) Astronomy and Astrophysics, Supplement Series.
AANL Atti della (Reale) Accademia Nazionale dei Lincei. Rendiconti, Classe di Scienze Fisiche, Matematiche e
AAp Annales d'Astrophysique. Naturali.
AAQA Anales de la Asociacion Quimica Argentina.
AC( Int. Ed. Engl.) Angewandte Chemie. International Edition in English.
AD Atomic Data.
AdC Advances in Chemistry Series.
AdGp Advances in Geophysics.
AdHTC Advances in High Temperature Chemistry.
ADNDT Atomic Data and Nuclear Data Tables.
AdRS Advances in Raman Spectroscopy.
AF Arkiv foer Fysik.
AGEP Annales de Geophysique.
AMAF Arkiv foer Matematik, Astronomi och Fysik.
AO Applied Optics.
AP(Leipzig) Annalen der Physik (Leipzig).
AP(Paris) Annales de Physique (Paris).
APH Acta Physica Academiae Scientiarum Hungaricae.
ApJ Astrophysical Journal.
ApJ(Suppl.) Astrophysical Journal, Supplement Series.
APL Applied Physics Letters.
ApL Astrophysical Letters.
APP Acta Physica Polonica.
ARAA Annual Review of Astronomy and Astrophysics.
ARSEFQ Anales de la Real Sociedad Espanola de Fisica y Quimica.
AS Applied Spectroscopy.
AZ Astronomicheskii Zhurnal. - For English translation see SAAJ. 1
 2
BAMS Berkeley Analyses of Molecular Spectra. University of California Press.
1. s. P. Davis, j. G. Phillips, "The Red System (A 2 n -X 2 L:) of the CN Molecule" (1963).
1 J. G. Phillips, S. P. Davis, "The Swan System of the c2 Molecule"; "The Spectrum of the HgH Molecule"
BAPS Bulletin of the American Physical Society. (1968).
BAPS(MAP) Bulletin de l'Academie Polonaise des Sciences. Serie des Sciences Mathematiques, Astronomiques et Physiques.
BAS PS Bulletin of the Academy of Sciences of the USSR, Physical Series. - English translation of IANSF.
BBPC Berichte der Bunsen-Gesellschaft fur Physikalische Chemie.
BCSARB Bulletin de la Classe des Sciences, Academie Royale de Belgique.
BSCB Bulletin des Societes Chimiques Belges.
BSCF Bulletin de la Societe Chimique de France.
BSRSL Bulletin de la Societe Royale des Sciences de Li~ge.
CaP Cahiers de Physique.
cc Chemical Communications.
CCA Croatica Chemica Acta.
CF Combustion and Flame.
CJC Canadian Journal of Chemistry.
CJP Canadian Journal of Physics.
CJPS Chinese Journal of Physics. (Chinese Physical Society) Shanghai.
CJR Canadian Journal of Research.
CJS Canadian Journal of Spectroscopy.
CP Chemical Physics.
CPAS Commentarii, Pontificia Academia Scientiarum.
CPL Chemical Physics Letters.
CR Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences. Paris.
CRev Chemical Reviews.
cs Current Science.
CSp Canadian Spectroscopy.
DANS Doklady Akademii Nauk SSSR. - For English translation see DC, DPC.
DC Doklady Chemistry. - English translation of DANS (Chemistry Section).
DFS Discussions of the Faraday Society.
DISSEN A.G. Gaydon, "Dissociation Energies and Spectra of Diatomic Molecules", Jrd ed., Chapman and Hall ( 1968).
DONNSPEC Tables Internationales de Constantes S~lectionnees. 17. Donnees Spectroscopiques relatives aux Mol~cules
Diatomiques (etabli sous la direction de B.Rosen). Pergamon Press (1970).
DPC Doklady Physical Chemistry. - English translation of DANS (Physical Chemistry Section).
FDCS Faraday Discussions of the Chemical Society.
Fizika Fizika (Zagreb).
FSCS Faraday Symposia of the Chemical Society.
GCI Gazzetta Chimica Italiana.
GHDB Glasnik Hemijskog Drustva, Beograd. (Bulletin of the Chemical Society, Belgrade.)
HCA Helvetica Chimica Acta.
HPA Helvetic~ Physica Acta.

HT(USSR) High Temperature. - English translation of TVT.

HTS High Temperature Science.
IAMS Identification Atlas of Molecular Spectra. U. of Western Ontario (1964/5), York University (1967/7Z).
1 D. C. Tyte, R. W. Nicholls, "The A.W A 2 L: - X ZL: Blue-Green System" ( 1964).
E_ D.C. Tyte, R.W. Nicholls, "The Nz c3IIu-BJIIg Second Positive System" (1964).
J. D. c. Tyte, R. w. Nicholls, "The Nz+ Bzl:~-X ZI;~ First Negative System of Nitrogen" (1965).
!± G. R. H~bert, S. H. Innanen, R. W. Nicholls, "The Oz B JL:~ -X JL:~ Schumann-Runge System" ( 1967) •
..2 D. c. Tyte, s. H. Innanen, R. w. Nicholls, "The Cz A Jng-X' Jnu Swan System" (1967) •
.§. V. Degen, S. H. Innanen, G. R. Hebert, R. W. Nicholls, "The Oz A 3L:~ - X JL;g Herzberg I System" ( 1968).
1 J.A.Harrington, R.M.Seel, G.R.Hebert, R.W.Nicholls, "The VO c4l:--x4L:- Yellow-Green and B4n-x4L:-
Red Systems" (1970).
£1 B. Brocklehurst, G. R. Hebert, s. H. Innanen, R. M. Seel, R. W. Nicholls, "The CN A Zn -X 2 L:+ Red System"
(1971).
2 B. Brocklehurst, G. R. Hebert, s. H. Innanen, R. M. Seel, R. W. Nicholls, "The CN B 2 L:+ -X 2 L:+ Violet System"
(197Z).
IANNM Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy. - For English translation see IM.
IAN SF Izvestiya Akademii Nauk SSSR, Seriya Fizicheskaya. - For English translation see BASPS.
Icarus Icarus.
ICB Industrie Chimique Belge.
IDSPEC R. W. B. Pearse, A.G. Gaydon, "The Identification of Molecular Spectra". Chapman and Hall, Jrd ed. 196J, 4th
IJMSIP International Journal of Mass Spectrometry and Ion Physics. ed. 1976.
IJP Indian Journal of Physics.
I JP AP Indian Journal of Pure and Applied Physics.
IJQC International Journal of Quantum Chemistry.
IM Inorganic Materials. - English translation of IANNM.

3
 4
INCL Inorganic and Nuclear Chemistry Letters.
IPCR See Sci. Pap. IPCR (Tokyo).
ISOANK Izvestiya Sibirskogo Otdeleniya Akademii Nauk SSSR, Seriya Khimicheskikh Nauk. - For English translation
IVUZF Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika. - For English translation see SPJ. see SCJ.
IVUZK Izvestiya Vysshikh Uchebnykh Zavedenii, Khimiya i Khimicheskaya Tekhnologiya.
JACS Journal of the American Chemical Society.
JAN AF JANAF Thermochemical Tables. 2nd edition. NSRDS-NBS J7 (1971).
JAP Journal of Applied Physics.
JAS Journal of Applied Spectroscopy. - English translation of ZPS.
JATP Journal of Atmospheric and Terrestrial Physics.
JCP Journal of Chemical Physics.
JC PPB Journal de Chimie Physique et de Physico-Chimie Biologique. Paris.
JCS Journal of the Ch.emical Society.
JCS FT Journal of the Chemical Society. Faraday Transactions.
JES RP Journal of Electron Spectroscopy and Related Phenomena.
JGR Journal of Geophysical Research.
JIC(USSR) Journal of Inorganic Chemistry (USSR). - English translation of ZNK.
JINC Journal of Inorganic and Nuclear Chemistry.
JJP Japanese Journal of Physics.
JLTP Journal of Low Temperature Physics.
JMS Journal of Molecular Spectroscopy.
JMSt Journal of Molecular Structure.
JOSA Journal of the Optical Society of America.
JP Journal of Physics.
JP(Paris) Journal de Physique (Paris)., and Journal de Physique (Paris), Lettres.
JPC Journal of Physical Chemistry.
JPCRD Journal of Physical and Chemical Reference Data ..
JPhoC Journal of Photochemistry.
JPR Journal de Physique et le Radium.
JPSJ Journal of the Physical Society of Japan.
JPUSSR Journal of Physics (Moscow).
JQE IEEE Journal of Quantum Electronics.
JQSRT Journal of Quantitative Spectroscopy arid Radiative Transfer.
JRCNRS Journal. des Recherches du Centre National de la Recherche Scientifique.
JRNBS Journal of Research of the National Bureau of Standards.
JRS Journal of Raman Spectroscopy.
JSHU Journal of Science of the Hiroshima University.
JSIR Journal of Scientific and Industrial Research.
JSRBHU Journal of Scientific Research of the Banaras Hindu University.
KEM Kvantovaya Elektronika (Moscow). - For English translation see SJQE.
LNC Lettere al Nuovo Cimento (della Societa Italiana di Fisica).
LTS Low Temperature Science, Series As Physical Sciences. (Teion Kagaku, Butsuri-Hen.)
MET OX A. Gatterer, J. Junkes, E.W. Salpeter, B. Rosen, "Molecular Spectra of Metallic Oxides", Specola Vaticana
MOLSPEC G. Herzberg, ,.Molecular Spectra and Molecular Structure". Van Nostrand Reinhold. (1957).
1 Spectra of Diatomic Molecules. 2nd ed. (1950).
~ Infrared and Raman Spectra of Polyatomic Molecules (1945).
1 Electronic Spectra and Electronic Structure of Polyatomic Molecules (1966).
MP Molecular Physics.
MSRSL Memoires de la Societe Royale des Sciences de Liege {Collection en 8°).
MSRSL* Memoires de la Societe Royale des Sciences de Liege, Volume hors serie.
MUCB Moscow University Chemistry Bulletin. - English translation of VMUK.
NARSSU Nova Acta Regiae Societatis Scientiarum Upsaliensis.
Nature Nature (London).
Nature PS Nature (London), Physical Sciences.
Naturw. Naturwissenschaften.
NBSM National Bureau of Standards (U.S.), Monograph.
NC Nuovo Cimento {della Societa Italiana di Fisica).
NC (Suppl.) Nuovo Cimento, Supplemento.
NDVSK Nauchnye Doklady Vysshei Shkoly, Khimiya i Khimicheskaya Tekhnologiya.
NIM Nuclear Instruments and Methods.
NSRDS-NBS National Standard Reference Data Series, National Bureau of Standards (U.S.).
QC Optics Communications.
OPA Optica Pura y Aplicada.
OS Optika i Spektroskopiya. - For English translation see OS(Engl.Transl.).
OS (Engl. Transl.) Optics and Spectroscopy (USSR). - English translation of OS.
PASP Publications of the Astronomical Society of the Pacific. 5
 6
PBCS Proceedings of the British Ceramic Society.
PC Physics in Canada.
PCS Proceedings of the Chemical Society, London.
PDAO Publications of the Dominion Astrophysical Observatory, Victoria, British Columbia.
Physica Physica.
PIAS Proceedings of the Indian Academy of Sciences.
PKN AW Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen, Amsterdam.
PL Physics Letters.
PM Philosophical Magazine.
PNASI Proceedings of the National Academy of Sciences, India.
PNASU Proceedings of the National Academy of Sciences of the United States of America (Washington).
PNISI Proceedings of the National Institute of Sciences of India.
PP Photochemistry and Photobiology.
PPMSJ Proceedings of the Physico-Mathematical Society of Japan.
PPS Proceedings of the Physical Society, London.
PR Physical Review.
Prama~a Prama~a (India).
PRIA Proceedings of the Royal Irish Academy.
PRL Physical Review Letters.
PRR(Suppl.) Philips Research Reports, Supplements.
PRS Proceedings of the Royal Society of London.
PS Physica Scripta.
PSS Planetary and Space Science.
PTRSL Philosophical Transactions of the Royal Society of London.
PZ Physikalische Zeitschrift.
PZS Physikalische Zeitschrift der Sowjetunion.
~ Quarterly Reviews, Chemical Society.
RIHTR Revue Internationale des Hautes Temperatures et des Refractaires. Paris.
RiSc La Ricerca Scientifica.
RJIC Russian Journal of Inorganic Chemistry. - English translation of ZNK.
RJPC Russian Journal of Physical Chemistry. - English translation of ZFK.
RMP Reviews of Modern Physics.
RO Revue d'Optique, Theorique et Instrumentale.
RPA Revue de Physique Appliquee.
RR Radiation Research.
RRP Revue Roumaine de Physique.
RS Ricerche Spettroscopiche, Laboratorio Astrofisico della Specola Vaticana.
SA Spectrochimica Acta.
SA(Suppl.) Spectrochimica Acta (Vol. 11), Supplement (1957). Proceedings of the 6th Colloquium Spectroscopicum
Internationale, Amsterdam, May 14-19, 1956.
SAAJ Soviet Astronomy - AJ. - English trans la ti on of AZ.
SAJS South African Journal of Science.
Science Science.
Sci. Pap. IPCR (Tokyo) Scientific Papers of the Institute of Physical and Chemical Research, Tokyo.
SCJ Siberian Chemistry Journal. - English translation of ISOANK.
SJQE Soviet Journal of Quantum Electronics. - English translation of KEM.
SL Science of Light (Tokyo).
SPJ Soviet Physics Journal. - English translation of IVUZF.
SpL Spectroscopy Letters.
SPU Soviet Physics - Uspekhi. - English translation of UFN.
TA Thermochimica Acta.
TFS Transactions of the Faraday Society.
TVT Teplofizika Vysokikh Temperatur. - For English translation see HT(-USSR).
UFN Uspekhi Fizicheskikh Nauk. - For English translation see SPU.
USIP University of Stockholm, Institute of Physics. Reports.
VMUK Vestnik Moskovskogo Universiteta (Seriya II), Khimiya. - For English translation see MUCB.
ZA Zeitschrift fur Astrophysik.
ZAMP Zeitschrift fur Angewandte Mathematik und Physik. [Journal for Applied Mathematics and Physics (ZAMP)].
ZE Zeitschrift fur Elektrochemie. Berichte der Bunsengesellschaft fur Physikalische Chemie.
ZFK Zhurnal Fizicheskoi Khimii. - For English translation see RJPC.
ZN Zeitschrift fur Naturforschung.
ZNK Zhurnal Neorganicheskoi Khimii. - For English translation see JIC(USSR) [1956 - 1958] and RJIC [1959 + ].
ZP Zeitschrift fur Physik.
ZPC Zeitschrift fur Physikalische Chemie.
ZPS Zhurnal Prikladnoi Spektroskopii. - For English translation see JAS.
ZWP Zeitschrift fur wissenschaftliche Photographie, Photophysik und Photochemie. 7
 8

State Te w w x Be <Xe De re Observed Transitions References

e e e
Clo-7cm-1 ) (i) Design. I voo

<107,109> Ag 1 Cµ = 53.9478293) ng = 1.66 eVa OCT 1974 A

E 40159.1 146.0 8 H 1.54 E.(- X, R 40135.7 H C5)C7)C8)
D ln Clu) 39023.7 166.7 HR 1.134 D'°" X, R 39010.7b HR C5)C8)
1 u HQ
c nu Clu) 37626.9 172.9 1.07 c~x, R 37617.0C HQ C5)C7)(8)
B 35827.3 151.3 H 0.70 B~X, R 35806.7 H {5)(8)
A 22996.4 154.6 H o.587d A~X, R 22977.5
0 H (1)(2)* (5)
x lE+g 0 192.4 H o.643d

I07Ag 17Al µ = 21 • .5440781 0

Do = l.95 eVa OCT 1974
c ln 31744.8 [221.06]b [0.1225]C [1.6] [2.525] c~x, R 31727 • 33C Z (2)
B lE+ 274.59.17 [199.85] z (1.66) o.11706d 0.00112 1.6 2 • .5854 B+- X, R 27432.32 z C2)
x lE+ 0 [254.34] z Cl.13) 0.12796 0.00076 1.27 2.4728

c101> Ag 191Au Cµ = 69.2948075) n00 = 2.0 6 ev a

I

OCT 1974
Four bands in thermal emission, possibly forming a progres~ion with
Cl)
w:::: 200 cm-1 • No wavelengths given.

109Ag 2.09Bi µ = 71. 5949106 FEB 1975 A

B co+) 20753.0 145.29 H o.335a B~X, R 20749.6 H (1)(2)(3)*
A Co+) 16364 144.o 0.53 co.02oo)b co.0000551) co.0153) (3.43) A-+X, 16J60c
R (2) (J)*
A-+X', RV 12176.8 HQ (3)*
x' Cl) 4185 148.5 0.50 (o.0199)b co.0000483) co.0143) (J.44)
x co+) 0 152.14 H o.405d (0.0198)b (0.0000435) C0.0135) (3.45)
 8Thermochemical value {mass-spectrom.){J)(4)(6),
recalculated (9).
bQ .head at )8995.6 cm- 1 •
c.R -head at 376 28. 2 cm -1..
dconstants for l07Agl09 Ag~ wey e (A)= +o. 0023,. wey e (X) =
+0.0003.
(1) Ruamps, CR £:2§., 1489 (1954).
(2) Kleman, Lindkvist, AF _2, 385 (1955).
(3) DrowaTt~ Honig, JCP £2, 581 {1956); JPC 61, 980
(1957).
(4) Schissel, JCP 26, 1276 (1957).
(5) Ruamps, AP(Paris) ~' 1111 (1959).
(6) Ackerman, Stafford, Drowart, JCP JJ., 1784 {1960).
(7) Maheshwari, IJP J.Z, 368 (1963).
(8) Choong, Wang, Lim. Nature .£Q.2, 1300 (1966).
(9) Srooes, Mandy, Vander Auwera-Mahieu, Drowart,
BSCB 81, 45 (1972).
AgAu1 aThermochemical value (roass-spectrom.)(2).
(1) Ruamps, SA(SU:ppl.) 11, 329 (1957).
(2) Ackerman, Stafford, Drowart, JCP JJ., 1784 (1960).
AgBi1 aw y = +o. 00007.
b e e
Rotational structure not resolved •. The rotational con-
stants have been estimated (3) from the appearance of
extra heads in the red and infrared systems. They appear
doubtful considering the unexpectedly large values of re
resulting from them.
cHe~d of the 0-0 band at 16394.5 cm- 1 •
dwey e = +o. 00044.
(1) Houdart, Lochet, CR B ~' )8 (1970).
(2) Lochet, CR B £,Zg, 44, 797 (1971); ~' 174 (1972).
(3) Lochet, JP B 1, 505, L543 (1974).

AgAJ,1 aThermochemical value (mass-spectrom.)(l).

bFrom (2), no details.
cConstants refer to the normal l07Ag/l09Ag isotopic
mixture.
dPerturbations in v=O and 1.
(1) Blue, Gingerich, 16th Annual Conference on Mass Spec-
trometry and Allied Topics, Pittsburgh (May 1968)r
paper 129.
(2) Clements, Barrow, TFS 64, 289J (1968).

9
 10
State Te w w x Observed Transitions References
e e e
(i) Design. l v 00

io'A9a'Br µ = 46.423560 9 ng
= 3.1 eVa OCT 1974
Fragments of a band system at 24000 cm-1 , in absorption. (3)
c 43537.4 205.0 H 0.74 I I I C+- X, R 43516. 0 H (4)

B
x
(O+)
lz+
31280.43
0
Continuous absorption 29800- 32300 cm- 1 , maximum at 31400 cm-1 •
180.8
247.7 2
H
H
4.45b
0.679
5
I 0.063407
3
0.0002282 2c
I 1.7
l 2.39309
B+-+X, R31246.0 2 H
Microwave sp.d
(1)(8)
(l)* (2)
{7)(9)

I07Ag35Cl µ = 26.3497888 ng = 3.22 eVa OCT 1974

D (48800) (290) Fragments of two progressions. D+-X, R (4)
Continuous absorption above 47500 cm-1 •
43525.7
31602.65
294.1
278.36
H
z
1.70
4.047c
I 0.11912
o.001492d 9.4oe 2.3174 2
C+- X,
B+-+X,
R
R
43500. 9b H
31569.32 Z
(4)
(4)
(l)* {2)(3)
7 (5)(8)
1
Continuous absorption with maximum at )0300 cm- • (9)
0 343.49 z 1.17 I
0.12298~88 o.0005954o 5 6.305 4~ 2.280792 J. Microwave sp.h (6){7)(11)

c101> Ag C'3>(u {µ = 39.6120127) 0

Do = 1.76 eVa OCT 1974
/_

B 25851.6 178.5 H 0.50 B"'X, R 25825.0 H ( 3)

A 20836 171.5 H <0.5 A"'X, R 20806 H (1)
x 0 231.8 H 0.80

I07Ag''>F µ = 16.1316107 n 00 = 3. 64 ev a OCT 1974

c Unclassified bands, v ~ J84oo cm-1. C<E-X, R (3) (5)
Continuous absorption at 33000 cm-1. (J)(5)
B o+ (31663) [373.6] H
b [0.255486] c [47.2] [2.02244] B+- X, R31594.13 z (1) (J) (5)*
A o+ (29220) [455.39] z d [0.27268] o.00593d [J?.l]e [1.9576] A+- X, v 29250.87 z (3)(5)*
x l!:+ 0 513.447 z 2.593 0.2657020I o.0019206f 28.4f 1.983179 Microwave sp.g (4)
AgBrs aThermochemical value (5)(6). AgQJ, (continued)t
:weye =
r:. ~60.060.
-7 (9) •
= +l. 0 .x 10 •
t t
give cons an s for
107 79
Ag · Br.
( 8.) Clements, Barrow, TFS .QJ, 2876. ( 1'96"?} ..
(9) Davi"<iovits, Bell'isio, JCP 2.Q, 2787 (1969).
dF~r values of eqQ(79Br, 81 Br) see (7)(9). (10) Hildenbrand, JCP jg, 5751 (1970).
(1) Brice, PR J.§., 658 (1931). {11) Hoeft, Lovas, Tiemann,, T~rring, ZN 26 a, 240 (1971).
(2) Mulliken, PR ..21, 310 (1937).
(J) Metropolis, Be.ut],er, PR .i2,, 1113 (1939). AgCu1 ~hermochemical value (mass-spectrom.)(2).
(4) Barrow, Mulcahy, Nature 162, 336 (1948). (l} Ruamps, SA(Suppl.} 11, 329 (1957).
(5) Brewer, Lofgren, JACS 2£, 3038 (1950). (2) Ackerman, Stafford, Drowart, JCP .1J., 1784 (1960).
(6) Barrow, JCP 22, 573 (1954). (3) Joshi, Majumdar, PPS 1§., 197 (1961).
(7) Krisher, Norris, JCP 44, 974 (1966).
(8) Davidovits, Bellisio, JCP 2.Q, 3560 (1969}. AgF1 aThermochemical value (2). In agreement with an upper
(9) Hoeft, Lovas, Tiemann, Torring, ZN 26 a, 240 (1971). limit (Dg< 3.70 eV) from predissociation in AO+ (3)(5).
bFrom band heads a M(J/2, 5/2, 7/2) = 380.3, 373.2, 356.9.
AgCJ,1 aThermochemical value (10). 0
Levels with v ~ 1 are predissociated.
bo-o band not observed. dPredissociation in v=O for J > 85 and in v=l for J > 40.
cw e y e = -0.38 6 • The vibrational levels converge rapidly Levels with v > 1 are not observed.
above v=4. eD = 6 7.3x10 -8 ; H =-3.2xl0 -12 •
1 0
d+[6.2(v+i) 2 - 2.9(v+i)3Jx lo-5 (for v~4). f
f e = +3 • 8 o x 10-6 ; foe = +O .1 x 10 -8
e-[0.0257(v+i)- o.467(v+i) 2]x lo-8 (for v~4). gµet (v=O) = 6.2 2 D.
fr =+6.28 1 x10- 7 •
g e -8 -14 (1) Joshi, Sharma, IJPAP 1, 86 (1963).
f3e = -0.0018 x 10 ; He= -0.9 7 x 10 • {2) Zmbov, Margrave, JPC 11, 446 (1967).
hµet= 5.7 0 D [(6), criticised by (11) for neglect of (3) Clements, Barrow, CC (1968), p. 27.
quadrupole hfs]. For value of eqQ(35ct) see (11).
(4) Hoeft, Lovas, Tiemann, Torring, ZN £.:2. a, 35 (1970).
(1) Brice, PR ..12., 960 (1930). (5) Barrow, Clements, PRS A~' 243 (1971).
(2) See ref. (1) of AgBr.
(3) See ref. (2) of AgBr.
(4) Jenkins, Rochester, PR jg, 1141 (1937).
(5) Barrow, Morgan, Wright, PCS (1959), p. 303.
(6) Krisher, Norris, JCP 44, 391 (1966).
(7) Pearson, Gordy, PR 1..2,g, 42 (1966).

11
 12
State Te we wexe Be ae De re Observed Transitions References
(lo- 4cm-1 ) (i) Design.
l voo

c101> Ag C&9>GQ {µ = 41.9067693) Do

0
= 1.87 eVa OCT 1974
A JJ061.l 15).2 H o.8 2 A~ X, R .3.3045.J H (l)*
X ( 1E)

c101>A9'H
0 184.7 H o.6
5 I
0 a
l l
{µ = 0.99841289) D = 2.2 8 eV
0 OCT 1974.
co ( .3no> [5.1o]b [6.o] [1.820] co~ x, R 46981.1 z (10)*
d JE+ [(J.8J)]c [(2.100)] (46875)d (10)*
cl J l11 [(4.95)]e [(6.o)] [ (1.847) J c
1 ~ R
X, (46600)e (10)*
D 1n (46720) [844.7] z (120) 5.23f 0.58 6.o 1.797 D~X, R 46360.9 z (10)*
b (Jill) 1 [4.805]g [J.5] [1.8745] b+- x, h R 44529.2 z (10)*
B lr;+ (44512) [(1089)]i (65) (4.87)i (O.Jl) (J.8) (l.862) B+- X, R (442J4)i (10)
a Jn r (41700)j (1450) (50) (>6.J)j
'"' 1.64) (10)
c ln (41261) (1589)k (42)k [6.54] (O.Jl)k [4.9] [1.607] c~ x, z
4117J.6 (10)*
A lr;+ 29959 [1489.6] z 87.ol [6.0905] 0.)485
l
[J.89] [1.6650] A~X, R 29897.94 z (2)(.3)* (5)
(6)(8)
x lr;+ 0 1759.9 z J4.o6m 6.449° o.201m [J.44]n 1.6181

c101>A91H (µ = 1.97685802) D00 = 2.31 ev p OCT 1974

d Jr;+ [{ 2 o 09) JC [(2.02)] (47019)d (10)
(47025) [644.7] z (29) 2.J6q 0.12 r 46748.1 z
c2(JII2) [1.6] 1.90 c
2 ~ X, R (10)*
cl(Jrrl) (469J9) [(716.0)] 8 (J2) (2.58) 8 (O.lJ) (l.6)s (1.82) c1 ~ X, R (46700) 8 (10)*
D 1 rr Constants for v=l1 2.35f 1.6 1.90 D~X, R 47160.J z (10)
b (Jill) 1 [2.468]g [0.95] [1.859] b+- x, h R 44600.5 z (10)
B lr;+ (44476) [(811)]i (.36) (2.52) 1 (0.12) ( l. lO)i (1.84) B~X, R (44287.o)i (10)*
a Jnr (41700)j ( 1040) (25) (>J.2)j (< 1.63) (10)
c ln (41269) (1108)k (25) [J.JJ5] (0.118)k [1. 25] [l.5991] c~ x, VR 41195.5 z (10)*
A lr;+ 29960.04 1160.82 Jl.7Jl J.154 0.100,e 0.97 1.6443 A-+X, R 29911.22 z (4)(6)(7)*
x lr;+ 0 1250.70 z 17.17 J.2572 0.0722 [0.859]~ 1.61804
AgGa1 aThermochemical value (mass-spectrom.){2).
( 1) Biron, CR B, 264, 1097 (1967).
(2) Gingerich, Blue, 18th Annual Conference on Mass
Spectrometry and Allied Topics, San Francisco
(~une 1970); paper F2.
aGraphical Birge-Sponer extrapolation of X 1 E+. Thermo-
chemical value 2.4 eV (1).
9 Ag 2H (w e y e =-1.94 2 , o
bStrong perturbations. Constants valid near J=O only.
cFrom perturbations in c 1 (v=O).
dEstimated energy of v'=O,N'=O relative to X 1 E(v=0,N=O).
eThe only observed level is strongly perturbed by more
than one state. Constants refer to unperturbed region
around J=l9. Origin of 0-0 band (not observed) at
46692 cm- 1 •
!Perturbations in v=O,l; bands going to v'=O of Ag 2H have
not been analyzed. Constants refer to unperturbed regions
near J=O. Large A-type doubling;
Ag1H1 6.v f(v=O) = +0.244 J(J+l) - •••
2 e
Ag H1 llvef(v=l)=+0.077 2 J(J+l).
gConstants refer to unperturbed region near J=O. Large
n-type doubling;
1 (J) Bengtsson-Knave, NARSSU (IV) ~(4) (1932).
Ag H1 6v f = +0.156 J( J+l) - • • •
2 e
Ag H: 6.vef=+0.033 J(J+l) + •••
7 (5) Gero, Schmid, ZP 121, 459 (194J).
hp branch very weak or absent.
iApproximate constants for the deperturbed state. Origins
of the 0-0 bands at 44225.0 cm- 1 (Ag 1H) and 44277.4 cm- 1
2 (8) Loginov, OS (Engl. Transl. ) 16, 22 0 ( 1964) •
{Ag H). v=l is free of perturbations1
Ag l Ha B1=4.412, D1=3 • .5 xlO -4 'Vo ( 1-0 ) = 4 5322. 8 cm -1 ;
Ag2tt1 B1 = 2.343, n1 = o.95x lo-4, v 0 (1-o) = 45097.8 cm-1 •
jConstants estimated from perturbations in c n, B r+,1 1
Ag 1H, Ag 2H (continued)1
D 1 n of Ag1H, and b 1 of Ag 2H; vibrational numbering un-
certain. +150 ~A f: +200.
kApproximate constants for the deperturbed state. Pertur-
bations in v=0,1,2 are caused by a.3n. AG(l/2, J/2) =
1519, 1453 (Ag1H); 1056, 987 (Ag 2H) •
.t.Anomalous potential curve; see (6). Constants _for higher
vibrational levels of Ag1H in (2)(J). The cons\ants for
V" =-0.009) are valid for v6.4.
e
mHigher order terms are needed to represent levels with
v~4; see (2)(J)(5).
nHo= +88x lo- 10 (Ag1H) I +6x lo-10 (Ag 2H).
0
RKRV potential curve (9).
PFrom the value for Ag 1H.
qConstants refer to unperturbed regions near J=O. Small
A-type doubling.
rR, P much weaker than Q branches.
6
Approximate constants for the deperturbed state. v=O
strongly perturbed by more than one state. Origin of 0-0
band (not observed) at 46794 cm- 1 •
(1) Farkas, ZPC B j, 467 (1929).
(2) Bengtsson-Knave, Olsson, ZP .zg, 163 (19.31).
(4) Koontz, PR 48, 138 (1935).
(6) Learner, PRS A £.Q.2, J27 (1962).
(7) Ringstrom, AF 21, 145 (1962).
(9) Singh, Rai, CJP ~' 1685 (1965).
(10) Ringstrom, ~slund, AF J,g, 19 (1966).
13
 14
State w wx
e e Observed Transitions References
e
{i) Design. l v 00

c101>Ag ''sHo (µ = 64.862383) NOV 1974

101A
9 1
111
µ = 58.024719 5 D0O = 2. 6 ev a NOV 1974
D
c
(45487)
44721
( 176) b
155·5c H
H ( 2. 5)
1.7
I I I D'"° X,
c~ X,
H
R 44695 H
(3)(6)
(3)(6)
Continuous abso~ption above 42400 cm-1 • (3)
Continuous absorption 29800 - 33300 cm-1 , maximum at 31500 cm- 1 • (1)(2)(12)
31194.06 127.14 z 4.255d I 0.040716 o.000572d I [2.19]e I 2.6712 B~ X, R 31153.42 Z (l)* (2)(5)
(7)(10)(11)

~~~;~uou: abs:~::onl a:~:~::::: cm:~~00141J~f

(4)
A
x l~+
23906
0 0.847g I 2.544621
A+- X, R 23879
Microwave sp.h
H (4)
(13)

(101> Ag "sin (µ = 55.3801293) D0

O
= l. 6 9 ev a NOV 1974
B 33535.52 140.66b H 0.462 B~ X, R 33527.91bH (2)
A 32471.41 133.2oc H 0.377 A+- X, R 32460.41 c H (1)
0 155.54d H 0.423
c101l Ag c1> Li (µ = 6.5839134) D00 = 1. 8 1 eva APR 1975

D0O = 1. 4 o ev a NOV 1974

101 Ag''O µ = lJ.91324461 NOV 1974 A

Unclassified band system in the red; no details. (1)
B 2n{3/2
1/2
x2+28113.8
x1+28072.3
539.lb H
535.7b H
6.1 5
6.J4
[0.3195]
[O.Jl78]bc
[50]
[5l]b
I [l.9474]
B-+ X, v
28137.3b H
28094.2b H
(2)*
[l. 9526]
A 2n{J/2 x2+24540 [241.l]b H d [0.2816]d [171] [2.074] 24416.ob H
[237.3Jb H d [0.2812]cd
A-+X, R (2)*
1/2 x1+24J70 [168] [2.076] 24244.5b H
AgHoa aThermochemical value (mass-spectrom.)(l). Agins aThermochemical value (mass-spectrom.)(J).
(1) Cocke, Gingerich, JPC 1.2, J264 {1971). bFor lO?Ag!n.
°For l09Agin.
AgI1 a.rhermochemical value (8)(9). dAverage for l09Ag!n (from A~ X) and 107Agin (from Bi- X).
bAnalysis (3) uncertain. (6) estimate ve~46ooo,
we~ 165.
(1) Biron, CR B ~' 1026 (1967).
0
Average of (J} and (6). (2) Biron, CR B ~' 1427 (1967).
(J) Gingerich, Blue, 18th Annual Conference on Mass Spec-
dFrom v=0,1,2 onlys re= -0.0000Jl. The vibrational
levels converge rapidly to a maximum in the potential trometry and Allied Topics, San Francisco (June 1970);
curve at ""510 cm-1 above v=01 see (7). paper F2.
eD = 2.53 x 10-8 , D = J • .38 x 1-80 • AgLii
f
1
-8 2 aThermochemical value (mass-spectrom.)(l).
re=+5.7xlO. (1) Neubert, Zmbov, JCS FT I 1Q, 2219 (1974).
gCalculated from 4B e1 J 'w e2 • From the rotational analysis8
of B- X bands n0 • •.DJ = O. 96, O. 90, 0.85, 0.84 0 x 10- • AgNaa aThermochemical value (mass-spectrom.)(l).
hFor value of eqQ(l27r) see (13). (1) Piacente, Gingerich, HTS~' 312 (1972).
(1) Brice, PR 1§., 658 (1931). AgOa a.rhermochemical value (mass-spectrom.)(4).
(2) Mulliken, PR j!, 310 (1937). bFor the natural isotopic mixture l07Ag/l09Ag.
(3) Metropolis, PR ,i2, 636 {1939). cThe fl-type doubling observed in the i-+ t transitions of
(4) Metropolis, Beutler, PR ,i2, 111.3 (1939). A-+X and B-+X it? approximately given by 0.029(J+t) - •• •
(5) Sastry, Rao, IJP !2,, 1J6 {1945). and o.02 2 (J+i) - ••• , respectively.
(6) Barrow, Mulcahy, Nature 162, JJ6 (1948). dPredissociation above v=O, J=66i in A 2n and above
(7) Barrow, Mulcahy, PPS 61, 99 (1948). 112
v=O, J=7Ji in A 2 n • No bands involving v•=2 have been
(8) Brewer, Lofgren, JACS ]£, J038 (1950). 312
observed.
(9·) Barrow, JCP 22, 573 (1954).
(10) Barrow, Morgan, Wright, PCS (1959), P• JOJ. (continued p. 17)
(11) Barrow, Clements, Wright, TFS .QJ., 2874 (1967).
(12) Davidovits, Bellisio, JCP iQ, 3560 (1969).
(lJ) Hoeft, Lovas, Tiemann, T8rring, ZN 26 a, 240 (1971).

15
 16
State Te w w x Be «e De re Observed· Transitions References
e e e
(lo- 8cm-1 ) (i) Design. I voo

I07A9'60 (continued)
x e 490.5b 0.3036 0.0026 .50

l l l
2n{3;2 2 H 2.86 1.9977
x 1/2 x e 490.2b H 0.3020c 0.0025 45 2.003 0
1 3.06

c101> Aq{32> s (µ = 24.6115147) 0

Do = 2.21 eV
a NOV 1974

c107> Ag 021>5 b (µ = 56.7371748) NOV 1974

{Strong 0-0 sequence of R shaded bands in thermal emissioni w~ - w; =
System As 16330.1 H (l)
-lJ.1 cm- 1 • Vibr. numbering of 0-1 and 0-2 sequences uncertain.a
{ Strong 0-0 sequence of VR shaded bands in thermal emission; HQ
System Ba 15654.2 (1)
w•e - w"e = -9 • 5 cm-1 ' w•x• 1
e e = +o • 107 cm- • a
e e - w"x"

c101> Ag cao>se (µ = 45.7307007)

0
D0 = 2.06 eva NOV 1974
B {41491} ([18J])b H B~X, R (4146.5)b H ( 1)
A (29436) ([127])b H A':-X, R {29382)b H (1)
(X} 0 (2J4)b H

c•o7>Ag c12o>sn (µ = 56 • .5156257} Do

0
= l.3g eVa NOV 1974

c101> Ag uso>Te (µ = 58.6443133} 0

Do = 1.99 eva NOV 1974
c 41079 138.0 H 2.50 C4- X, R 41050 H (1)
B 38765 146.2 H 0.20 B~X, R )8740 H (1)
A 29168 124.o H 0.01 A+- X, R 29132 H (1)
x 0 195.J H 0.30
Ago (continued): AgSbs aAccording to (1) the bandhead measurements refer to
109Agl21Sb.
eNot quite certain that this is the ground state. It
appears to be regular with A~ +1J5 cm- 1 , contrary to (1) Lefebvre, Lochet, CR B £1..2, 85 (1972).
expectations; see (J).
AgSn1 ~hermochemical value (mass-spectrom.)(1).
(1) Loomis, Watson, PR 48, 280 (1935).
(2) Uhler, AF 1, 125 (1954). (1) Ackerman, Drowart, Stafford, Verhaegen, JCP J§., 1557
(J) Cheetham, Barrow, AdHTC 1, 7 (1967). (1962).
(4) Smoes, Mandy, Vander Auwera-Mahieu, Drowart,
BSCB 81, 45 (1972).

AgS, AgSe, AgTe1

~hermochemical value (mass-spectrom.)(2).
bAnalysis uncertain.
(1) Maheshwari, PPS 81, 514 (196J).
(2) See ref. (4) of AgO.

17
 18
State w wx
e e Observed Transitions References
l
e
Design. v 00

µ = lJ.4907703 D00 = 1. 55 e ya NOV 1975

278.80b H o. 831 c I 0.1907 0.0013 2.560 A-+X, R 172J4.o
5
H (l)* (2)*
350.0lb H 2.022d 0.2054 0.0012 2.466

µ = 20.1070892 ng = 4.43 eVa NOV 1975 A

35879.5 297.2 o.1555c o.00216d 2.322 A+-+X, R 35837.8 HQ (1)(2)* (J)
(4)* (5)
23779.3 410.)2 HQ 1.75 0.001 2.26 23795.3 HQ
a~ X, v (4)(6)*
23647 411.2 (Z) 1.75 23663g ( z)

0 378.0 0.15919713 0.00086044 9 ~ l.1285i 2.294807j Microwave sp.k ( 9)

AlC NOV 1975

The spectrum originally attributed to AtC (1) was later shown (2) to be due to At 2 •

µ = 15.2301459 NOV 1975 A

Fragments of additional systems in the region 48200 - 54900 cm-l (7)
I 18847.40 HQ
(43591) [o.226]c [2.21] b-+a, R 18911 (Z) (5)*
18975.00 HQ
(l)* (2)(3)
38254.o 449.96 0.006 Ai-+X, Ry 38237.7 HQ (4)
24658 24680 (Z)
a 3n 24593.84 524.)5 0.002 2.10 a-+X, V 24615.31 HQ (5)*
r {
24528 24541.65 Hp
0 0.24393012 o.00161113g 2.130113i Microwave sp.j ( 9) (11)
 aThermochemical value (mass-spectrom.)(5). Values in
(3)(4) are somewhat higher.
bFrom (1) who wrongly attributed the spectrum to ALC.
cw y = -0. 0104•
d e e
weye= -0.010 5 •
(1) Zeeman, CJP J.g,, 9 (1954).
(2) Ginter, Ginter, Innes, ApJ 1.J.2., 365 (1964).
(3) Blue, Gingerich, 16th Annual Conference on Mass-
Spectrometry and Allied Topics, Pittsburgh (1968);
(4) Uy, Drowart, TFS §:L, 1293 (1971). I paper 129.
(5) Stearns, Kohl, HTS 2, 113 (1973).
A.lBrt ~hermochemical value ( 8); 4. 58 eV from prediss. in A 1 n.
bweye= -0.527. This state may have a potential hump of
l'V0.20 eV (7)(8).
cPredissociation for v > 3. According to (11) emission
dfe= -0.000175.1 from v=2, 3 breaks off at J=93, 67, resp ••
eRapidly increasing with v.
fEstimated from P and Q head separations.
gp head at 23657.9 cm-1 •
hf, = +2.030 x l0- 6 •
.'_,e = -0.0020 7 x 10 -7 ; He= -1.119 x 10 -14 •
iAe
JFrom the corrected Be= 0.15920431.
kFor values of eqQ see (10).
( 1) Crawford, Ffolliott, PR 44, 953 (1933).
(2) Howell, PRS A 148, 696 (1935).
(J) Mahanti, IJP 2, 369 (19J5).
(4) Miescher, HPA ~' 279 (1935); 2, 693 (1936).
(5) Jennergren, Nature 161, 315 (1948); AMAF A J..2,
(6) Sharma, ApJ ll:J., 21;-{1951). INo. 22 (1948).
(7) Barrow, TFS 2§., 952 {1960).
(8) Barrow, Nature 1§2, 480 (1961).
A.lBr (continued)s
(9) Wyse, Gordy, JCP 2§., 2130 (1972).
(10) Hoeft, T~rring, Tiemann, ZN 28 a, 1066 (197J).
(11) Ram, Upadhya, Rai, Singh, OPA Q, 38 (1973).
A!Cs (1)(2) See ref. (1)(2), respectively, of A.t •
2
A.lC!1 aThermochemical value [see Appendix of ref.(10)]. See also
bEstimated from observed isotope shifts. I ( 8).
cv > O probably predissociated.
dweye= -0.216. This state may have a potential hump of
ePredissociation in v=lO (3). jrvo.26 eV (6)(8).
fEstimated from P and Q head separations.
g + 4. 6 9 x 10 - 6 ( v+i) 2 - 5. x 10 -9 ( v+~) J.
7 7
~foe= -o. 0053 x io-7; He= -4.4.5 6 x 10-14.
1
.From the corrected Be = 0.2439422 9 •
Jµe.t=lto2 D (9). Values of eqQ in (9)(12).
(1) Bhaduri, Fowler, PRS A~' 321. (1934).
(2) Mahanti, ZP 88, .5.50 (1934).
(3) Holst, ZP .2J, .5.5 (1934); Dissertation (Stockholm,
(4) See ref. (4) of A.lBr. I
193.5).
(.5) Sharma, ApJ ll:J., 210 (1951) •
(6) Barrow, JCP 22, 573 (19.54).
(7) Reddy, Rao, CJP J..2., 912 (19.57}.
(8) See ref. (7) of A.lBr.
(9) Lide, JCP 42, lOlJ (196.5)1 46, 1224 (1967) (erratum).
(10) Hildenbrand, Theard, JCP .iQ, .53.50 (1969).
(11) See ref. (9) of A.lBr.
(12) See ref. (10) of A.lBr.
19
 20
State Te w
e wexe Be tre De re Observed Transitions References
(10-'l crn- 1 ) Ci) Design. 1 voo

21Al'9F µ = 11.1484740 ng = 6.8 9 eva r.P. = 9.8 evb MAR 1976 A

Unclassified V shaded bands in the region 70900 - 74600 crn-1 1 in absorption. (6)*
H lE+ 67320 9.58 H 7-o [0.59214] [8.3] [1..5980] H-+ B, v 13114 • .57 z (17)(26)
H-+A, v 23447.J2C Z (17)(26)
H,...X, v 67397.03 z (.5)(6)*
g 3E+ (66910) [0~59544] [9.51] [1..5936] g-. b, v 22177.12 z (23)(26)
G lE+ 66334.o [931.46] z 8.0 H 0.60490 o.00767d [10.26] 1 • .5811 G-+ B, v 12123.34 z (26)
G-+A, v 224_56.09C Z (9)n (26}
Gt- X, v 66405.81 z (5)(6)*
f Jn 65803 [938.90] z (5.9} o.59355ef 0.00480 [9.29] 1.5961 f-+ o, v l085J.84c Z (26}
f-+b, v 21072.71° z (17)(23)(26)
38576.1
f-+a, v 38623.6 (7)(10)
38670.9
F ln 65795.6 955.33 z 5.38 o.59281gf 0.004.59 [8.78] 1.5971 F-+B, v 11.589.46° z (9)* (26)
F-+A, v 21922.22c Z (9)* (26}
F4- X, v 6_5871.95° z (5)(6)*
e .JE+ (65010) [0.59464] [8.4] [1.5946] e-+c, v 10064. 76 z (23)(26)*
e-+b, v 20283.63 z (17)(23)(26)
E ln 63689.4 923.02 z .5.28 o.58709h 0.00464 [9.46] 1.6049 E-+A, v 19799.95C Z (17)(26)
E+- X, v 63749.68° z (5)(6)
d ( J 8) i (6J20J) [930.2] (Z) d-+ a, v J601?.6 (Z) (7)(10)
D 18 i 61229.5 901.05 z 6.11 0.58297 0.00502 [9.87] 1.6105 D-+A, v 17)28.8.5° Z (4)(9)* (26)
ALFI aThermochemical value, see Appendix of ref. (20), also finteractions between levels of F 1 n and f 3n.
(21). gA-type doubling 6.vfe(v=O) = + o.00559x J(J+l) - ••• ,
binterpretation of Rydberg states (26). Electron im- decreasing with increasing v.
pact appearance potentials vary from 9.5 to 10.1 eV ~.A-type doubling 6.vfe = + 0.00025x J(J+l).
(16) (19) (21). 1
Compare with ab ini~io calculations by (28).
cBand origins as defined in ( 26); add B"./\!' 2 - B '.A' 2 to (continued p. 22)
obtain zero lines.
dConstants from (26). Small discrepancy with the B
1
value in the same paper.
eA-type doubling 6.vfe = + 0.00338 x N(N+l).

21
 22
State Te we wexe Be tt'e De re Observed -Transitions References
(lo-7cm-1 ) (~) Design. l voo

11Al '9F (continued)

c lE+ 57688.0 938.22 z .5.09j 0.58992 o.oo458k 9.231. 1.6010 C-+A, v 1J806.16c Z (2)(3)* (4)
(26)
c~x, v 57755.89 z (.5)(6)(11)
:
(13)
c 3E+ .54957.7 933.66 z 4.81 o.58861m 0.00457 9.8 1.6028 c-+ b, v 10218.89 z (2J)(26)
27722.2 (4)* (10)
c-+a, v 27769.8 (26)
27817.1
B lE+ .54251.0 866.60 z 7.45n 0.57968 0.00560 [10.49] 1.6151 B~X, v .54282.46 z (5)(6)* (11)
(13)(26)
1750J.4
b JE+ i 44813.2° 786.37 z 7.64P o.5628omq o.00651r · 11.5 1.6391 b-+a, VR 17.5.50.9 ( 4 )( 2 3) ( 26)
17.598.2
i
(l)* (2) (J)
A ln 43949.2 803.94 z .s.99S b.5564otq 0.00,5J4U l0 • .56v 1.6485 A~X, VR 43949. ?Jc Z (4)* (.5)
(12)(2.5)
a Jn i 2724lw 827.8 z 0.004.5J [9.82] 1.6476 a-+X, 27254 (29)
r J.9 0.5570.3
x lE+ i 0 802.26 z 4.77 0.5.524798 o.oo49841x l0.464Y 1.654369 Microwave sp. z (18)(22)(24)

At.F (continued)s
jw y = -0. 017. Pwey e = -0.009.
k e e
re= -0. 000011. qinteractions between levels of A 1 n and b JE+ (26).
t.H l'l:l -1.lx lo-1 2 • r
e re= -0. 00002.
~agnetic hyperfine structure; very small spin splitting. sweye= -0.050. This state may have a potential maximum of
nw eY e = -0. 04 .S- rvO.J.5 eV; see e.g. (15).
0R e la ti ve energies of singlet and triplet states derived t.L\-type doubling b.vf = +O.OOOlOJ(J+l).
u e
from the analysis of spin-forbidden perturbations, see q• re= -0. 000043.
A.lF (continued)s
VH e~- 2 .OxlO -12 • (13) Naud6, Hugo, CJP ~' 64 {1957).
wA = +47 cm -l. (14) Witt, Barrow, TFS _i2, ?JO (1959).
x + 1. n 8 x l O- 5( v+-!) 2 + 4. x 1 O- 8 ( v+i) 3. From ( 24) ; (15) Barrow, TFS .2.Q., 952 (1960).
7
slightly different constants in (22). (16) Porter, JCP 1.J, 951 (1960).
Yf3 = -0.015 x io-7. (17) Barrow, Kopp, Scullman, PPS 82, 635 (1963).
z e
µe.t=l.5 3 D (18). For eqQ(A.t) see (22)(24)(27). (18) Lide, JCP 1§., 2027 (1963); 42, lOlJ (1965).
Additional constants derived from Zeeman effect (19) Ehlert, Blue, Green, Margrave, JCP 41, 2250 (1964).
measurements (gJ' mol. quadrupole moment, etc.) in (27). (20) Hildenbrand, Murad, JCP 44, 1524 (1966).
(1) Rochester, PR 22,, J05 (1939). (21) Murad, Hildenbrand, Main, JCP !t..2, 263 (1966·).
(2) Naude, Hugo, PR .2..Q, Jl8 (1953). (22) Hoeft, tovas, Tiemann, Torring, ZN £2 a, 1029 (1970).
(3) Naude, Hugo, CJP ..J.!, 1106 (1953). (2J) Kopp, Barrow, JP BJ, Lll8 (1970).
(4) Rowlinson, Barrow, PPS A 66, 4J7 (1953). (24) Wyse, Gordy, Pearson, JCP jg, J887 (1970).
(5) Rowlinson, Barrow, PPS A 66, 771 (1953). (25) Liszt, Smith, JQSRT 12, 947 (1972).
(6) Barrow, Rowlinson, PRS A 224, 134 (1954). (26) Barrow, Kopp, Malmberg, PS 10, 86 (1974); USIP Report
(7) Dodsworth, Barrow, PPS A 22., 94 (1954). 74-15 {March 1974).
(8) Gross, Hayman, Levi, TFS iQ, 477 (1954). (27) Honerjager, Tischer, ZN £2 a, )42 (1974).
(9) Naude,. Hugo, ·CJP Jg, 246 (1954).
(28) So, Richards, JP Bz, 1973 {1974) •.
(10) Dodsworth, Barrow, PPS A 68, 824 (1955). (29) Rosenwaks, Steele, Broida, CPL 1§., 121 (1976).
(11) Naud~, Hugo, CJP 1.J, 573 (1955).
(12) Barrow, Johns, Smith, TFS jg, 913 (1956).

23
 24
State T
e w
e w x
e e B
e ae De re Observed Transitions References
(10-4 cm-1 ) CX) De.sign. I voo

27
Al 1H ll = 0.97153602 O
Do < J.O 6 eV
a NOV 1975 A

c Jn b c-+a, (R)(J6950) (15)*

b Jr,r [6.759JC [4.J6] [1. 6022] b~a, 26217 z (5)(9)
a Jn ad [6.704] [4] [1. 6088]
1 r
E n [5.62o]e [10.0] 9 [1. 7571] E-+A, R 29512.2 z (7)(26)
E~X, R 52982.9 z (1J)(26)*
D lr,+ [6.56l [6.1] [1.626] n~x, VR 49288 z (J)(ll) (lJ)
(17)*
c lr,+ 44676 1575.Jg 125.5 6.664h 0.544 [5.5]i 1.6136 C-+A, v 21127.0 z (l)(lJ)*
c~x, Ry 44597.9 z (ll~(lJ)
(17 *
ln [1082.76] z k 6.J869jk.t
A 0.7J2J [6.2oo]m 1.648 A~X, Ry 2J470. 9J z (2)(4)(6)*
(8)(10)(1J)*
(14)(16)*
x lr,+ n 0 1682.56 z 29.09° 6.J907 o.1858P J.565q 1.6478 (20)(25)

27Al 2 H µ = 1.87419817 D0O< J.09 eV a NOV 1975

c Jn r (800) s s c-.. a, R J6959.2 H (15)*
a Jnr [1237.4] z J.545 0.096 1.1 1.5929
1 r
E n [2.995]t [2.95]t [l.7JJ 0] E+A, R 29546.o z (26)
E ...... X, R 53082.8 z (26)*
G lr,+ [J.40]u [1.626) G ... A, R 29517.9 z (26)
G-. X, R 53054.7 z (26)*
D lr,+ [J.45] [1.14] [1.615] D-+ X, v 49288 z (11)
c lr,+ 44686 11J4.2g 65.1 J.4J8 0.176 1.8 1.617 5 C-+ X, RV 446J4.4 z ( 11) ( 19)
A ln 2J65J 1014.6 z 86.ok J.2J5vk o.122w (l.67 ]X 1.667 A-+X, R 23536.8 z (6)* (1.3)*
x lr,+ 0 1211.95 z 15.14y J.Jl86 0.0697Z [0.97 1 l.646J
 1 2
At H, At H1

aFrom the predissociation in A 1 n (10)(12). The most vA-type doubling, t:ivef= +0.0020J(J+l).
recent theoretical calculations for A.lJH (-28) recom- wr = -0.052·
mend J.05 eV. D1 =2.2 1 xl0 -4 , D2 = 6 .9 6 xlO -4 •
Xe

bv=O perturbed. y UI e y e = +0 • 098.

cPerturbation at N=l9, predissociation at N > 25. z te = +o. 00055.
d(22) estimate a~ 12000 cm- 1 • A= +40.2. (1) Bengtsson, Hulthen, ZP jg_, 275 (1929).
eConstants for the f component. Large A-type doubling, (2) Farkas, ZP lQ, 733 (1931).
t:iv positive; J.W. c.Johns[see (26)] reports a new 1 L:+ (3) Bengtsson-Knave, NARSSU ~' No. 4 (1932).
fe 1 6
state just above E Il. Predissociation for J > 12 (7) (2 ) • (4) Farkas, Levy, ZP 84, 195 (1933).
f Perturbed at J=5, predissociated for J > 10. (5) Holst, ZP 86, 338 (1933).
gFrom l::iG(i) of the hydride and deuteride. (6) Holst, Hulthen, ZP .2.Q, 712 (19J4).
hPerturbations. (7) Holst, ZP .2.Q, 728 (1934).
i -4
.Dl = 10 x 10 • (8) Holst, ZP .2.Q, 735 (1934) •
JA-type doubling, t:ivef(v=O) = +0.0097 J(J+l) - ••• • (9) Challacombe, Almy, PR j!, 930 (1937).
kPredissociation by rotation in v=O,l (A.t 1H) and v=0,1,2 (10) Olsson, Dissertation (Stockholm, 1938).
(A.t 2H); this state has a potential maximum (12) of (11) Grabe, Hulth~n, ZP 114, 470 (1939).
rv0.15 eV (18) •
(12) Herzberg, Mundie, JCP ~' 263 (194'0).
.lzeeman effect (21).
(lJ) Nilsson, Dissertation (Stockholm, 1948); AMAF A Jj,
mD 1 =11. 20 x io-4 ; also higher order constants ( 16).
No. 19 (1948).
nFor theoretical calculations concerning the ground state
(14) Kleman, Lagercrantz, Uhler, AF£, 359 (1950).
of A.tH see (2J)(24)(27)(28).
0
(15) Kleman, AF Q, 407 (1953); Dissertation (Stockholm,
weye= +0.2J9. (16) Zeeman, Ritter, CJP J,g, 555 (1954)- I 1953).
Pae= +0.00161· 4 (17) Khan, PPS 1.!, 65 (1958).
q/3e = -0. 047 x 10- • (18) Hurley, PRS A 261, 237 (1961).
ro <A< 12.
(19) Khan, PPS 1.J.., 745 (1962).
sv=O perturbed. v=l (B 1 = 2.9J8, D1 =3x10-5) predissociated (20) Loginov, OS(Engl. Transl.) 16, 220 (1964).
at N~l6 and perturbed in Jn 0 • (21) Klynning, Neuhaus, AF 28, 249 (1965).
tConstants for the f component. The e component interacts (22) Grimaldi, Lecourt, Lefebvre-Brion, Moser, JMS 20, 341
with G l:E+.
(23) Cade, Huo, JCP !fl, 649 (1967). r (1966) •
uApproximate deperturbed value; interaction with the e com-
ponent of E 1 n. (continued p. 27)

25
 26
State T
e w
e
w x
e e
B
e
()(
e De re Observed Transitions References
(lo-5 cm- 1 ) (i) Design. J voo
27
Al1H+ DEC 1975
A 211 (27686)a (1770) 6.851b 0.248 41 1.5914 A-1>X, v 27760.2 z (l)* (2)
r (27593) 27667.8 z
x 2I:+ 0 (1620) 6.763C 0.398 47 1.6018

21Al121r µ = 22.2507434 D00 = 3.7 7 eVa DEC 1975 A

A 111 Unstable; diffuse fluctuation bands with various v". A~X, 31487b (l)*

a fll
3 1
no
22089.5
21889.3
333.4
337.2
H
H
2.0
2.0
I
a~x,
v 22097.9
VR 21899.6
H
H
(l)*

x lI:+ 1.0 0.11769985 o.000558586c d Microwave sp. e ( 3)

0 316.1 H 2.537102
J
21Al14N µ = 9.21869147 DEC 1975

A 311.l. a L.o.5811]bc [0.139] [1.7739] A~X, v 19727.37 z (l)*

(x)311 1 d e [746.93] z o.573ob 0.0056 [0.136] 1.7864
At 1H, A.t 2H (continued)i
(24) Cade, Bader, Henneker, Keaveny, JCP ..2.Q, 5313
(1969).
(25) Huron, Physica 41, 58 (1969).
(26) Lagerqvist, Lundh, Neuhaus, PS 1, 261 (1970).
(27) Laws, Stevens, Lipscomb, JCP ~' 4269 (1971).
(28) Meyer, Rasmus, JCP .QJ, 2356 (1975).
A.t 1H+ 1 aA = +108.
b(2) finds breaking-off in P and Rat N=28 (v=O).
cSpin splitting constant r~+0.06.
(1) Almy, Watson, PR !±2_, 871 (1934).
(2) Holst, ZP .§2, 40 (1934).
A.tI1 aFrom the analysis of fluctuation bands (2).
bvertical transition from v"=O.
c + 1. 047 x 10-6 ( v+~) 2 - 2. 46 x 10-9 ( v+i) .3.
7
dDv = [6.521 2 -o.0095 (v+i)]xl0- 8 1 H =-4.59ox10- 1 5.
e 7 e
Values of eqQv (v=O ••• J) in (4).
(1) Miescher, HPA ~' 279 (1935): 2, 693 (19.36).
(2) Barrow, TFS 22,, 952 (1960).
{J) Wyse, Gordy, JCP 22,, 21JO (1972).
(4) Tarring, Tiemann, Hoeft, ZN 28 a, 1062 (197J).
Ai.Ni a
A 0 = -23. 0 •
bAll lines in the .3n 2 - 3n 2 and high J lines in the .3n - 3n
0 0
subbands are broad ("'0.15 cm- 1 ), probably on account of
unresolved nuclear hyperfine structure.
cPredissociation near J=48.
dNot certain that this is the ground state.
e
Ao= -JJ.o, A1 = -J4 • 5•
(1) Simmons, McDonald, JMS 41, 584 (1972).
27
 28
State Te w
e w x
e e Be ae De re Observed Transitions References
(l0-6cm-l) <R> Design. l voo

21Al'60 µ = 10.04195071 ng = 5.27 ! o.o4 eva I.P. = 9.5 3 e~

b DEC 1975 A
Additional states and transitions predicted by (4J).
F 2r;+ [ 47677.J] [0.5088] [2.15] [1.8164] F~A, R4184J.52 z (44)*
41972.36 z
E 2t:.. c 45562d
(503) t0.495lj [1.9] [1.8444] E.(:--+ A, R 39979.81 z (4)(25)(28)*
l. 45431 o.4919 39977.17 z (Jl)*
D 2r;+ c 40266.7 819.6 z 5.8 o.5652e o.oo46f 1.10 1.7234 (D~B),g R (19552) (JO)
D<E:--? A, v J4841.23 z (4)(25) {28)*
)4970.09 z
(23)* (25)
D~X, R 40187.2 z (Jl)( J2)*
(39) (40) (45)
c 2n r c JJ153 h i (12457) (10)(18)*
JJ079 856 H 6 (C~B), Ry (12383)
(4)(10)*
c~x, R 33092 (12)(25)
33018 (26)* (29)
(1)(2)* (3)*
(6)* (7)* (9)
(11)(14)(15)
B 2r;+ j 20688.95 870.05 z 3.52 0.60408k 0.00447 1.16 1.6670 B.t~X, R 20635. 22 z (16)(17)*
(21)* (24)
(25)(30)(31)*
0
{JJ) (36)(37)
A 2n.l. j 5470.6m 728.5 H 4.15 to.5374r [1.1] [l. 7708] A~X,P R 5346 (33) ( 51)
5341.7 0.5333 ° 5217
x 2r;+ j 0 979.23 z 6.97 o.6413 qr
6 0.00580 l.08s 1.6179 IRt and ESRU sp.

A!Os aLower limit from the laser fluorescence study of A.to reviewed in {49).
formed in the reaction At+ o2 ( 49), upper limit from the bElectron impact appearance potential (13)(22)(42).
re-interpretation {28)(41) of the long-wavelength limit cTheoretical calculations concerning these states in (43).
of an absorption continuum (25). Good agreement with the dAo = -64.8.
0
most recent mass-spectrometric results (34)(42); slightly spin splitting constantr=+o.0060 (50).
lower value by flame photometry (48). Further references f
oe = -0.00005.
A.W (continued) 1
gUncertain observation. See also (4J).
hRotational constants in (10) are unreliable; see (29).
Perturbations.
iuncertain identification (18). See also (4J).
jTheoretical calculations concerning these states (46)(47).
kspin splitting constant r= -0.0074 (50), disagreeing with
+0.020 in (6)(10).
.£.Radiative lifetime 7: = 102 ns (49), 127 ns (J5). The cor-
responding B- X oscillator strengths, f 00 = o. 027 and o. 021,
resp., are compared in (49) with additional experimental
and theoretical (J8)(46) results. Relative b. strengths (27).
mAo= -127.8.
nA-type doubling twfe = -0.0128(J+!).
0
slightly different constants in (44).
PTheoretical oscillator strengths in (46).
qSpin splitting constant do=+0.0050 (50), smaller than
earlier values (6)(10) and in better agreement with ESR
(JJ) and theoretical (50) results.
rPerturbations (5)(9) by A 2n.1 (28).
sf.>e= +0.02x lo- 6
tAbsorption f-number for the IR fundamental band 0.000033
(52). Theoretical values in (46)(47)(52).
uin rare gas matrices at 4 K (JJ).
(1) Pomeroy, PR~' 59 (1927).
(2) Sen, IJP 11, 251 (19J7).
(J) Roy, IJP 1], 2Jl (1939).
(4) Coheur, Rosen, BSRSL 10, 405 (1941).
(5) Rosen, PR 68, 124 (1945).
(6) Lagerqvist, Nilsson, Barrow, PPS A .£2., J56 (1956);·
AF 12, 54J (1957).
(7) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
(8) Gurvich, Veits, IANSF 22, 673 (1958). For engl. transl.
see BASPS 22, 670 (1958).
(9) Shimauchi, SL 1, 101 (1958).
(10) Goodlett, Innes, Nature 1.§J, 243 (1959).
(11) Loginov, OS(Engl. Transl.).£, 67 (1959) 1 16, 220 (1964).
(12) Becart, Declerck, CR £21, 2153 (1960).
(13) Drowart, De Maria, Burns, Inghram, JCP ..:g, 1366 (1960) •
(14) Nicholls, JRNBS A 66, 227 (1962).
(15) Tawde, Korwar, PPS 80, 794 (1962).
(16) Becart, Mahieu, CR .£22., 5533 (1963); JP(Paris) ~' 87J
(1964).
(17) Edse, Rao, Strauss, Mickelson, JOSA jJ, 436 (1963).
(18) Tyte, Nature 202, J8J (1964).
(19) Hebert, Tyte, PPS.§], 629 (1964).
(20) Tyte, H~bert, PPS 84, 830 (1964).
(21) Tyte, Nicholls, IAMS 1 (1964).
(22) Burns, JCP 44, JJ07 (1966).
(2J) Krishnamachari, Narasimham, Singh, CJP 44, 251J (1966).
(24) Sharma, JQSRT 1, 28), 289 (1967).
(25) Tyte, PPS .,2.g, 11)4 (1967).
(26) Mahieu, Becart, esp l:J., 95 (1968).
(27) Linton, Nicholls, JQSRT 2, 1 (1969).
(28) McDonald, Innes, JMS jg_, 501 (1969).
(29) McDonald, Innes, Goodlett, Tolbert, JMS jg_, 511 (1969).
(JO) Prasad, Narayan, IJPAP 1, 41J (1969).
(31) Singh, Narasimham, JP B £, 119 (1969).
(J2) Singh, PIAS A 11, 82 (1970).
(JJ) Knight, Weltner, JCP .22, 5066 (1971).
(34) Farber, Srivastava, Uy, JCS FT I 68, 249 (1972).
(J5) Johnson, Capelle, Broida, JCP ..2§, 663 (1972).
(continued p.Jl)
29
 30
State T
e
w
e w x
e e B
e
(X
De re Observed Transitions References
e
(lo-7cm- 1 ) {i) Design. l voo

21Al31p µ = 14.4200754 DO
0
= 2.2 0 eVa DEC 1975

2..7Al(32J5 {µ = 14.6327889) D0
0 = 3.84 eva DEC 1975
c 2L:+ (35797) [430.0] H (14) 0.2402b 0.0036 3.1 2.190 c~x, R 35714.9 ( 2)
I I I
B ( 2rr) (30104)
[530] Strong perturbations. B-E- X, R
30061 H
( 2) ( 4)
(29986) 29943 H
2L:+ 23433.80 z 1.45 o.2461cd 0.0012 2.1 2.164 A~X, 23381.16 z (l)* ( 2) ( 4)
A 510.91 R
(6)*
x 2L:+ 0 617.12 z 3.33 0.2799 8
0.0018 2.2 2.029

21A1cso>se {µ = 20.1712814) 0
Do = 3.4 6 eVa DEC 1975
A ( 2L:) 23183.5 J89.8 H 1.23 A+-+X, R 23144.8 H (2)
x (21:)

21A1c2slSi
0 467.6 }I 2.08
J
0
I l
(µ = 13 .• 7351103} DO = 2.J 4 ·eVa Di:C 1975

21A1(13o>re (µ = 22.3412584) DO
0
= 2.7 eV a DEC 1975
3
A!O (continued)1
(36) Gole, Zare, JCP .5J..., 5JJ1 (1972).
(37) Liszt, Smith, JQSRT 12, 947 (1972).
(JS) Michels, JCP ~' 665 (1972).
(J9) Singh, JQSRT 12, 1343 (1972).
(40) Tawde, Tulasigeri, JP B j, 1681 (1972).
(41) Drowart, private communication (1973).
(42) Hildenbrand, CPL 20, 127 (1973).
(43) Schamps, CP ~' J52 (1973).
(44) Singh, JP B Q, 521 (197)).
(45) Singh, Saksena, PIASA 1.J.., 139 (1973).
(46) Yoshimine, McLean, Liu, JCP 2§., 4412 (1973).
(47) Das, Janis, Wahl, JCP 61, 1274 (1974).
(48) Frank, Krauss, ZN £2. a, 742 (1974).
(49) Dagdigian, Cruse, Zare, JCP 62, 1824 (1975).
(50) Mahieu, Jacquinot, Schamps, Hall, JP B ~' JOB
(1975).
(51) Rosenwaks, Steele, Broida, JCP Q], 1963 (1975).
(52) Sulzmann, JQSRT 1..2, 313 (1975).
AtP1 aThermochemical value (mass-spectrom.)(l).
(1) De Maria, Gingerich, Malaspina, Piacente, JCP 44,
2531 ( 1966).
AtS1 ~hermochemical value (mass-spectrom.)(3)(5).
bPredissociation for v~ 2.
cSpin splitting constant to~ -0.0055 (6).
ALS (continued)a
dSmall perturbations (4)(6).
eSpin splitting constant fo~+0.0045 (6).
(1) McKinney, Innes, JMS J, 235 (1959).
(2) Mal'tsev, Shevelkov, Krupnikov, OS(Engl. Transl.)
Suppl. No. 2, 4 (1966).
(J) Ficalora, Hastie, Margrave, JPC .zg, 1660 (1968).
(4) Kronekvist, Lagerqvist, AF .J.2., 133 (1969).
(5) Uy, Drowart, TFS .£2, 1293 (1971).
(6) Lavendy, Mahieu, Becart, CJS 18, lJ (1973)1 Lavendy,
, Jacquinot, CJS 20, 141 (1975).
A1Se1 aThermochemical value (mass-spectrom.)(l)(J).
(1) See ref. (3) of ALS.
(2) Singh, Tewari, Mohan, JP B ~' 627 (1969); IJPAP 10,
386 (1972).
(J) See ref. (5) of ALS.
A!Sis aThermochemical value (mass-spectrom.)(l).
(1) Stearns, Kohl, HTS j, llJ (197J).
A!Te1 aThermochemical value (mass-spectrom.)(1)(2).
(1) See ref. (3) of Ats.
(2) See ref. (5) of AlS.
31
 32
State w Observed Transitions References
e
Design. l v 00

µ = 19.9811921 ng = O. 01051 eVa DEC 1975 A

Unclassified, mostly diffuse absorption bands in the regions 88100 - 90100, 106600 - 108200,
(8)(13)
11)000 - 11)900, 114900 - 127200 cm-1.
Fragments of a system of very diffuse absorption bands. (117666)b (13)
H [128.4]bc H Long upper state progressions. H<- X, v 112033· 9bc H (13)
[170.5]bc H G<- X, v 110930. 9bc H
G
F
E
(O+)
u
[1J4.2]b
[17o]b
H
H
I
All bands appear diffuse.
F+-X, v l08492.2b H
E(-X, v l0733ob H
(13)*
( 1.3)
(1.3)
D [18J.2]b H All bands appear diffuse. D+- X, v 106029.5b H ( 1.3)
c (O+) 95033.0
u 67.0 H 4.0Jd C+- X, v 95050.7 H (13)*
1
B ( E+) o+ [136.49]e z [o.1057]e [7]e [2.a2 ]e B+- X, v 93241. 26e Z (13)* (24)
u u 5
A (3E+) [133.7]b f A+--+X, v 92393. 3b H
u lu H (1.3)*
Emission continuum longward of 1067 ~ (93750 cm- 1 )1 maxima near
93000 and 79000 cm-1, the former exhibiting oscillatory structure
(2)(10)(23) extending to 67000 cm-1 (21). The emission originates (l)* (J)*
A,B-+X (5)(6)
from the lowest excited states [see (12)] and at 79000 cm-1 is
characterized by radiative lifetimes of J.2µs (lu?) and 4.2 0 ns (O~?)
(20); see also (22).
Additional continua at 65000, 53000, 47000 cm- 1 (1)(4)(7)(9), and
diffuse emission bands in the region 87000 - 89000 cm-1 (1) (2).
x 0 [25.74] z g
l o. 05975 l
o. 00375h [11. J]i l J. 758 (18)(24)

µ = 19.9810550 DEC 1975 A

Theoretical calculatiTs, applied to scattering data (4)(4b)(4c)(5).
0 J J 2.43 (thet°r.)
Ar 2 1 aCalculated by (24) from spectroscopic data for the five
lowest vibrational levels in X 1 ~; and using information
from long-range forces and from the second virial coef-
ficient. De = 99.55 cm- 1 ; compare with earlier results
by (11)(14)(15)(16)(17)(19).
bLowest observed level and interval; vibrational numbering
unknown.
cThe vibrational levels assigned to G and H may be-
long to a single state with we~ 176, wexe 1:$ 2.85.
dThis state correlates with 4s' [.fl 1 + 1s.
eConstants for the lowest of four rotationally analyzed
levels (24); vibrational numbering unknown, (21) estimate
v=22. This state correlates with 4s[~J 1 + 1 s and may have
a potential hump of N70 cm-l (13).
t]
fRapid convergence to the limit 4s[ 2 + 1s.
g~G(f, ••• ,~) = 20.41, 15.60, 10.91, 6.78. G(O)
ho: = - 0.000313.
i.De , ••• , D ( 10 -7 cm -l) = 1 6 • 6 , 2 O, 3 3, 52 , 200 •
1 5
JRaman spectrum (15a)(2la)(22a).
(1) Tanaka, JOSA .i5_, 710 (1955).
(2) Tanaka, Jursa, LeBlanc, JOSA 48, 304 (1958).
(3) Tanaka, Huffman, Larrabee, JQSRT ~' 451 (1962).
(4) Strickler, Arakawa, JCP 41, 1783 (1964).
(5) Huffman, Larrabee, Tanaka, AO~' 1581 (1965).
(6) Wilkinson, CJP .i5_, 1715 (1967).
(7) Verkhovtseva, Fogel, Osyka, OS(Engl. Transl.) £2,
238 (1968).
(8) Wilkinson, CJP 46, Jl5 (1968).
(9) Hurst, Bortner, Strickler, PR 1.Z§., 4 (1969).
(10) Michaelson, Smith, CPL~' 1 (1970).
(11) Cavallini, Gallinaro, Meneghetti, Scoles, Valbusa,
CPL 1, J03 (1970).
(12) Mulliken, JCP .2,g, 5170 (1970).
Ar 2 (continued)a
(13) Tanaka, Yoshino, JCP .2J., 2012 (1970).
(14) Barker, Fisher, Watts, MP 21, 657 (1971).
(15) Maitland, Smith, MP 22, 861 (1971).
(15a)Morgan, Frommhold, PRL E,2, 1053 (1972).
(16) Parson, Siska, Lee, JCP ...2.£, 1511 (1972).
(17) Le Roy, JCP 2J.., 573 (1972).
(18) Docken, Schafer, JMS 46, 454 (197J).
(19) Present, JCP ..2§., 2659 (1973).
(20) Keto, Gleason, Walters, PRL JJ, 1365 (1974).
(21) Michaelson, Smith, JCP 61, 2566 ( 1974).
(2la)Frommhold, JCP 61, 2996 (1974); .£], 1687 (1975).
(22) Oka, Rao, Redpath, Firestone, JCP 61, 4740 (1974).
(22a)Frommhold, Bain, JCP .£], 1700 (1975).
(23) Verkhovtseva, Yaremenko, Fogel, Ovechkin, Katrunova,
14.80. OS(Engl. Transl.) JJ!, 98 (1975).
(24) Colbourn, Douglas, JCP .§2, 1741 (1976).
~ifference between the ionization potential of Ar and
the appearance potential of Ar +, the latter obtained
2
as the longest-wavelength absorption line of Ar which
produces photoionization (2). Similar results by elec-
tron impact; see ref. in (2)(J). Ar+-on-Ar scattering
data indicate De= 1.30 eV (4a)(4b), consistent with
theoretical (4) and semiempirical (3) calculations.
(1) Aberth, Lorents, PR 144, 109 (1966).
(2) Huffman, Katayama, JCP !±2, 138 (1966).
(J) See ref. (12) of Ar 2 •
(4) Gilbert, Wahl, JCP jj, 5247 (1971).
(4a)Lorents, Olson, Conklin, CPL 20, 589 (1973).
(4b)Mittmann, Weise, ZN E_2 a, 400 (1974).
(4c)Jones, Conklin, Lorents, Olson, PR A 10, 102 (1974).
(5) Sidis, Barat, Dhuicq, JP B ~' 474 (1975).
33
 34
State w wx Observed Transitions References
e e e
(~) Design. I v 00

JAN 1976
Continuous emission with strongest peak near 57250 cm- 1 and additional maxima of decreasing
intensity at higher energies; from chemiluminescent reactions (1)(2). Estimated constants
for the strongly bound upper state 1 T ~ 56800, w ~ 230 cm- 1 , D [Ar( 3p ) - C.l J ~ 4.51 eV. ( 2)
2
Additional weaker emission at longer wavelengths (2).
J
µ = 12.8767196 T JAN 1976 A
Continuous emission with strongest peak near 52550 cm- 1 and additional peaks of decreasing
intensity at higher energies; from chemiluminescent reactions (2). Estimated constants for
the strongly bound upper states T ~ 54300, w ~ 280 cm-1, D [Ar(3P 2 ) - F] ~ 4-.81 ev. (2)
Additional weaker emission in the region 35700 - 50000 cm-l (2).

40Arl9F+ 00 °~ 1.67 eVa JAN 1976

40
Ar 1H µ = 0.98303375 JAN 1976 A
B 2rr
24(+)
a
I [10.129]b I
[5. 03] [1. 3012] IB_,.A,c R 13024-.5 z (l)*
A [10.2oo]d [5.31] [1. 2966]
For a theoretical calculation of the ground state potential (De = 0.004-2 eV, r 9 = 3.57 ~)
and a comparison with experimental scattering data see (2).
.l. -1. ..1

40Ar2H µ = 1. 91746222 JAN 1976

2Il a
B (1990) 5.3262b 0.1310 1.500° 1.2848 B_,,.A/ Ry 1.3040. 38 z (l)*
A 24(+) (2057) 5.3402gd 0.1399 [1.44o]h 1.28.31
I
 State Te w
e wexe Be ae De re Observed Transitions References
(10- cm- 1 ) CR) Design.
l voo
40
Ar 1H+ n 0°~ 2.65 eVa JAN 1976
x lE+ 0
l 1 J l.28b

ArCt1 (1) Golde, Thrush, CPL .£2., 486 (1974). Ar 1H, Ar 2H (continued)1
(2) Golde, JMS ..:?.§., 261 (1975).
(1) Johns, JMS J.Q., 488 (1970).
ArF, ArF+ 1 (2) Wagner, Das, Wahl, JCP 60, 1885 (1974).

aFrom the observed exothermicity of the reaction
F 2 + + Ar = ArF + + F ( 1 ) •
(1) Berkowitz, Chupka, CPL 1, 447 (1970).
(2) See ref. (2) of ArCt.
Ar1H, Ar 2Hs
aAo= (-)2.0; see (l).
bA-type doubling; see (l). Small perturbations are
evident in the hydride spectrum.
c0-0 band only; diffuse lines.
dv=O of Ar1H, and v > O of Ar 2H, are predissociated,
probably by interaction with the unstable X 2 E+
ground state; see (1).
eFrom Q branches; He= +l.J4 x lo- 9 •
fo-o sequence only. Lines are sharp in the 0-0 band,
but become more diffuse as v increases.
gs pin splitting 6v 12 = ( + )[ o. 0369 (N+!) - ••• ].
11> 1 = 1.426 x lo-4 ; H0 = +o. 96 x lo-9.
Ar 1H+, ~rom the observed exothermicity of the reaction
H2++Ar = ArH++H (1). A higher limit, n 0°~ J.40 eV, is
suggested by a tentative interpretation (1) of chemi-
ionization processes. H+-on-Ar scattering data [(J)(5),
and ref. therein] give De=4.17 eV, in reasonable agree-
ment with theoretical calculations (2)(4).
bFrom proton-argon scattering data [.(J)(5), and ref.
therein]. Slightly larger values from theoretical
calculations (2)(4).
(1) Chupka, Russell, JCP ~' 5426 (1968).
(2) Roach, Kuntz, CC (1970), p. 1336.
(J) Klingbeil, JCP 21., 1066 (1972).
(4) Sidis, JP B j, 1517 (1972).
(5) Weise, BBPC J..1., 578 (197J).

35
 36
State w we x e t::re Observed Transitions References
e
Design. 1 v 00

(µ = 27.0703037) JAN 1976 A

Four V shaded absorption bands in the region 941J8- 94202 cm-1 • (1)
Two groups of diffuse absorption bands, 91108 - 91209 and 92296 - 92413 cm-1 • (1)
Two groups of very diffuse bands extending from the Kr resonance lines at 80918 and 85847
(1)
to 81200 and 86100 cm-1 , resp.; in emission and absorption.
Continuous emission at 74000 cm- 1 , tentatively attributed to ArKr. (2)
0 a

JAN 1976
Large number of R shaded emission bands in the region 15500-16500 cm- 1 1 no analysis. The
upper and the lower state of the system are believed to arise from Ar+( 2 P!)+Kr( 1s) and (1)
Ar( 1s)+Kr+( 2P1 ), respectively. Additional systems expected in the near IR.

µ ~ 11.42290547. 1 JAN 1976 A

Unclassified emission bands associated with the 1s 0 - 1n2 transition of oxygen at 17924 cm- 1 • (2)

Continuous emission with long-wavelength peak at 67000 and extending to above 71000 cm- 1 ; in (4)
chemiluminescent reactions. The strongly bound upper state from Ar(3P 2 )+o(Jp) is estimated
to have D0 ~ 3.2 eV. For the ground state preliminary scattering data (3) indicate re~
J.Jl Rand De~ 0.0101 ev.

(µ = J0.6703362) JAN 1976 A

Estimated constants by non-spectroscopic methods• De~ 0.0155 eV, re~ 4.1 R. For references
0 { see Table III of (1). Translational spectrum (2). l 5
 State Te w
e wexe Be a'e De re Observed Transitions References
(10- cm- 1 ) (i) Design.
l voo
40Ar<•31>xe + JAN 1976
Large number of emission bands in the regions (A) )02)0 - )1180 cm -1 , Rv (1)
(B) 28840 - 29930 cm-1 , Ry (1)
(C) 28 570 - 28840 cm -1 , v (1)
{D) 19730 - 19760 cm-1 , v (1)
(E) 18)00 - 18500 cm -1 , VR (1)
No analyses. The five systems correspond to transitions between
upper and lower states arising from Ar+( 2P.f,i) + Xe( 1s) and Ar( 1s) +Xe +( 2Phi), respectively.

ArKra aA large number of non-spectroscopic determinations
give Deo values in the range 0.0122 - 0.0156 eV and re
values centred at 3.9 R. See (J), and Table XIII of
(1).
( 1) Tanaka, Yoshino, Freeman, JCP ..2.2, .5160 (197J).
(2) Verkhovtseva, ovechkin, Fogel, CPL JQ, 120 (1975).
(3) Gough, Matthews, Smith, Maitland, MP £2., 1759
(1975).
ArKr+1 (1) Tanaka, Yoshino, Freeman, JCP 62, 4484 (1975).
Ar01 (1) Herman, Weniger, Herman, PR 82, 751 (1951).
(2) Cooper, Lichtenstein, PR 1.Q2, 2026 (1958).
( J) Aquilanti, Liuti, Vecchio-Cattivi, Volpi, FDCS jj,
187 (1973).
(4) Golde, Thrush, CPL £2., 486 (1974).
ArXe1 (1) Kim, Gordon, JCP 61, 1 (1974).
(2) Marteau, Granier, Vu, Vodar, CR B £2..:i, 685 (1967).
ArXe+1 (1) See ref. (1) of ArKr+.

37
 38
State Te w
e wx
e e Be ae De re Observed Transitions References
(lo- 8cm- 1 ) (.R) Design. 1 voo

7sAs2 µ = 37.4608002 D00 = 3.96 eVa JAN 1976

N (72137) [319] N~ X, 72082 (8)
M (69607) [365] Mor.- X, 69575 (8)
J"" X, 66133 (8)
J 66015
I~ X, 65432 (8)
I 65308
H (61726) [364] H H~X,b R 61694 H (8)
Unclassified absorption bands in the region 47000 - 55000 cm- 1 • (9)
G (54586) [377]c H G"°" X, d R 54.560 H (8)(9)
F (.52221) [386] H I I [ F"-:- X, e R .52200 H (8)(9)
Fragments of other electronic states in the region 42400 - 44500 cm -1 • (11)
b c3n u ) Only v=O observed. b+X, R 42006 (2)(J)(4)
B lE+u (40925) [243.6Jf z [o.0712]f [2.5] B~X, R 40832.2 z (1)(2)(4)*
( 6 )( 7) ( 10)
A lI:+u (40349) [260.3]gh z [o.07202]gh [2 • .50] A~X, R 4026.5.0 z (1)(2)(4)*
(6)(7)(9)
(10) (11) (12)
d+c, i 1618_5.6
v 16)48.4 H (4)* (5)* (6)
d ( 3ng) lg )0818.8 )36.7 H l.36 0.09222 0.00033 2.2090 H
d-+X, R 30772.4 H (5)* (6)
a (3E-) O+ 24641.2 337.0 H 0.83 0.08664 0.00030 2.2790 (a~c),j v (10100) (5)*
u u
a+x,k R 24.59.5.0 H (4)* (6)
e 19914.7 330.0 H 0.90 e~x, R 19865.01. H (6)
0.08491 0.00035 2.3021
3E+ {O~
14644.4
c 314.3 H 1.17
u lu 14481.6 o.o847lm O.OOOJ5 2.3036 c(lu) -.x, R 14424.o (6)
x lE+ 0 429 • .55 H l.117n 0.10179 O.OOOJ3J 0
2.1026
g
8From the predissociation limit in A 1 t~ assuming disso- (1) Gibson, MacFarlane, PR 46, 1059 (1934).
ciation into 4s + 2n
without kinetic energy (4). Extra- (2) Almy, Kinzer, PR~' 721 (1935).
polation of the ground state viprational levels (ob- (3) Almy, JPC 41, 47 (193?).
served to v=?O, i. e. 80% of ni)
gives 3.93 eV (J)(4). (4) Kinzer, Almy, PR jg, 814 (1937).
bsystem G+- X of (8). (5) Mrozowski, Santaram, JOSA 2J., 522 (1967).
cBands with v • ~ J are diffuse. (6) Perdigon, D'Incan, CJP 48, 1140 (1970).
dsystem E'"' X of (8). (7) Perdigon, Martin, D'Incan, JMS J§., J41 (1970).
eSystem f+-X of (8). (8) Donovan, Strachan, TFS §1, J40? (1971).
f Additional AG( v+i) and Bv values {v !!!:. 7) in ( 10). Strong (9) Topouzkhanian, Sibai, SA A 28, 2197 (1972).
perturbations. (10) Martin, Perdigon, D'Incan, JMS 2.Q, 45 (1974).
gAdditional AG {v+i) and Bv values ( v ~ 17) in ( 10)(11)( 12). (11) Sibai, Perdigon, Topouzkhanian, ZN £2 a, 429 (1974}.
Strong perturbations produced by interaction with the B (12) Martin, Piguet, Perdigon, JMS 2J., 319 (1975).
and, possibly, other states.
hin emission no bands with v• :!:: 10 are observed except
those with v• = 14 (2). In absorption bands with v•
i.!: 10 are observed (9) (11) but the lines in them are broad
except those with v• = 14 which are sharp. The line width
varies greatly as a function of J in bands with v• ~ 10.
There is clearly a predissociation limit at 42700 ! 100
cm-1 •
1originally (4) attributed to As +. Recognized as being
2
due to neutral As 2 by (5). The lower states are the two
.case "c" components of c JI:: (6).
Jstrong system in the infrared (5), not analysed in detail.
ksystem D-+X of (4).
t19a55 in (6) appears to be erroneous.
m.0.-type doubling, Avfe = (-)0.00018 x J(J+l).
=
nw 8 ye + 0.000139, w8 z 8 = - 0.00001958.
ore = - 2.8 x 10-7.

39
 40
State w x
e e Observed Transitions References
Design. l
JAN 1976
The spectrum tentatively assigned ~o As 2+ in (1) has been shown to be due to the d-+c
transition of the neutral molecules see 1 of As 2 •
The authors of (2) have described two additional systems,
lJ?Ol.6 2 2
v = 1J40J.4 + J65(v'+i) - J.95(v'+i) - Jl7(v"+i) + l. 68 ( v +-!) ,
11

12697.6 2 2
v = 12365.a + J65(v•+t) - J.95(v'+t) - J54(v"+i) + J.OO(v"+i) ,
obtained under the same conditions at which the d-+c bands of As 2 appear. Since they thought
the latter were due to As 2+ and since one of the new systems apparently has the same lower
state (c) they concluded that both new systems belong to As 2+. This conclusion is now very
doubtful.

7sAs 2 - I.P. = 0.1 0 °! 0.1 8 eV a JAN 1976

75As<19>sr (µ = J8.4J40245) JAN 1976

b (O+) 0-0 sequence only; w• - w" = 15.0 cm- 1 • b-+ X, v 12Jl6.9 H (l)*
x 0
l 1 l
7sAs<3s>c1 (µ = 23.8412199) JAN 1976
B 40826 [520] H B~ X, v 40865 H (1)
x 0 44J H 2
I I l
As 2+, (1) Herzberg, MOLSPEC Vol. 1 (1950).
(2) Rao, Lakshman, IJPAP ~' 259 (1966).

As 2-, ~lectron impact· mass-~pectrometry (1).

(1) Bennett, Margrave, Franklin, Hudson, JCP ,22·, 5814 (1973).

AsBr1 (1) de Bie-Pr~vot, These (Universit~ Libre de Bruxelles,

1974)

AsCt1 (1) Basco, Yee, CC (1967), p. 1255.

41
 42
State Te w
e w x
e e B
e t\'e De re Observed Transitions References
(lo-7cm- 1 ) Ci) Design. l voo

1sA 5 19F µ = 15.1553535 D00 = 4.2 eVa I. P. = 9. 4 e Va JAN 1976 A

d ln [o.3989]b [4.3] [1.6698] d-+ b, v 37032.07 z (3)(5)
d~a, v 43628.60 z (3)(5)*
d<t- x 1 , v 50686.4J z (6)
c (Jn) C-+-X, v 49758 H ( 6)
c ln 48672.5 817.JO z 4.39 o.4oo4cd 0.0027 4.o 1.6667 c~ b, v J508J.56 z (J) (5)* (6)
c~a, v 41680.09 z (J)* (5)*
c~x2, 48599e (6)
v
xl, 487J7. 92 z (6)*
B (Jn) (481J8) 815.5f H 3.96 Very complicated rotational structure. B~X, v 48202.2f H (6)*
CI ln J2479.5 399.J8 z l.34g o.2932h 0.0018 6.2 1.948 c' ~ b, R 18682.4 (7)*

r I I c' ~a, R 25278.88 z (7)*

Fragments of a system c' ~x 2 , R J2198 (7)
27152 412.28 z l.43i 0.2918 0.0020 A4 ~ X2' R 26877.0 z (10)*
A4
A3 Jn 1 26348 412.13 z l.44j o.292ok 0.0020
6 1.954 A3-+Xl' R 26211. 7 z (10)*
A r o+ 25751 (419.8) H (0.2914) (0.0018) A2-+X2' R 25480 (10)
2
A
1
0- 25719 412.21 z l.J2j 0.2904 0.0018 Al~ X2' R 25444.5 z (10)*
J,
l:E+ b~ X2' 13515.78 z (6)*
b 1)648.6 697.34 z J.08 0.3719 0.0028 4.7 1.7294
Xl' 13654.4 z (6)
a l~ 7053.5 694.44 z J.06 0.3707 0.0026 4.4 1. 7322
1J8.7 685.50 HQ 2.95 o.3691mn 0.0028
x2 3 -{ l 4.5 l.7J6om
x i: o+ 0 685.78 z 3.12 O.J648°n 0.0024
l
AsF1 8Theoretical calculations, for ng supported by limited (1) Pannetier, Deschamps, Guillaume, CR 261, J396
experimental data; see (8). The same paper gives theo- (1965).
retical values for the electron affinity (l.l eV) and (2) Pannetier, Deschamps, Guillaume, CR C ~' 710,
dipole moment (1.75 D) of AsF. (1967).
bPredissociated near J=30. (3) Yee, Liu, Jones, JMS J2, 153 (1970).
CA-type doubling, !:Nef ~ + o.00005x J(J+l). (4) Chatalic, Danon, Pannetier, CR C .f.7.1, 874 (1971).
dPredissociation in v=l at J~6o; v=2 observed in ab- (5) Liu, Yee, Jones, JMS .]§_, 512 (1971).
sorption only. (6) Liu, Jones, CJP 2.Q, 1230 (1972).
every weak band. (7) Chatalic, Danon, Iacocca, Pannetier, JCPPB lQ,
fThe vibrational analysis of (6) assigns v=O to the lowest 1600 (1973).
level observed in emission. However, the 1-0 and 0-0 bands (8) O'Hare, Batana, Wahl, JCP .22,, 6495 (197J).
may have been observed in absorption (4) at 49001 and (9) Veseth, JP B Q, 1473, 1484 (1973).
48192 cm- 1 [47192 in (4) seems to be a misprint] as mem- (10) Chatalic, Danon, Pannetier, JCPPB .z1, 243 (1974).
bers of a strong upper state progression which begins at
47381 cm-1 and may even include a diffuse band at 46570
cm-1 • No details.
gw e y e = - 0.015.
h./\-type doubling, !:N ef ~ + 0. 000015 x J ( J +l) •
~weye - 0.031.
J'"eYe = - 0.026.
ksmall A-type doubling.
!Long 0-0 sequence of V shaded Q heads; R, P branches un-
degraded.
mBe and r 8 from the f component; t::..vef = + O.OOJ5x J(J+l).
nFor a more detailed discussion of the X 3~-(o+, 1) fine
structure see (9).
0
Effective value.

43
 44
State w
e
wx
e e Observed Transitions References
Design. 1 v0 0

µ = 0.9944481? ng < J.6 eva FEB 1976

0 [1207.5]C Z [6.5623]df 0.886° [70.3] 30518. 34 z
A Jn.l. 1 b [6.4726]ef [62.4] [1.620J]g M- X, R 29821.97 Z (l)* (2)
2 [6.3387]f [55.4] 29282.16 z
(21JO) [7.199 8 Jh [32.9] [1.5J44 J

0
µ = 1.96137497 D
0
= 2.7 6 ev i FEB 1976
0 [933.6] z [3.3467]kf 0.264 [16.7] 30628.87 z
A Jn.l. 1 j [9J4.8] z [3.322o]tf 0.240 [16.1] [1.6095]g A'f-X, R 29932.48 Z (l)* (2)
2 [954.2] z [J.288l]f 0.227 [14.5] 29389.55 z
(1484) [J.6688]m [8.9 ]n [1.5306] (3)
7
75As ,.,.N µ = 11. 79799360 FEB 1976 A
A
1n 35999.7 (853.3Ja Z 8.24 H o.501 8bc 0.009 0.066 1.687 A~X, R 35899.6 Z (l)* (5)*
(6)
(ll::+) Single band. [0.5011] [0.083] [1.689] ( 1 E)-+X, R 29124.9 Z (J)*
0 1068.54 z 5.4ld 0.54551C 0.003366 0.053 1.61843
 1 2 AsNs aw = 871.J from band heads (1).
As H, As Hs
b e
aFrom the predissociation in A Jn. Strong perturbations.
bA 0 = - 615.4. Small J-dependence (2). cindependent rotational analyses by (2) and (4) gave
cAG(i) and ~ for the Jn 0+ component only. different B values. The values of (6) are based on
d.A.-type doubling, AV ef(v=O) = + 44. 72 + o. 0056 x J( J+l). plates with higher resolution and are adopted here.
d
e.A-type doubling, Avef(v=O) = + 0.0214xJ(J+l). 'JJeYe = + o.o4.
fLines are sharp for the Jn 0+ state only. Line width (1) Spinks, ZP 88, 511 (19)4).
increases in the order Jn 0+ < 3rr 0 - < Jn 1 < Jn 2 , and (2) D'Incan, Femelat, CR B 264, 1261 (1967).
also with increasing vibrational energy. The predis- (J) D'Incan, F6melat, CR B £§.1, 796 (1968).
sociation is due to interaction with the unstable 5~­ (4) Dixit, Krishnamurty, Narasimham, PIAS A 1.1, 2J
state arising from As( 4s) + H( 2s) (1). (1970).
gFrom the "true" B0 values in (2). (5) Jones, JMS Ji, J20 (1970).
~Spin splitting constants 1 0 = + 58.87, fo = - 0.281. (6) Femelat, Jones, JMS 1.2, J88 (1974).
1
From a short extrapolation (1) of the Jn state to the
limit As( 2D) + H( 2s).
jA 0 = - 616.9, small J-dependence (2); A1 = - 599. 8 •
kA-type doubling, Av ef(v=O) = + 4J. 39 + O. 00472 x J( J+l).
LA-type doubling, Avef(v=O) = + 0.0046 x J(J+l).
mSpin splitting constants Ao = + 58.811, fo = - 0.147 •
n H = + 5 x 10 -9 •
5
0
(1) Dixon, Lamberton, JMS £2, 12 (1968).
(2) Veseth, JP B j, 229 (1972).
(J) Lindgren, PS 12, 164 (1975).

45
 46
State T w w x
e e Be a-e eD re Observed Transitions References
e e
(lo-?cm-1 ) (i) Design. I voo

1sAs 16 0 µ = 1J.1809J446 °
n 0 t:. J.r.980 eVa FEB 1976

B 2E+ J9866.o 1098.J HQ 6.1 [0.51284]bc o.0036d [4.57] l.576Lr B~X, v 38905.88 z (1) (2)* (6)*
39931. J6 z (8)(14)
38686 655.7e 4.5J o.4164e 0.0040 37506e
c 26 5/2
3/2 ( J86J8) Only v=O observed. [0.4028] [14.1] 1. 765 C°' X, R
J848J (3)(15)(17)
C' 2~ or 26. (J8800) (6oo)f (O.J798)f (0.0058) (15)(17)
z (3)(6)(7)(8)
D 2I:- 37555.4 629.9g z J.79 0.3973gh 0.0034 6.5 1. 7942 D---tX, R 36361.
J7J87.l
7
z (11)(1J)(l5)
(17)
D' 2I:- [37857]i [o.36o]i (17)
j j
H 2n 1/2 H-+X, R (12)(17)
J/2 J705J.7 606.92 z 4.913 o.36539kt 0.00273 5.4 1.8709 35848.2 z
30485.28 z (l)* (2)*
A 2E+ 31652.45 686.68 z 10.78 o.46240mn 0.00710 8.56° 1.6631 A-+X, R (4) (6)* (8)
31510.87 z (14)
Fragments of additional systems of R shaded emission bands in the region 2.5000 - JOOOO cm- 1 • (5)(17)
l/2p 26485.2q
A' 2n.l. 3/2 26168.4 630.30
633.23
z
z
3. oo6r
2.895
I
o.37183ksp ·0.002701
o.37124k 0.002622 5.0 1.8553
I I
A'-+X, R 24976.59 z I
26317.30 z (6)(10)*
(11)(16)(17}
Fragments of a weak system of R shaded emission bands in the region 15300 - 17300 cm-1 •
x 2n J/2
r 1/2
1025.97t
0
965.90
967.08
z
z 4.850
I
,..909~ o.48552k
k
o.48482 w
o.00332ou
0.00J299V 4.9 l
1. 6236
l
(16)

7sAs'6o+ FEB 1976

A ln 42594.2 780.8 z 7.4 o.449la 0.0047 5.0 1.688 A-+X, R 42433.4 z (1)(2}(4)*
(5)
x l.E+ 0 [1091.J2] z 5.0 H o.5199a 0.0031 J.9 1.56~
AsOs 8From the predissociation in B 2 E+. AsO (continued) s
bSpin splitting constant 00 = +O. 004J. SA-type doubling Avfe= -0.002{J+!).
cweak predissociation above V=0,N=20 {2J for As 18 o) (6) t
Ae = +1026.94.
(8), attributed (6) to interaction with the unstable 6
4 ~'<"'+ s t a t e arising
..
uwey e = -0. 00341
v
te
= -4.6 x lo- •
6
from ground state atomic products
d . • weye= -0.0015; Y. = -2.5x 10-
Estimated from band head separations. w oe
e Deperturbed (15) constants. Strong perturbations by
A-type doubling Avfe= +0.0179(J+~).

successive levels in both doublet components of a 2 ~ (1) Connelly, PPS 46, 790 (19J4).
or 2 A state, and possibly by other states. (2) Jenkins, Strait, PR !±1., 1J6 {19J5).
fFrom perturbations in C 28 • Vibrational numbering (J) Lakshman, Rao, IJP .1!, 278 (1960).
512 (4) Klynning, Naturw. 1.2_, 252 (1962).
unknown.
(5) Venkataramanaiah, Lakshman, IJP ..:.2§., 209 (1964).
gv=O and 1, formerly (12) attributed to a 4 E state, are
(6) Callomon, Morgan, PPS 86, 1091 {1965).
perturbed by levels of a 2 E- state and of H 2 n~ a (17).
(7) d'Incan, Goure, CR 261, J086 (1965).
hTh e spin
. sp l•tt•
J. ·
ing constant rv increases
2
ro
from ' !=
r
. +0.021 to 7 = +0.039.
1
(8)
(9)
Meyer, JMS 18, 443 {1965) •
d'Incan, Goure, Zgainsky, CR B _gQJ, 1Jl9 (1966).
Lowest observed level, from a perturbation in D{v=O).
(10) Mrozowski, Santaram, JOSA 2§., 1174 (1966).
Vibrational numbering unknown.
(11) Goure, d'Incan, CR B 268, lJll (1969).
jBands of the t-i transition have not been identified.
One level of 2 n {vibrational numbering unknown) may (12) d'Incan, Goure, CR B 268, 1647 (1969).
1 (lJ) Topouzkhanian, Goure, Figuet, d'Incan, CR B _gz_Q, 1676
be responsible for a perturbation in D 2 E-(v=O).
kEffective constants. (14) Lakshman, Rao, JP B ~' 269 (1971). I (1970).
(15) Goure, Piguet, Massot, d'Incan, CJP j.Q, 1926 (1972).
!Perturbations in v=l,2 by v=O,l, resp., of D 2 E-.
~pin splitting constant t= -O.OJ5.
(16)
(17)
Kushawaha, Asthana, Pathak, JMS 41, 577 (1972).
Anderson, Callomon, JP B £, 1664 (1973).
nv=0,1,2 perturbed by V=9 ••• 12 of A' 2 ni. Additional
perturbations by unidentified levels of E and ll sym- AsO+a aDifferent constants in (J).
metry {6)(17).
(1) See ref. (J) of AsO.
0
{3e= +0.18x 10-7 s H = -2.6x lo-12 •
P e 2 (2) Lakshman, PPS .§.2, 774 (1966).
The levels v=9 ••• 12 of Ill have been observed in per-
(J) Shanker, Singh, Singh, CJP !±1., 1601 (1969).
turbations of A 2 E+{v=O,l,2) and were previously (6)
(4) Rao, Rao, JP BJ, 430 (1970).
assigned to a state G 2 n.
(5) See ref. (14) of AsO.
qAe = -Jl6.o8.
r weyes +0.010.

47
 48
State Te we wexe Be «e De re Observed Transitions References
(lo- 8 cm- 1 ) (i) Design. } voo
1sA 5 31p µ = 21. 9141220 FEB 1976
A ln )2417.05 475.52 z 2.12 o.1744a 0.0009 11 2.100 A-+X, R J2J52. 76 z (1)(2)*
x lt+ 0 604.02 z 1.98
l 0.1925 0.0008 7.8 1.999

7SAs31S µ = 22.40917)4 FEB 1976 A

Unclassified bands, most of them red-degraded, in the region 26000 - 31000 cm- 1 • (1)
b
A2 22n1/2 20474.9 [399.84] z 0.1487la 0.00073 8.1 2.2496 A2-+Xl' R 20392.13 z (4)*
Ai n
312
x+ 19263.28 405.58 z 1.11 0.14859 0.00069C a.ob Ai -x2' 1918J.22 z (2)* (J)*
(5)*
2 x 566.).3 z l.96d 0.18492 0.00083 7.9b
X2 2Il3/2 2.0174
Xl Ill/2 0 567.94 z 1.97 0.18476a 0.00082 7.8b

7sAs325+ FEB 1976

A ln 37359.7 441.18 z J.45 o.1732a 0.00123 10.0 2.084 A...,.X, R J7257.82 z (1)(2)*
x lt+ 0 644.25 z 2.09 0.1989 0.00089 5.7 1.9447

75As cso>se (µ = 38.669248 6 ) FEB 1976

A ( 2II) A-+'X, R 18717

18044
H
H
(1)
x c2n) 0 281 H 0.5
AsPs aSmall perturbations in bothA-components [see (2)]. AsS+1 asmall perturbations in both A-components [see (2)].
(1) Yee, Jones, CC {1969), p. 586. (1) See ref. (1) of Ass.
(2) Harding, Jones, Yee, CJP 48, 2842 (1970). (2) Shimauchi, Karasawa, Ninomiya, SL _gj, 72 (1974);
Shimauchi, Karasawa, CJP 2J, 8Jl {1975).
Ass a aA-type splitting in the 2n! - 2 n! subbands tw ~
O.OJ7(J+i) • Asses {l) Vasudev, Jones, JMS ,2t, 144 (1975).
bValues of 4B~/ we2 , in satisfactory agreement with
experimental values.•
cr:
d e
= +5 x 10-6 •
wey e = -o. 0031 •
(1) Shimauchi, SL 18, 90 (1969).
(2) Shimauchi, CJP ~' 1249 (1971).
(J) Shimauchi, Sakaba, Kikuchi, SL 21, 1 (1972).
(4) Shimauchi, Iwata, Matsuno, Sakaba, Lee, Karasawa,
. SL 21, 145 (1972).
(5) Shimauchi, Karasawa, SL 22, 127 (197J).

49
 50
State T w
e w x
e e Be <Xe De re Observed Transitions References
e
(lo- 8 crn-1 ) ex> Design.
I voo

r91Au2 µ = 98.483274 n00 = 2.30 ev a FEB 1975

B o+ 25685.5 179.85 H o.68ob [0.026961] (0.0000963) [ o. 260] [2.5197] B~X, R 25679.87 z (2)(5)* (8)*
u
A o+ 19668.1 142.3 H o.445c 0.025958 0.0000903 0.35 A~X, R 19643.8 (l)* (2)(.5)
u 2.5679 H
(8)
x 11:+ 0 190.9d H o.420° o.028013f 0.0000723 [0.250] 2.4719
g

µ = 23.7307715 D0
o = J.J4 eVa NOV 1974
24623 250 H 2 [0.12JJ22Jb [11.59] [2.4001] c~x, R 24581.28 z (1)(2)*
22490.3 291.8.3 HQ 3.03 o.13131c 0.00130 (l0.5) 2.3259 B+-+X, Rd 22469.22 HQ (1)(2)*
16265.06 347.96 z 1.854 0.136455 0.000848 7.soe 2.28164 A~X, v 16272. 37 z (1)(2)* (3)
0 333.00 z 1.163 0.129913 0.000663 7.1gf 2.33839

t97Au 1sAs µ = 54.2761760 NOV 1974

System D: vH = 18471.2
+ 228.l(v'+i) - 0.8(v'+i) 2 - 254.S(v"+i) + o.6(v"+t) 2 a R 18457. 8 H (1)
System Cs vH = 17442.l + 242.2(v'+t) - 1.l(v'+t) 2 - 257.7(v"+i) + 0.8(v"+t) 2 a R 174)4.J H (l)
System Ba VH = 16582.l + 241.7(v'+i) - o.9(v'+!) 2 - 254.8(v"+t) + o.6(v"+-!) 2 a R 16575.5 H (1)
System Ac vH = 16473.5 + 226.9(v'+i) - l.l(v'+i) 2 - 239.3(v"+i) + 0.7(v"+t) 2 a R 16467.2 H (1)

197Auun9 n00 = 3. 6 5 ev a NOV 1974

191AuC•3s> Ba. (µ = 81.113786) NOV 1974

Unclassified R shaded bands in the region 13500 - 14100 cm- 1 ; assignment to AuBa uncertain.a (2)
B 21804 137·5 H o.5b B~ (X), a VR 21808 H (1)(2)
A' 1.3522 154.1 H 0.35 A'-dX),ac V 135.35 H (2)
A 12636.4 158.1 H 0.30 JA-+X,a V 12651.0 H (1)(2)
x 0 128.8 H 0.18
Au 2 : aThermochemical value (mass-spectrom.)(J)(4)(6),
recalculated (9)(10), and (11).
b f e
cw eY e = +O. 00 J.
w y = -0.0015.
d e e
From band origins M(.~) = 190.17 6 (8).
ew y =-0.0001.
f e e
Ground state potential curve (7).
(1) Kleman, Lindkvist, Selin, AF~' 505 (1954).
(2) Ruamps, CR~' 1489 (1954).
(3) Drowart, Honig, JCP .£2, 581 (1956); JPC 61, 980
(1957).
(4) Schissel, JCP 26, 1276 (1957).
(5) Ruamps, AP(Paris) ~' 1111 (1959).
(6) Ackerman, Stafford, Drowart, JCP .lJ., 1784 (1960).
(7) Dolgushin, OS(Engl. Transl.) 12, 289 (1965).
(8) Ames, Barrow, TFS .QJ, 39 (1967).
(9) Smoes, Drowart, CC (1968), p. 5J4.
(10) Smoes, Mandy, Vander Auwera-Mahieu, Drowart,
BSCB 81, 45 (1972).
(11) Kordis, Gingerich, Seyse, JCP 61, 5114 (1974).
AuAti ~hermochemical value (mass-spectrom.)(4).
bAverage of the twofi-type doubling components1
6.v fe = +o. 00011 J( J+l).
cFrom bandhead measurements, using ground state con-
stants from A- X.
dReversal of shading in the 0-0 band from V at low J
to R at high J.
AuAt (continued)s
, . . =+0.06xl0 -8 •
eA
-8
fae = -o.o 1 x10
(1) See ref. (5) of Au 2 •
(2) Barrow, Travis, PRS A ..£Zj, 133 (1963).
(3) Lochet, CR B £'.Z.f, 797 (1971).
(4) Gingerich, Blue, JCP ,i2, 185 (1973).
AuAss aThermal emission and absorption.
(1) Houdart, Bocquet, CR B 264, 1717 (1967).
AuBa aThermochemical value (mass-spectrom.)(1)(2).
(1) Gingerich, ZN 24 a, 293 (1969); JCP 2±, 2646 (1971).
(2) Vander Auwera-Mahieu, Peeters, Mcintyre, Drowart,
TFS 66, 809 (1970).
AuBa1 aAll systems in thermal emission.
bAnalysis uncertain.
cit is assumed that the lower state of this system (w;=
128.8, w~x~= o.44) is identical with the lower state of
A- X.
(1) Schiltz, CR .£51, 1777 (1961).
(2) Schiltz, AP(Paris) ~' 67 (1963).
51
 52
State T
e
w
e w x
e e Be ae De re Observed Transitions References
(lo- 6 cm- 1 ) (.i) Design. l voo

i91Au:9Be µ = 8.6178730 NOV 1974

i (2Ili) za b 0.47944C 0.00434 [1. 09]d B~X, v 18956.68 z (l)* (2)
B 18945.98 628.95 3.225 2.01991
A ! (2E+) 17171.04 655.44 za J.595e o.49264f o.oo46J [1. 09]g 1.99266 A+-+X, v 17194.88 z (l)* (2)
x 2E+ 0 607.68 za 3.53 o.46074 0.00400 [l.04 Jh 2.06049 (1)(2)

197Au:z.09Bi µ = 101.397851 NOV 1974

A 17787.4 149.6 Ha 0.34 A+- X, R 1778).J H (l)*
x

l97Au(lf-O)Ca
0 157·7 Ha 0.25
I l
(µ = 33.2221432) NOV 1974 A

Very complex system of R and V shaded bands in the region 16000 - 19000 cm-l.a (1)*
B 15024.8 220.2 HQ o.6 B-+ ( X) b, a V 15 024 .1 HQ (l)*
A 14512.J 212.7 HQ 0.10 A-tX, a V 14508.8 HQ (1)
x 0 220.0 HQ o.62c

'':PA u (J'K>>Ce (µ = 81.801686) 0

Do = 3·.34 eV
a
NOV 1974

t97Au.3sCl µ = 29.6966066 0
Do = (3.5) eV NOV 1974
B 19238.3 316.3 H 1.45 B-+X, R 19205.0 H (1)*
A 1911J.8 312.0 H 0.70 A-11-X, R 19078.6 H (l)*
X ( 1 E+) 0 J82.8 H l.30

197AuS9Co µ = 45.3609948 D00 = 2.2 2 eVa NOV 1974

 State Te w
e wx
e e Be ~ De re Observed Transitions References
(10- cm- 1 ) CR) Design.
1 voo

1'77Au cs2>cr (µ = 41.1018598) 0

Do = 2.2 5 eV
a NOV 1974

AuBe1 aUsing calculated head-origin separations. AuCa1 aThermal emission.

b
weye = -0.065 8 • bThe lower state of this transition ( w; = 221. 85, LU;x; =
cAverage of the two fl-type doubling components1 1.08, w;y;= +0.042) is probably identical with the lower
ti.vfe(v=O) = -O.Ol89s(J+~) + ••• state of A~x.
dH = - 8 .1x10 -13 • c
0 wey e = +o. 01.
e
wey e = -0.193· (1) Schiltz, CR~' 1750 (1961); AP(Paris) ~' 67 (1963).
fAverage of the two.O.-type doubling components;
Avfe(v=O) = +0.1057 9 (J+i) + ••• AuCe1 aThermochemical value (mass-spectrom.)(l).
gH = -11.1 x 10-l3.
0 (1) Gingerich, Finkbeiner, JCP ..2,g, 2956 (1970); ..2!±,, 2621
hH = -5. 4 x lo- 1 3.
0 ( 1971).
(1) Barrow, Gissane, Travis, Nature 201, 603 (1964)r
PRS A~' 240 (1965). AuCJ.1 (1) Ferguson, PR Jl, 969 (1928).
(2) Singh, Pathak, JQSRT 10, 819 (1970).
AuC01 aThermochemical value (mass-spectrom.)(1)(2).
AuBi1 aFrom the variation of AG(v+t) along the rows and (1) Kant, JCP ~' 5144 (1968).
columns of the Deslandres table it appears that the (2) Smoes, Mandy, Vander Auwera-Mahieu, Drowart, BSCB 81,
head-origin separations are very large. 45 (1972).
(1) Houdart, Bocquet, CR B .?.§_], 151 (1966). AuCr1 aThermochemical value (mass-spectrom.)(l).
(1) Ackerman, Stafford, Verhaegen, JCP .JQ, 1560 (1962).

53
 54
State T w w x
e e Be ae De re Observed Transitions References
e e
(lo- 4cm- 1 ) (i) Design. J voo

191 Au (&3>(u (µ = 47.6922211) 0

D0 = 2.36 eVa NOV 1974
Unclassified R shaded bands in the region 16900 - 19600 cm- 1 • ( 1)
D (23699) (182) H D~X, R (23665) H (1)
c (22176) ( 231) H c~x, R (22167) H (1)
B (20655) (250)b H B-+ X, R 20655.4 H ( 1)
A (20241) [195.7]C H A-+ X, R 20214 H (1)
x 0 250 H 0.7

''HAu'9F ~ µ = 17-3271178 JAN 1975

Stimulated IR emission in the range 420 - 950 cm -1 • ( 1)

191Au<s'>Fe (µ = 43.5636468) D00 = 1.9 0 eV a NOV 1974

191Au69Ga. µ = 51. 0584258 NOV 1974

b

l
l.22a
A (O+)
l l
18061.6 219.1 H A~X, VR 18058.0 H (1)(2)(3)
b
x (O+) 0 226.0 H 0.61
191 Au (7lf.lG.e (µ = 53.7492029) NOV 1974
A (2I:) 13743.3 242.6a H 0.59 A~X
2 Rb(l2188)
, H
(1)(2)* (J)
2 A+-+ x1 , Rb 13739.7 H
X2 ( z113/2) (1552)
Xl( Ill/2) 0 249.7a H 0.33

i91Au'H µ = 1. 00269470 0
Do = 3.22 eVa NOV 1974
c l:E+ (43350) (1550)b [(6.66)]b [(1.589)Jb Ct- X, R (42986)b (5)*
c o- 42922 [1229] z (42) 5.96 0.27 [5.J]c 1.680 c+-X,d R 42426 z (5)
b 1 42883 [1075.9] z (58) 5.627 9 0.320 [3.5] 1. 728 5 b+- X, e R 42323.0 z (5)
a 2 (42720) (1020) (45) [5.523]f f a+- X, R 42077.1 z ( 5)
[3.9] [1. 7447]
AuCu1 aThermochemical value (mass-spectrom.)(2).
bPerturbations.
cPerturbations; irregular vibrational intervals.
(1) Ruamps, CR £12., 1200 (1954); SA(Suppl.) 11, 329
(1957).
(2) Ackerman, Stafford, Drowart, JCP .12, 1784 (1960).
AuF1 (1) Rice, Beattie, CPL 1.2, 82 (1973).
AuFe1 aThermochemical value (mass-spectrom.)(l).
(1) Kant, JCP 1_2, 5144 (1968).
AuGa1 aw y = -0. 004 •
b e e 9
For rotational constants derived fro~ incompletely
resolved rotational structure in the 0-0 band see
(4). Uncertain.
{l) Barrow, Gissane, Travis, Nature 201, 603 (1964).
(2) Bocquet, Houdart, CR B ~' 979 (1967).
(J) Lochet, CR B ~' 797 (1971).
(4) Bocquet, Lefebvre, Houdart, JP(Paris) .,;B:, 317
( 1973).
AuGe I B-prom (J). (1) give 6G (i) = 244, AG" a)= 251. 7 (from
I
bandheads).
bMul tiple heads. No analysis of A..-+ x2 •
(l) See ref. (l) of AuGa.
(2) Houdart, CR 261, 2609 (1965).
(J) Houdart, Schamps, JP B 2, 2478 (197J).
Au 1H, Au 2H1
aBased on the value for the common dissociation limit
Au( 2n ) +H( 2s) of states B, a, b, and c (5). Agrees within
312
error limits with an earlier thermochemical value by (1).
bApproximate constants for the deperturbed state. Perturbed
values are B0 = 5.79, v 0 (o-o) = 43105.5. Rotational level~
in v=O are broadenedr broadening increases with J. See J.
c D = 7. 6 x 10 -4 •
1
dQ branches only having J 18. =
0
..o.-type doubling Av f(v=O) ~ +0.006 J(J+l) + 0.00007 J 2 (J+l) 2 -
e +
• •• for J< 17. b l(v=O) perturbed by B 0 (v=J) at J~l8.
Bands with v·~ 1 consist of Q branches only.
fn-type doubling t.vef(v=O) ~ -0.005J(J+l) +0.00002 J 2 (J+l) 2 •
Bands ascribed by ( .5) to v=4 and 5 (B4 = 4.60, B.5 = 3. 63)
consist of Q branches only; line width increasing with J,
see j•
(continued p. 57)
55
 56
State Te w wexe Be ae De re Observed Transitions References
e
(lo- 4cm- 1 ) (.i) Design. I voo

r91Au'H (continued)
B o+ g (J8.545) [1.544 • .5] z (74)h .5.849ij o.107h [J. o]k 1.69.54 B~X, R 38231.8 z (2)(.5)* (6)
o+ g 27665.7 1669 • .5.5 z .5.5.061. 6.0069 0.2491. J. 24.t R 27.344 • .5 z (1) (2)())
A 1.67297 A~X,
(4)* (6)
x lE+ 0 2J0.5.0l z 4J.12m 7.2401 0.2136 2.79m 1..52.385

191Au1H µ = 1.99)71.527 n00 = 3.2 6 evn NOV 1974

c
b 1
lE+ (4JJ.50)
(428J8)
(1100) 0
(845)n (29)n
I
[(3.53)]0
[2.762]P [ o. 9.3]
[ (1.54 8 ) ] 0
[1. 7497]
C<f- X,
b~ x,
R (43086) 0
R 42440.7 z
( .5) *
(5)
a 2 Identification uncertain. a~ X, R ( .5)
B o+ 385Jl.9 1187.4 z JJ.9q 2.951r o.067q o.73q 1.6927 B~X, R )8305.1 z (2)(5)*
A o+ 27644.1 1195.24 z )4.813 J.OJ52 o.0963S o.79s 1.66906 A7-X, R 27420.9 z (2)(3)*
x lE+ 0 1634.98 z 2i.655t J.6415 0.07614 o. 709 t 1.52.379

a91Au''sHo µ = 89.765242 D00 = 2.7 eVa FEB 197.5

191Au c11s>1n (µ = 72.569304) NOV 1974

Red degraded bands in the region 15600-17900 cm- 1 • (1)

191Au•39La. µ = 81.459119 D00 = J. 4 5 eV a NOV 1974

197Au.<T> Li (µ = 6.7746885) D0O = 2.92 eV a APR 1975 A

191Au. c11s> Lu (µ = 92.650724) D0O= J. 41 eV a NOV 1974

a91Au c14>M9 (µ = 21.3813864) NOV 1974

Additional unidentified R shaded absorption bands in the region 38230 - .37580 cm-1 • (2)
Au1H; Au2if (continued) a Au1H, Au2tt (continued)a
gA and B correspond to 1 E* and 1 E**, respectively, of (2). (1) Farkas, ZPC B j, 467 (1929).
hvibrational levels observed up to v=4. Levels with v ?:!I 2 ·(2) Heimer, Naturw. 24, 78 (1936); ZP 101, 121 (1936) 1
are strongly perturbed by C 1 E+. For details see (5). 104, 303 (1937); Dissertation (Stockholm, 1937).
1Broadening, increasing with J, of rotational levels (3) Imanishi, Sci. Pap. IPCR (Tokyo) J!, 247 (1937).
in v=J and 4. See j• (4) Nilsson, Dissertation (Stockholm, 1948).
jPredissociations in Bo+, a 2, and C 1 E+ are due to inter- (5) Ringstrom, Nature 12.§., 981 (1963); AF .£2., 227 (1964).
action with an unstable l state arising from AuC2n )+ ( 6) Loginov, OS (Engl. Transl. ) 16, 220 ( 1964) •
512
H( 2s) 1 see (5).
k D = 3. 4 x 10-4 • AuH01 aThermochemical value (mass-spectrom.)(1)(2)(3).
1
~WeYe= -J.9JI re= -0.027; fie= ~.28x l0- 4 • (1) Cocke, Gingerich, JPC .zj, 3264 (1971).
weye= -0.0441 fae= -o.oo84x 10 • (2) Gingerich, CPL 1J, 262 (1972).
nFrom the value for Au 1H. · (3) Kordis, Gingerich, Seyse, JCP 61, 5114 (1974).
0
Approx.imate constants for the deperturbed state. Per-
turbed values are Bo= 2.954, v 0 (o-o) = 4JOll.O. Con- Auins (1) Barrow, Gissane, Travis, Nature 201, 603 (1964).
stants for an additional level at 45122.8 cm- 1 above AuLas aThermochemical value -(mass-spectrom.)(l).
X 1 E+(v~O), assumed to be unperturbed and tentatively
.
assigne d as v=2, are B =2.75, D = 8 .JxlO - 4 • (1) Gingerich, Finkbeine~, JCP ~' 2956 (1970); ~' 2621
2 2
PAverage of the two .0.-type doubling components; (1971).
llv ef ::$ +o. 0055 J( J+l).
AuLis ~hermochemical value (mass-spectrom.)(l).
qVibrational levels observed for v 6: 7, except v=6.
Levels with v>2 are strongly perturbed by C 1 E+ (5). (1) Neubert, Zmbov, JCS FT I 1Q, 2219 (1974).
foe::$ +o. 06 x lo-4 • AuLu1 aThermochemical value (mass-spectrom.)(l).
rLine width in 5~0 band increases with J.
(1) See ref. (2) of AuHo.
s t'e = -0. 003 8 ; f"'e
().. = +O. 071x10 -4 •
tWeYe= -0.0288; foe= -O.OOJ4x lo-4 • AuMg1 See p. 59.

57
 58
State Te w
e we xe B <Xe De re Observed Transitions References
e
(lo- 7cm- 1 ) (i) De~ign. J voo

191A U c2HM 9 (continued)

D Six R shaded bands in the region J42JO - J2720 cm- 1 • No analysis. D+- X, R (2)
c Jl058 242 H 2a C+- X, R Jl025 H (2)
B ! (2Ili) 19492.J JJ8.5 HQ l.46b [0.1404J]c [1. 02]d [2.3695] B..-+X, v 19507.52 z ( 1) (J)
A.!.2 (2E+) 18392.7 341.7 H 3.3 [o.14201]e [1.06]f [2.3562] A~X, v 18409.05 z ( l)* ( 3)
x 2E+ 0 J07.9g H 1.1 0.13214 0.00073 [1.02]h 2.4427

1q1AussMn µ = 42.9565700 D00 = l. 88 ev a NOV 1974

191A uCtlf.1> Nd (µ = 82.482152) D0O= 3.0 6 eV a NOV 1974

191Au<5s>Ni (µ = 44.7675118) D00 = 2.5 eV a NOV 1974

3

i91Au'60 µ = 14.79358355 D00 = 2.3 eV a

3 NOV 1974 A

191Au(2.0B>p b (µ = 101.160962) NOV 1974

A second system under low resolution near 8800 cm- 1 , possibly due to A-+X 2 • a (2)
A-+ X , a R 16354.6

l
A 16357.6 152.7 H 0.9 1 H (l)*
xl

197Au (IO(,)p d
0 158.6 H o.6
l I
(µ = 68.872592) D00 = l. 4 4 eva NOV 1974

191Au1""'Pr µ = 82.143292 D0O= 3.1 2 eV a NOV 1974

s
191A u C32.l (µ s:: 27.507p6],9) D00 = 2.5 ev a
9 NOV 1974
AuMg1 aw y = - 0.1. Au01 aThermochemical value (mass-spectrom.)(l).
b e e
w y = + 0.009.
c e e (1) See ref. (2) of AuNi.
Average of the two.Q-type doubling components;
~vfe(v=O) = - o.0039 (J+i) + ••• AuPb1 aThermal emission.
3
dH = + 1. 54 x l0-l3.
0 (1) Houdart, Carette, CR 260, 5746 (1965).
eAverage of the two 12-type doubling components;
(2) Houdart, Schamps, JP B §, 2478 (1973).
~vf (v=O) = + o.0264 0 (J+i) + •••
f e -lJ •
H0 = + 0. 96 x 10 AuPd1 aThermochemical value (mass-spectrom.)(l).
gFrom band origins ~G(!) = 306.10.
(1) Ackerman, Stafford, Verhaegen, JCP .JQ, 1560
hH = + 1.56 x 10-lJ.
0 (1962).
(1) Ruamps, AP(Paris) 1, 1111 (1959).
(2) Schiltz, CR £51, 682 (1960). AuPr1 ~hermochemical value (mass-spectrom.)(l).
(J) Barrow, Gissane, Travis, Nature 201, 603 (1964); (1) See ref. (1) of AuNd.
PRS A~' 240 (1965).
AuS1 aThermochemical value (mass-spectrom.)(2). See,
AuMn1 aThermochemical value (mass-spectrom.)(l). °
however, (1) who gives n 0 = 4.2 4 eV.
(1) Smoes, Drowart, CC (1968), 534. (1) Gingerich, CC (1970), 580.
(2) See ref. (2) of AuNi.
AuNds aThermochemical value (mass-spectrom.)(l).
(1) Gingerich, Finkbeiner, JCP ...2,g, 2956 (1970);
.2!,, 2621 (1971).

AuNi1 ~hermochemical value (mass-spectrom.)(1)(2).

(1) Kant, JCP 1..2,, 5144 (1968).
(2) Smoes, Mandy, Vander Auwera-Mahieu, Drowart,
BSCB 81, 45 (1972).

59
 60
State w we x e Observed Transitions References
e
Design. I
NOY 1974
Four systems of R shaded bands, presumably in thermal emissions
System D1 VH = 16762.3 + 186.2(v'+!) - 0.6(v'+i) 2 - 203 (v"+l) + 0.4(v"+i) 2 • ( 1)
System Ca VH = 16108.6 + 192.8(v'+i) - 0.3(v'+i) 2 - 204.7(v"+i) + 0.3(v"+t) 2 • (1)
System B1 VH = 15189.7 + 192.8(v'+i) - 0.3(v'+i) 2 - 20J.9(v"+i) + 0.3(v"+i) 2 • ( 1)
System Ac VH = 15047.9 + 186.2(v'+i) - 0.6(v'+i) 2 - 204.7(v"+i) + O.J(v"+i) 2 • ( 1)

NOV 1974

191Aucso>se (µ = 56.8502868) NOV 1974

(A) (15834) (210)b H (A)-.{X), (15804)b H (1)
(X) 0 (270)b H
l
µ = 24.4973499 NOV 1974 .J

A~X , c
389.5b H 2.22 2 (12561) H (1)(2)* (5)
A._X
1, R 13631.8 H (1)(2)* (5)
(1071)
0 1.32

NOV 1974
Fragments of an unidentified system, possibly due to AuSn, in thermal emission from 25000
to 26300 cm- 1 • (2)
13899.0 179.0 H 1.44 (11348) H (2)(.3)
13893.3 H (2)())
(2545)
0 190.4 H 1.26
AuSb1 (1) Houdart, Bocquet, CR B 264, 860 (1967). AuSn1 aThermochemical value (mass-spectrom.)(l).
bThree sequences of bandheads.Low dispersion only.
AuSc1 8..rherrnochemical value (mass-spectrom.)(l).
(1) Ackerman, Drowart, Stafford, Verhaegen, JCP jQ,
(1) Gingerich, Finkbeiner, Proc. 9th Rare Earth Res.
1557 (1962).
Conf., Blacksburg Va. (October 1971). Edited by
(2) Collette, Schiltz, CR .£21, 2092 (1963).
P. E. Field. Vol. II, 795. (J) See ref. (5) of AuSi.
AuSe1 8..rhermochemical value (mass-spectrom.)(2).
bPreliminary data only, no details.
(1) Joshi, JMS ~' 79 (1962).
(2) Smoes, Mandy, Vander Auwera-Mahieu, Drowart, BSCB
81, 45 (1972).

AuSi: aThermochemical value (mass-spectrom.)(J)(4).

btiG'(t) = J86.o, and 6G"(~) = 391.2, from band heads
acc. to (1).
cComplex system of V and R shaded bands. No analysis.
(1) Barrow, Gissane, Travis, Nat~re 201, 603 (1964).
(2) Houdart, CR B 262, 550 (1966).
(3) Gingerich, JCP 2.Q, 5426 (1969).
(4) Vander Auwera-Mahieu, Peeters, Mcintyre, Drowart,
TFS 66, 809 (1970).
(5) Houdart, Schamps, JP B §, 2478 (197J).

61
 62
State Te w
e w x
e e B
e «e De re Observed Transitions References
(10- cm- 1 ) (i) Design. l voo

191Au css>sr (µ = 60.7797799) NOV 1974

Unclassified bands from 14500 to 15200 cm-l.a ( 1)
c 14162.2 155.63 H 0.28 C-+X,a 14163.3 H (1)
B 13832.7 147.04 HQ o.92b B-+X,a v 13829.4 HQ (l)*
(A) (140)c H (A-+X)ac (1)
x (2t) 0 153.33 HQ o.19d

191Au1sqTb µ = 87.956432 0
D0 = 3.0 eVa FEB 197 5

191 Au.030JTe (µ = 78.2787177) D00 = 2.4 2 eVa NOV 1974

A 15481 H A-f'X, R 15453 H (l)*
j
156.1 0.10
(X) 0 212.5 H 0.50
I
i91Au13su µ = 107.784312 0
DO = 3.2 5 eV
a NOV 1974

197AuB9y µ = 61. 2562834 0

DO = 3.0 8 eV
a NOV 1974
AuSr1 aThermal emission.
bweye= +0.06.
cUncertain analysis of bands in the region 11600-
13200 cm- 1 , possibly forming part of B~ X ( 1).
d '
weye= -0.007.
(1) Schiltz, AP{Paris) ~' 67 (1963).

AuTb1 ~hermochemical value (mass-spectrom.)(1)(2).

(1) Gingerich, CPL l}, 262 (1972).

(2) Kordis, Gingerich, Seyse, JCP 61, 5114 (1974).

AuTes ~hermochemical value (mass-spectrom.)(2).

(1) Maheshwari, Sharma, PPS 81, 898 (i963).

(2) Smoes, Mandy, Vander Auwera-Mahieu, Drowart,
BSCB 81, 45 (1972).

AuU1 ~hermochemical value (mass-spectrom.)(l).

(1) Gingerich, Blue, JCP !±1, 5447 (1967).

AuY1 aThermochemical value (mass-spectrom.)(l).

(1) Gingerich, Finkbeiner, Proc. 9th Rare Earth Res.
Conf., Blacksburg Va. (October 1971); ed. Field.
Vol. II, p. 795.

63
 64
State Te we wexe Be «e De re Observed Transitions References
(10- cm-1 ) (i) Design. l voo

"B2 µ = 5.50465267 0
Do = J.02 eva SEP 1976
A JI:- J057J.4 937.4 z 2.6 1.160 0.011 1.625 A~X, R 30518.10 z (l)* (2)(6)
u
x 3t- b 0 1051.J z 9.35 1.212 0.014 1.590
g

. (l?>s>Ba 79 Br (µ = 50.1940415) D00 = 3.7 9 eva FEB 1976 A

E 2E+ 26865.9 219.9 H 0.35 E.....,X, v 26878.9. H (2)(7)(8)

D 2E+ 25670.9 209.1 H 0.53 D~X, v 25678.5 H (2)(7)(8)
c 2n 19192.5 197.4 H o.41 19194.3 H
cb-x, R 18652.7 (l} (2) (7)(8)
18650.9 H
B ( 2 E+) 11325c .. B+X, (7)
A ( 2Il) 10604~ A•X, (7)
9980
x 2E+ 0 19J.8 H o.42

t38Ba35Cl µ = 27.8953776 0 = 4.5

D0
5
eVa FEB 1976 A
G ( 2E) 32511.4 331.J 1.29 G+X, v 32537.3 (2)
F (2E) 29493.6 331.8 H 1.30 F-t- X, v 29519.7 H (2)
E 2E+ 27064.8 Jll.5 H 0.93 E-X, v 27080.9 H (l)* (2)
D 2E+ 25471.6 304.6 H 1.04 n...-.x, v 25484.2 H (l)* (2)
c 2n 19450.l 285.0 HQ 0.79 cb-x, R l945J.O HQ (l)* (2)
19062.9 280.2 HQ 0.79 v 19063.4 HQ
B ( 2E+) 11880.0 255.25 H 0.83 B~X, R 11868.0 H (J)(l4)
(J) ( 14)
A ( 2Il) 10995.J
10363
256.35 H 0.73 A-X, R 10983.9 H
10.351.l H (8)(14)
x 2E+ 0 279.3 H 0.89
 8Thermochemical value (mass-spectrom.)r from (3), but BaC!a ~hermochemical value (mass-spectrom.)(6)(7). In agree-
using the higher value from (5) for the heat of sub- ment with a theoretical lower limit (5) of 4.J5 eV.
limation of boron. Flame photometry (11)(12) gives 4.6 eV. A higher value,
3
bExperimental evidence (6) supports a 3~ ground state; ng~ 4.7 7 eV, was estimated (9) from the short-wave-
theoretical calculations (4) predict a 5k~ state at length limit of the BaC! chemiluminescence spectrum.
approximately 1100 cm-1 below the lowest state of 3~~ bRadiative lifetimes (lJ) for the upper and the lower
symmetry. component of C 2 n(v=0) are 16.6 artd 17. ns, respec-
5
(1) Douglas, Herzberg, CJR A 18, 165 (1?40). tively. (10) give T=22 ns.
(2) Nicholls, Fraser, Jarmain, CF J, 13 (1959). (1) Parker, PR 46, JOl (19J4).
(J) Verhaegen, Drowart, JCP J.Z, 1367 (1962). (2) See ref. (2) of BaBr.
(4) Bender~ Davidson, JCP 46, 3313 (1967). (J) Barrow, Crawford, Nature .!iZ, JJ9 (1946).
(5) JANAF (1971). (4) Gurvich, Ryabova, HT(USSR) ~' 190 (1964); J, 604
(6) Graham, Weltner, private communication (1976); (1965).
JCP £2, 1516 (1976). (5) See ref. (J) of BaBr.
(6) Zmbov, CPL~' 191 (1969).
BaBr1 aThermochemical value (flame photometry)(5). In agree- (7) Hildenbrand, JCP jg, 5751 (1970).
ment with a theoretical lower limit of J.76 eV (J). (8) Lagerqvist, quoted in DONNSPEC (1970).
bRadiative lifetimes (6) for the upper (v=8) and for (9) Jonah, Zare, CPL 2, 65 (1971).
the lower (v=4) component of C 2n are 16.5 and 17. 9 ns, (10) See ref. (4) of BaBr.
respectively. A shorter lifetime of 8 ns was reported (11) See ref. (5) of BaBr.
cPreliminary data, no details. I.
by (4). (12) Ryabova, Khitrov, Gurvich, HT(USSR) 10, 669 (197J).
(1) Hedfeld, ZP 68, 610 (19Jl). (lJ) See ref. (6) of BaBr.
(2) Harrington, Dissertation (U. of California, 1942). (14) See ref. (7) of BaBr.
(J) Krasnov, Karaseva, OS(Engl. Transl.) 12,, 14 (1965).
(4) Capelle, Bradford, Broida, CPL 21, 418 (197J).
(5) Gurvich, Ryabova, Khitrov, FSCS No. 8, 83 (197J};
Khitrov, Ryabova, Gurvich, HT(USSR) 11, 1005 (197J).
(6) Dagdigian, Cruse, Zare, JCP 60, 2JJO (1974).
(7) Bradford, Jones, Southall, Broida, JCP 62, 2060 (1975).
(8) Joshi, Gopal, Pramfu:a ~' 276 (1975).

65
 66
State T w w x
e e Be ~e De re Observed Transitions References
e e
(lo- 6cm- 1 ) (i) Design. l voo

c13a> Ba. '9 F (µ = 16.6980158) D00 = 6 .05 ev a I.P. = 4.8 5 eV b FEB 1976
I (.514) I~X, (JJ717) (11)
H ( 2E) 31582.3 508.8 H 2.00 H~X, 31602.2
(V) H (J) (11)
G (2E) Jl451.9 510.4 H 0.83 G~X, (V) Jl472.9 H (J) (11)
F (2E) 29411.J 529.9 H 2.00 F~ X, 0 (V) 29441.8 H (J)(ll)
E 2E+ 28139.7 .5J8.4 H 1.90 [o.229o]d (0.0011) [0.162] [2.100] E~X, v 28174.45 z (3) (7) (11)
(2)* (.3)(7)
D' 2E+ 26227.0 504.9 H 1.54 o.2269e (0.00099) o.176e 2.109e D' ~x, V 26245. of z (9)(11)
D 2E+ 24156.8 508.4 H 1.88 [o.2273Jg (0.0011) [0.173] [2.107] D'-+X,h V 24176.54 z (2)* (J) (7)
( 11)
c 2n 20197 (0.2148)~ (0.0012) (2.170) cj~x, R 20191 H (2)* (9)(12)
19998.2 456.0 H 1.67 (0.2138) 1 19991. 8 H (13)(15)
B 2E+ 14062 • .5 424.4 H 1.88 [o.2071]k (0.0012) [0.190] [2.208] B~X, c R 14040.21 z (1)(2)* (7)
(9)
2n 12278.2 436.7 HQ 1.82 (0.0012) [ o. 208] 12262.09 z
A HQ to.2119j.t [2.183] A~X, R (1)(2)(7)(9)
r 11646.9 435.5 1.68 0.2118 (0.0011) 11630.20 z
x 2E+ 0 468.9 HQ 1.79 [0.2158 ]m (0.0012) [0.175] [2.1627] ESR sp. n (10)
5

c13s> Ba.'H {µ = 1.00051337) °

n0 6 1.95 eva FEB 1976
G 2E Single band. [3.65] [2.15] G~ X, v 31645 (12)
F 2E+ [3.626]b [114] [2.156] F~ X, 30747.91 z
v (8)* (12)
c 2E+ 23675 1282 z 15 3 • 59 cde 0.064 (100) 2.17 c~x, v 2J7J2d ( z) (6)(7)(9)*
D 2E+ 21885f 428f 4.5 l.62fgh 0.017 (100) J.22 D~X, i R 21517f (9)
fn
E 2 3/2
01;2
15055·4
1460.5
1228.6
[1186.7]
z
z
16.9 3.56oj
3.486j
0.075
0.072
[122]k
[110].t.
2.187 E~X, v
15084.9m Z
14630.lm Z
(l)* (2)

B 2E+ 11092.44 1088.9 z 15.4 3.266n 0.070 111 2.308° B-+-X, R 11052.51 z (3)(5)
BaF1 aThermochemical value (mass-spectrom.) (4) (5) (8).
6.3 eV by flame photometry (6).
7 3
bElectron impact appearance potential (5)(8).
cDouble heads.
dSpin-doubling, If-(! = 0.184.
eConstants for v=l. Spin-doubling, Ir-r" I = o. 0091.
fCalc. from the origin of the 1-0 band at 26746.86 cm- 1 •
gs pin-doubling, Ir-r" I = 0. 0047.
hThe bands have normal structure, but the four branches
have unusual intensities, the two strong branches
.being either R1 and P 2 or R2 and P1 •
1
Estimates based on band head separations (12)(1J).
jRadiative lifetime 'Z:'(v=O) = 23.6 ns (14).
kSpin-splitting constant (= (-)0.26J.
tA-type doubling, ~vfe = - o.258(J+!).
mSpin-spli tting constant O= + 0. 00278.
nin Ne and Ar matrices at 4 K (10).
(1) Nevin, PPS !±], 554 (1931).
(2) Jenkins, Harvey, PR J.2, 922 (19J2).
(J) Fowler, PR .22_, 645 (1941).
(4) Blue, Green, Ehlert, Margrave, Nature 12,2, 804 (1963).
(5) Ehlert, Blue, Green, Margrave, JCP 41, 2250 (1964).
(6) Gurvich, Ryabova, HT(USSR) g, 366 (1964).
(7) Barrow, Bastin, Longborough, PPS .2.,g, 518 (1967).
(8) Hildenbrand, JCP 48, 3657 (1968).
(9) Mohanty, Mohanty, Mohanty, IJPAP ~' 42J (1970).
(10) Knight, Easley, Weltner, Wilson, JCP 2±., 322 (1971).
(11) Singh, Mohan, JP B ~' 1395 (1971); IJPAP 11, 918 (1973).
(12) Kushawaha, Asthana, Shanker, Pathak, SpL 2, 407
(1972); Kushawaha, SpL Q, 633 (1973).
(13) Cruse, Dagdidgian, Zare, FDCS No. 55, 277 (197J).
(14) See ref. (6) of BaBr.
(15) See ref. (7) of BaBr.
Ba1Ha aFrom the predissociation in C. 2 E+(v=l), assuming
dissociation into 3n + 2s; see (9).
bDiffuse lines.
CSpin-spli tting constant r = + 0.14.
dv=O interacts strongly with successive vibrational
levels of D 2 t+. A third (unidentified) state
affects the low J levels in v=OJ see (9).
eEmission from v=l breaks off above N=8; in absorp-
tion, the lines become broad for N'~ 10. Similar
predissociation effects in absorption to v'=2 and J;
see (9).
fVibrational numbering uncertain.
gSpin-spli tting constant f = + 0.12.
hstrong interactions with C 2 E+(v=O). Weaker per-
turbations may be caused by a 4 ~ state; for details
see Figs. 6 and 10 of (9).
iThe P2 and R1 branches are about twice as strong as
.the P1 and R2 branches (9)(11).
Jsmall perturbations. Large A-type doubling in 2n .
1
For a refined treatment of the rotational structure
see (15).
k
H0 =+J.lx10 -9 •
J,
H = + 2. 0 x 10 -9 •
0
m{J'=O} relative to N"=O.
nEffective constants. Very large spin doubling (t0 ~
-4.9) due to interaction with A 2 n. "True" constants
(Be= 3.164, ae = 0.061) have been determined by (16)
whose revised spin splitting parameters are in good
agreement with "pure precession" values for t=2.
°From the "true" ro~ational constants; see n and P.
(continued p. 68)
67
 68
State Te we wexe Be «e De re Observed Transitions References
(10- 6crn- 1 ) (i) Design. I voo

(13s>Ba.'H (continued)
2 z lJ.59 J.J22pq 0.082 [132.2]r 9910.88m z
9939.82 1109.98
A { 2IlJ/2 2.249° A~X, R (4)(5)(10)
2Ill/2 9457.45 1110.55 z 15.29 J.27887P 0.07283 [121] 8 9428 • .37m Z
H ( AJ/2 ) [10609]t [102J]t [2.97]t (10)(16)
X 2E+ 0 1168.Jl z 14.50 J.J8285U 0.06599 [112.67]V 2.23175 ESR sp.w (14)

(a3a>Ba2.H {µ = 1.98510975) ng ~ 1.97 eva FEB 1976

F 2E+ (.30708) [860.6] z [1.8J76]b c [29.2] [2.1497] F+- X, v )0725.25 z (1)(6)(7)
c 2E+ 23675 910 7.6 l.80d 0.020 2.17 C<f- X, v 23715 (2)* (7)
D 2E+ 21884e J04° (2.J) o.827ef (0.0082) J .. 20 D+- X, R 21622° (2)(7)
2 [J0.4 Jj
z v 15080.24k z
15059.)2 872.19 8.47 1. 7874gh 0.0259
E { /3/2 2.186 E~ X, (7)*
ll1;2 14604.12 867.82 z 8.78 l.7653gi 0.0255 [28.4] 14622. 70k z
B 2E+ 11089.62 772.99 z 7.72 1.63551. 0.0252 [28.9]m 2.298n B~ X, R 11061.13 z (J)* (7)

A (II
2 J/2
n1;2
99)8.)4
9456.20
791.23
788.85
z
z
7.80
7.67
l.65983°
l.64750q
0.02710
0.0259
[JLO]P
[29.4]
2.259n A+- X, R
9918.95k z
9435.65k z
(4)* (7)
2 [984oY [1.59l]r (4)(7)(10)
H ( ll / 2 )
3
X 2E+ 0 829.77 z 7.32 1.7071 s 0.02363 [28.77]t 2.2304

Ba1rr (continued)a Ba1H (continued)a

PEffective constants. Large.A-type doubling due to inter- doubling agrees with "pure precession" values for t=2.
action with B 2t+a qPerturbations by H 2 A /2 (v~ 2) (10)(16).
~IIJ/Z' Avfe(v=O) =-J.J8 x 10-4 (J-i){J+i) (J+f) + •• •I r H = +6 • 6 x 10 -9 •
3
0
nl/2' '1vfe(v=0) = -5.J07(J+i) + •••• sH = +4 x io-9.
0
(16) has evaluated "true" constants for v=0,1,2 (Ao= tConstants (10) for the lowest observed level, probably
+438. l, B0 = J. J06, ••• ) and has shown that the A-type v=2 (16). From perturbations in A 2n •
312
Ba 1H (continued)a Ba 2H (continued)s
uSpin splitting constant io= +0.1927; also higher order tational structure see (9).
terms (lO)(lJ). hA-type doubling,
vH 0 = +2.89 x lo-9. . 6vfe(v=O) = +o.o6ox lo-4 {J-!)(J+i) (J+i.) - ••••
win Ar matrix at 4 K (14). 1
A-type doubling, 6vf 9 (v=0) = +0.43J(J+~) - •••• v=O is
(1) Fredrickson, Watson, PR J2., 753 (1932). perturbed by B 2E+(v=5).
jH 0 = +4 • 1 x 10 -lO •
(2) Funke, ZP 84, 610 (19J3).
(J) Watson, PR 1J, 9 (1933). ksee m of Ba1H.
(4) Watson, PR !±2, 213 (1935). !Effective constants. Very large spin splitting, to=
(5) Koontz, Watson, PR 48, 937 (1935). -2.433. "True I! constants (Be= 1.608, tXe = o. 024) have been
(6) Grundstrom, ZP _22, 595 {19J6). evaluated (10); seen of Ba1 H.
mH o=+J. ? xlO -10 •
(7) Funke, Grundstrom, ZP 100, 29J (1936).
(8) Edvinsson, Kopp, Lindgren, islund, AF £5., 95 (1963). nFrom the "true" rotational constantsi see J, and 0 •
0
(9) Kopp, islund, Edvinsson, Lindgren, AF JQ, J21 (1965). Effective constants. Large A-t~pe doublinga
(10) Kopp, Kronekvist, Guntsch, AF Jg, 371 (1966). 312
~n , 6vfe{v=O) = -0.524x 10- (J-i) (J+i) (J+~) + ••• 1
(11) Kopp, Hougen, CJP ~' 2581 (1967). n112 , 6vfe{v=0) = -2.636(J+i) + ••• ; see also (5).
(12) Khan, JP B !, 985 (1968). "True" constants for v=O,l,2 (Ao= +4JJ.6, Bo= 1.652, ••• )
(13) Veseth, JP B ], 1677 (1970). have been evaluated (10); see P of Ba1H.
PH = +5 .3x 10-10 •
(14) Knight, Weltner, JCP .2±,, J875 (1971). 0
(15) Veseth, JMS J.fl, 228 (1971). qv=O perturbed by H 2a {v=2).
312
(16) Veseth, MP 20, l057s 21, 287 (1971)1 £5,, JJJ (1973). rSingle level, probably v=2 (10), observed in a pertur-
bation of A 2n (v=O).
Ba~a aSee a of Ba1H.
1
sSpin splitting constant fo=+0.0972; also higher order
bsee b of Ba1H. terms ( 7) ( 8) •
cv=l perturbed, B1 1'111.855, D1 1:$ 41 x io-6 • ~o= +4.ox lo-10 •
dstrong interactions with D1 E+. Only v=l has been ana- (1) See ref. (8) of Ba1H.
lyzed in detail. Lines are broad above v'=l,N'=22.
(2) See ref. (9) of Ba1H.
esee f of Ba1H.
(3) Kopp, Wirhed, AF Jg,, JO? {1966).
fstrong interactions with C 2E+. v=8 ••• ll have been (4) See ref. (10) of Ba1H.
analyzed, but only v=ll has been deperturbed.
gEffective constants. For a refined treatment of the ro- {continued p. 71)

69
 70
State Te w
e w x
e e Be tre De re Observed Transitions References
(10- cm- 1 ) (i) Design.
l voo
c13s> Ba 121
1 (µ = 66.0881789) D00 = 4.42 eva SEP 1976
Additional emission bands in the region 22300 - 23300 cm -1 I
23224.8
Ve = 22664.7
'°'e -_ 171.0
173.0 w'x' 0.50
e e = 0.50
w" _ 177.0
e - 177.0 w"x" 0.60
e e = 0.65 ( 8)

E (2L:+) 26753 176.ob H 0.30 E~X, v26765 H (4)(5)(6)*

D (2L:+) 25764 161.1b H 0.26 I D~X, v25769b H (4) (5) (6)*
d 18568 (1) (2) (4) (5)
c ( 2n) 18569
17814 150.05c H 0.275 C ~X, VR
17813
H
H (12)
B ( 2L:) l0417e B-+X, (10)
992le
A ( 2TI) 9268e A-tX, (10)
x (22:+) 0 152.JOc H 0.270
Ba 2H (continued) 1 BaI1 ~rom the Ba+ r 2 chemiluminescence spectrum, see (11).
See ref. ( 11) of Ba 1H. Lower bounds were earlier predicted by (J) and (7).
( 5)
(6) See ref. (12) of Ba1H. bVibrational constants from (4). Similar results in (5).
Kopp, Wirhed, AF J.§., 277 (1968). A different analysis of the D- X system has been sugges-
(7)
(8) See ref. (lJ) of Ba 1H. ted (6), placing the 0-0 band at 26101 cm- 1 , and resulting
(9) See ref. (15) of Ba 1H. in increased upper and lower state vibrational constants.
(10) See ref. (16) of Ba1H. cVibrational constants recalculated by (12) from unpublish-
ed data of M. M. Patel; for the upper state there is only
moderate agreement with the constants in (4).
dRadiative lifetime T= 16. ns (9).
5
ePreliminary data, no details.
(1) Walters, Barratt, PRS A 118, 120 (1928).
(2) Mesnage, AP(Paris) 12, 5 (19J9).
(J) See ref. (J) of BaBr.
(4) E. Morgan, unpublished, quoted in DONNSPEC (1970).
(5) Patel, Shah, IJPAP ~' 681 (1970).
(6) Reddy, Rao, JP BJ, 1008 (1970).
(7) Mims, Lin, Herm, JCP .51., J099 (1972).
(8) Shah, Patel, Darji, JP B j, Ll9i (1972).
(9) See ref. (6) of BaBr.
(10) See ref. (7) of BaBr.
(11) Dickson, Kinney, Zare, CP 1.2, 243 (1976).
(12) Dagdigian, Cruse, Zare, CP .!2, 249 (1976).

71
 72
State Te we wexe Be «e De re Observed Transitions ReferAnces
(10-?cm-1 ) Ci) Design. J voo

l3•Ba''O µ = 14.33255598 D00 = 5.79 eva I.P. = 6.9 1 eV b SEP 1976 A

[36490 - J8620] Nineteen 1 E+ vibronic levels belonging to two or more perturbed electronic states.c (J5)
B ( 1n) 32866.4 488 H 3.6 I B+-+ x, R 32775 H (.5)*
A' 1n d 17691 443 H 1.66 o.2252e 0.001) 0 (2.J) 2.285 A'f~X, R 17578 H (J2)( .34)
(J9)* (40)

a Jnrno+ d
d
17586.5
17442
449. 0g
[445] g
2.5
(4.5)
0.22.544g
[0.22.54]g
0.00138
2.289
3 l d g g
Il2 17393
h (l)* (2)*
A lI:+ 16807.2 z l.64 o.25832h 0.001070 2.8 2.1338 Ai+-4 X, j R 16722.2.5 z (4)* (18}
499·7
Microwave optical (Jl)
double resonance (22)(2.3)(26)
J,
x lE+ 0 669.76k z 2.028 o.312614ok 0.001J92lm 2.724 l.939692n Microwave sp. 0 (7)(1.5){JJ)
Mol. beam electricP q (6)
and magn. reson. (10)

BaOa aBy extrapolation of the highest observed ground state
levels (v=O,J) populated in the reaction Ba+ co 2 under
single-collision conditions (Jl). Compatible with lower
bounds obtained from the short-wavelength limits of the
Ba+ No 2 (17)(21) and Ba+ 01.0 2 (40) chemiluminescence
spectra. Flame photometric values (16)(2?)(J6), if cor-
rected to a 1 E ground state, are near 5.6 eV. Earlier
9
measurements reviewed in (12)(1J).
bElectron impact appearance potential (28)(J8}.
cOptical-optical double resonance laser spectroscopy.
d.3n 2 , .3n 1 ,.3n 0 , and 1n [see (29)] correspond to Q,Z, Y,
and X, respectively, of (2)(J).
eOnly v=l2, 17, 18 have been rotationally analyzed (J4). In
addition, constants for V=2, J, 4 have been derived (2) (J)
from perturbations (29) in v=J,4, 5, resp., of A 1 E+.
!Radiative lifetime <r(v=lJ ••• 17)=9 µs (J4). Similar life-
times observed by (18)(20) can be attributed to either
A• 1 n or a .3ni; see (JO).
gFrom perturbations in A 1 E+ (2)(3)(29). (29) has aqopted
the following constants for a Jni 1 Te= 1748), A= -10.5,
we=448.J, w9 xe= 2.39, Be= 0.2244, ae= 0.0014.·
hPartially deperturbed constants. Numerous interactions with
levels of a.3ni and A' 1 n, except in v=O which is unper-
turbed (2)(J)(29). Potential curve (11)(.37).
Bao (continued) 1
(13) Gaydon, DISSEN (1968), p. 241.
iRadiative lifetime T(v=O) = 0.356 µs; f 00 (A<'-X) = (14) Walvekar, Korwar, JP B g, 115 (1969).
0.00026 (20). Slight variation of~ with v. (15) Hoeft, Lovas, Tiemann, T6rring, ZN .£2 a, 1750 (1970).
jRelative intensities (9)(14)(19)(25); Franck-Condon (16) Kalff, Alkemade, JCP ..2£, 1006 (1970).
factors (8)(24)(37). (17) Ottinger, Zare, CPL 2, 243 (1970).
kThe ground state constants have been derived (J5) from a (18) Sakurai, Johnson, Broida, JCP ,2g, 1625 (1970).
combination of microwave rotational constants (15)(33), (19) Degen, Brown, Romick, PSS 1.2,, 1625 (1971).
electronic band origins (2), and data on higher vibra- (20) Johnson, JCP .2§., 149 (1972).
tional levels ( v ::!. 34) obtained by optical-optical double (21) Jonah, Zare, Ottinger; JCP .2§., 263 (1972).
resonance photoluminescence spectroscopy. They were used (22) Field, Bradford, Harris, Broida, JCP .2§., 4712 (1972).
for the construction of the RKR potential curve up to (2J) Field, Bradford, Broida, Harris, JCP ..22, 2209 (1972).
v=40 (35). (24) Wentink, Spindler, JQSRT 12, 129 (1972).
! 'JJeYe = - O.Oo3 , weze
5 6 - 6 • 3 x 10 -5 • (25) Best, Hoffman, JQSRT lJ, 69 (197J).
mv-- 4
ae = - .3 3 xl0 - (26) Field, English, Tanaka, Harris, Jennings, JCP j2,
nFrom the Dunham corrected microwave Be value in (JJ). 2191 (197J).
0
values of eqQ(lJ5,l37Ba) in (15)(33). (27) Kalff, Alkemade, JCP j2, 2572 (1973); 60, 1698 (1974).
Pµe 1 (v) = [7.934 + 0.042(v+~)] D. (28) Panchenkov, Gusarov, Gorokhov, RJPC !±1, 55 (197J).
qgJ = (-)0.103. (29) Field, JCP 60, 2400 (1974).
(1) Mahanti, PPS 46, 51 (19J4). (JO) Field, Jones, Broida, JCP 60, 4377 (1974).
(2) Barrow, Lagerqvist, Lind, Nature 164, 923 (1949); (Jl) Dagdigian, Cruse, Schultz, Zare, JCP 61, 4450 (1974).
Lagerqvist, Lind, Barrow, PPS A .2.J., 11J2 (1950). (J2) Hsu, Krugh, Palmer, Obenauf, Aten, JMS 2], 273 (1974).
(3) Kov,cs, Lagerqvist, JCP 18, 1683 (1950); AF g, 411 (JJ) Tiemann, Bojaschewsky, Sauter-Servaes, TBrring,
( 1950). ZN _g_2_ a, 1692 (1974).
(4) Gatterer, Junkes, Salpeter, Rosen, METOX (1957). (J4) Pruett, Zare, JCP 62, 2050 (1975).
(5) Parkinson, PPS 2§., 705 (1961). (J5) Field, Capelle, Revelli, JCP .2.J., J228 (1975).
(6) Wharton, Kaufman, Klemperer, JCP J.Z, 621 (1962); (J6) Van der Hurk, Hollander, Alkemade, JQSRT 15_, 113
J.2., 240 (1963). (1975).
(7) Wharton, Klemperer, JCP J.§., 2705 (1963). (J7) Tawde, Tulasigeri, APH J.§., 299 (1975).
(8) Ortenberg, Glasko, Dimitriev, SAAJ ~' 258 (1964). (38) Rauh, Ackermann, JCP 64, 1862 (1976).
(9) Vaidya, Desai, Bidaye, JQSRT ~' 353 (1964). (J9) Wyss, Broida, JMS j2, 2J5 (1976).
(10) Brooks, Kaufman, JCP 1}, 3406 (1965). (40) Engelke, Sander, Zare, JCP .22, 1146 (1976).
(11) Singh, Rai, IJPAP ~' 102 (1966).
(12) Schofield, CRev §.J_, 707 (1967).

73
 74
State Te w wexe B
e «e De re Observed Transitions References
e
(lo-7cm- 1 ) (i) Design. l voo

138
Ba32S µ = 25.9547097
0
D0 = 4. 36 eVa MAR 1976 A
B lE+ 27060.29 254.10 z o.438 0.08604 0.00044 2.7475 B+-X, R 26997. 74 z (5)
b b
A lE+ 14493 294.3 J.08 0.09353 0.00072 2.635 A-+-X, R 14450 ( 3) ( 5)
a (3no+) (14570) (235)c (0.078 )c (2.88)
5
x lE+ 0 379.42 z o.8842 0.10331 0.0003188 0.306 ~ 2.5074 Mol. beam el. reson.d (4)
~
HB 79Br µ = 9.66150161 ng = 4.49 eVa MAR 1976
HQ i7.58bc e HQ
A ln 33935.3 637.63 [o.496Jd (0.0090} [12.8] 1.87 A ~x, VR 33908.6 (l)* (2)*

r
(6)

a 3n~ 18851.48 757.10 HQ 4.8lf o.5083d 0.0036 [9. JJ 1.853 a...,.X, v 18887.55 z (5)* (7)*
Jn 0+ 18673.83 759.80 4.80 o.5062d 0.0036 18711. 25 z
x lE+ 0 684.31 HQ 3.52 o.4894d 0.0035 10.0 1.8882

c11>B12c (µ = 5.74166243) ng = 4.6 0 eVa MAR 1976

Theoretical calculations (2) predict a 4 E- ground state.

"B3scl µ = 8.37316664 D0O = 5.5 ev a MAR 1976

A ln 36750.92 849.04 HQ 11.37b 0.7054C o.00820d 16.0 9
1.6894 Af ~x, VR )6754.30 HQ (1)(2)(3)*
(5)(6)* (7)
(10)
a Jn 20200 911 5.7 0.6986 0.0047 1.698 a...,.X, v 20235.7 0 z (11)
1
x lE+ 0 839.12 HQ 5.11 0.6838C 0.00646 17.2g 1.7159
BaSi aThermochemical value (mass-spectrom.)(2), corrected to
a 1 E ground state.
bExtensive perturbations arising from successive vibra-
tional levels of three perturbing states or sub-states
of smaller B values. BCl1
cFrom perturbations in A 1 E+; vibrational numbering un-
known.
dµet(v) = [10.853 + 0.02l(v+~)] D.
(1) Barrow, Gissane, Rose, PPS 84, 1035 (1964).
(2) Colin, Goldfinger, Jeunehomme, TFS 60, 306 (1964).
(3) Clements, Barrow, CC (1968), 1408.
(4) Melendres, Hebert, Street, JCP 21., 855 (1969).
(5) Barrow, Burton, Jones, TFS§:]_, 902 (1971).
BBr1 ~rom the predissociation in A 1 n; see (3).
bw e y e = + 1.10, we z e = - 0.250. This state may have a
potential hump of rv 0.13 eV; see (3).
c~redissociation above v = 4 (1).
dThe rotational constants refer to the normal 79, 81 Br
isotopic mixture.
eRadiative lifetime ~(v=O, 1) = 26 ns (4), corresponding
to an absorption f 00 value of 0.10.
fw y ~ - 0.004.
e e
(1) Miescher, HPA ~' 279 (1935); 2, 693 (1936).
(2) Rosenthaler, HPA 1.J., 355 (1940).
(3) Barrow, TFS 2§., 952 (1960).
(4) Lutz, Hesser, JCP 48, 3042 (1968).
(5) Lebreton, Marsigny, Bosser, CR C ~' 1113 (1970).
(6) Wentink, Spindler, JQSRT 10, 609 (1970).
(7) Lebreton, JCPPB 1.Q, 738 (1973).
BC1 aThermochemical value (mass-spectrom.)(l).
(1) Verhaegen, Stafford, Drowart, JCP 40, 1622 (1964).
(2) Kouba, Ohm, JCP ..2J, 3923 (1970).
aExtrapolation of A 1 n; see (4).
bill e y e = - 0.100, we z e = - 0.0271.
cRKR potential curve (8).
d
fe = - 0.00050.
e f3e = + 2 • 7 x 10 -7.
fRadiative lifetime ~(v=O, 1, 2) 19. 1 ns (9); f 00 (A<E-X)
= 0.11.
gf.J = + o.7x10- 7 •
e
(1) Jevons, PRS A 106, 174 (1924).
(2) See ref. (1) of BBr.
(3) Herzberg, Hushley, CJR A 12., 127 (1941).
(4) See ref. (3) of BBr.
(5) Thrush, Nature 186, 1044 (1960).
(6) Verma, JMS 1, 145 (1961); CJP 40, 1852 (1962).
(7) Pannetier, Goudmand, Dessaux, Arditi, CR .f.2.§., 1201
( 1964).
(8) Gel~bart, Johannin-Gilles, CR B _gQz, 408 (1968).
(9) Hesser, JCP 48, 2518 (1968).
(10) See ref. (6) of BBr.
(11) Lebreton, Marsigny, Ferran, CR C _gig, 1094 (1971).

75
 76
State Te w
e
w x
e e Be ae De re Observed Transitions References
(lo- 6cm-1 )

9
(~{)· Design.
I voe

Be2 µ = 4 • .5060914 APR 1976

285.51~
A ( 1E+}
x lE+
u
502a
483b
6.8
4.5 I I I A~

Theoretical calculations give no evidence for a bound ground state (1).

X,
27670 (2)

9 Be,..0Ar+ µ = 7.3534172a APR 1976 A

A 2n r (24605) H o.6127b 1.934 A--+X, v 24708 H (1)(2)*
(24563) [570] 24666 H
x 2E+ 0 369 H 11 0.5271 b 2.085

9Be<19>Bt (µ = 8.088505.3) APR 1976

A 2n r 265.54 695 H .5.2 [0.5JJ2]b [1.31] [1.976] A-+X, R 26543.3 H (I)(2)* {.3)*
26353 a 702 H 4.4 26346.1 H
x 2E+ 0 715 H 3.8 [0 • .5459]c [1. Ji] [1. 95.3]
9 Be 35 Cl µ = 7.1654906 Doa
0 SEP 1976
R shaded emission bands in the region 37900- 38300 cm-l (J) are due to Al.Cl.. Unidentified
system ( v = 18686, w~ = .540, w; = .5.52) in emission {1); assignment to BeC.l not confirmed.
2E+ e b
B (4877.3) [9.52.5] z 0.7751 0.0043 [3.o]C 1.7422 B-+X, v 48827.6 z (6)* (8)*
A 2n r 27992.od 822.11 z 5.24 o.7094e 0.0068 2.J 1.8211 A+-+ X, R 27979.63 (2)* (J)(.5)*
x 2E+ 0 846.7 z 4.8.5 0.7285 0.0069 2.5 1.7971

9
Be 19 F µ = 6.112.5850 Dg= 5.85 or 6.26 eva APR 1976 A
R shaded double-headed emission bands in the regions 62900 - 64100 and 65860 - 66700 cm-1 • (9)
c 2E+ 50364.o 1419.7 H 9.9 1.570 0.014 1.32.5 C-+A, v 17253·7 (6)
C-+X, v 50440.86 z (9)*
B 2E+ 49563.9 lJ.50.8 H 12.6 [1.547] [1.335] B-+X, v 49605.6 z (9)*
A 2n r 33233.7b [11.54.67] z 8.78cHQ 1.42024d 0.0175 [8.4o]e 1.393.5 A+-+X, R 33187.13f z {l)* (2)* (J)
(4)(.5)(13)
x 2E+ 0 [1247.36] z 9.12cHQ 1.48893 0.0176 8.28 1.3610
 aln Ne matrix at 4 K. BeCL (continued)a
brn Ar matrix at 4 K. (1) Parker, PR 12, 752 (19J4).
(l) Bender, Davidson, JCP !±1., 4972 (1967). (2) Fredrickson, Hogan, PR 46, 454 (1934).
(2) Brom, Hewett, Weltner, JCP 62, 3122 (1975). (J) Novikov, Tunitskii, OS(Engl. Transl.).§., 396 (1960).
(4) Hildenbrand, Theard, JCP 2Q, 5350 (1969).
BeAr+ 1 aReduced mass of Be++ Ar.
(5) Colin, Carleer, Prevot, CJP 2Q, 171 :(1972).
bPreliminary results. (6) Burtin, These (U. Libre de Bruxelles, 1974).
(1) Subbaram, Vasudev, Jones, JOSA £2, 318 (1975). (7) Farber, Srivastava, JCS FT I 1Q, 1581 (1974).
(2) Subbaram, Coxon, Jones, CJP ..2J, 2016 (1975). (8) Carleer, Burtin, Colin, CJP j2, 582 (1977).

BeBrs aA 0 = +198.o. BeFa 8Mass-spectrometric values (7)(16).

bA-type doubling bA 0 = +21.82, A1 = +21.931 slight J dependence. A negative
details in (3). value of A has been ruled out by the calculations of (14).
cSpin splitting constant Oo = +o. 0242. cSlightly different constants in (5).
(l) Reddy, Rao, JP B 1, 482 (1968). dThe A-type doubling in the ! and t components (13) does
not follow the "pure precession" pattern for a re gular 2n
1

(2) Reddy, Reddy, Rao, JP BJ, Ll (1970).

(3) Carleer, Herman, Colin, CJP ..2J, 1321 (1975). state. An earlier explanation (10) of this "anomaly" has
since been revised (14).
BeCli ~rhermochemical values for ng
obtained by various methods eD = 8 • 2 6 x 10 -6 •
1
have been summarized in (7), all being close to 4.51 eV fJ'=t (average of F1 and {F 2}) relative to N"=O.
and substantially higher than a mass-spectrometric value (1) Jevons, PRS A 122, 211 (1929).
of J.99 eV (4). The interpretation (8) of an inverse (2) Jenkins, PR .J..2, 315 (1930).
predissociation assumed to be responsible for the (3) Mulliken, PR].§., 836 (1931).
strikingly high intensity of B-?X bands with v'=l sug- (4) Fowler, PR 2,2, 645 (1941).
gests an even lower value of J.45 ev. (5) Tatevskii, Tunitskii', Novikov, OS j, 520 (1958).
bA very weak head at 48502.7 cm-1 has tentatively been (6) Rao, Rao, IJPAP J, 177 (1965)~
identified as 2-3 bands ~G'(J/2) =1212.7 cm-1 • (7) Hildenbrand, Murad, JCP 44, 1524 (1966).
c
D1 =1.9 x 10 -6 • (8) Singh, Rai, IJPAP ~' 102 (1966).
d
Av= +52.8 - l.4(v+i). (9) Novikov, Gurvich, OS(Engl.Transl.) _gj, 173 (1967).
eThe A-type doubling in the i [~vef(v=O) ~-0.0ll(J+i)J (10) Walker, Richards, PPS .2,g, 285 (1967).
and f components does not conform with the "pure pre- (11) Katti, Sharma, IJPAP £, 458 (1968).
cession" pattern frequently observed in regular 2n
states; see (5). (continued p. 79)

77
 78
State exe Observed Transitions References
Te w w Be ae De re
e
(lo-4 cm- 1 } (i) Design. J voo

9
8e'H µ = 0.90645687 D00 = 2.034 eVa I.P. = 8.21 evb SEP 1976
G 2n 58711 405.3 z 22.7 5.02cd -o.556e [18]f 1.925 G+-X, R 57886.2 z (13)*
2
F E+(4po) (56606) (2153)g [10.576]h [8.o]f [1. 326] F~ X, 56661.24 z (13}*
E 2E+(4s6") (54134) (1970)g [10.578]i [22.4]f [l. 326] E+- X, 54097.6 z (13)*

ri:+
D 2n (Jd) (54000)
2/j,
Strong absorption, complex structure. D+- X, 54050 (13)*

B 2n ( 3p'iT) 50882j 2265.94 z 71.52 l0.8495k!d o.1016m [10.35]f 1. 3092 B~X, VR 50976.17 z (3)(13)*
A 2nr(2p'IT) 20033.19n 2088.58° z 40.14p 10.4567q 0.3222r 10.4ls 1.3336 A~X, t yu 20045.81° z (l)* (2)(9)*
2
x E+ ( 2p6') 0 2060.78° z 36.3lV l0.3164w 0.3030:1\ lo.221Y l.J426 ESR sp. z (10)
For theoretical calculations see references in ( 9) ( 11) ( 14) •

Be 1Hs ~rom the predissociation by rotation (13) in the B1 2n, 0

v +1 level (see!), assuming dissociation into Be( 1 P) +
1
H( 2s). The experimental X 2 E+ well depth of 2.16 eV is
1
in good agreement with the calculated values De= 2.11 eV
5
(11) and De= 2.15 eV (14).
bFrom the observation of Rydberg states in the absorption
spectrum, and from ab initio calculations for BeH and
BeH+; see (12).
CA-type doubling; for details see (13). R and P lines in-
volving v'=O and 1 are twice as broad as the correspon-
ding Q lines. v=2 is strongly perturbed.
d(l3) suggest that the B and G states result from an
avoided 2n - 2n crossing, the former (B 2n) having a
double minimum potential curve with a potential maximum
corresponding to Te= 56950 cm- 1 at r= 1.94 i.
y-e = -o. 040.
fFor additional Dv and higher order constants see (13).
gUsing isotope relations.
hPerturbation at low N. Higher vibrational levels are
probably predissociated.
iLine width increases with decreasing N; the first lines
are not observed.
j(l3) give 50888.57, without explanation. A~ 0.
kA-type doubling, lwef(v=O) = +0.217N(N+l).
tThe B~X bands (v'!f 2, and fragments of the 3-3 band of
Be 2H) consist of Q branches only except the 0-0 band which,
in absorption, has P and R branches showing a marked
broadening increasing with N. The predissociation mechanism
involves both the unobserved 3po state and the first ex-
cited 2 E+ state which is unstable except at very large r
Be-H lcon~inuea):
values; for details see {15}. The Q branch lines of
Be 1H (Be 2H) break off at N'=Jl, 24(38}, 14(27), (14) in
v'=0,1,2,J, respectively, owing to the presence of a
maximum in the B 2n potential curve; see d. Two ad-
ditional levels of Be 1H, very likely belonging to B 2n
but called B' 2n(v', v'+l) in (lJ), are situated above
the potential energy maximum in B 2ns
T B D
B' 2n, v'+l [584j5.8] 6.01 187x io-4 } and higher or-
B• 2n, v' [58284.8] 8.34 129xlo-4 der constants.
Transitions to these levels from X 2 ~+ consist of Q
branches only, breaking off at N'=l4 in v'+l.
mre = -0.1324.
nTaking into account the usually neglected contributions
Y
00 and Y00 to the zero point energies of A and x.
A (spin-orbit) =+2.1; for an ab initio calc. see (4).
0
nerived (9) from pure vibronic energy separations which
differ from the origins normally referred to in these
Pw y = -0.47.
e e I tables.
qA-type doubling, 6vef(v=0) = +O.Ol41N(N+l) - ••• r higher
order constants in (9). Theoretical calculations (7)(8).
rre = -0.0042.
sHigher order constants in (9).
BeF (continued)•
(12) Mishra, ·Khanna, IJPAPz, 63 (1969) •
(lJ) Walker, Barrow, JP B g, 102 (1969)
tTheoretical absorption oscillator strengths (5)(6).
uReversal of shading in some of the bands.
vw e y e = -0. J8.
wSpin splitting constant to=+o.005.
x'te = -o. 0027. 4
Yf3e = -o. OJ9 x 10- ; higher order constants in ( 9).
zin Ar matrix at 4 K (10).
(1) Watson, Parker, PR J.Z, 167 (1931).
(2) Olsson, ZP 1..2, 732 (1932).
(J) Watson, Humphreys, PR ..2,£, JIB (1937).
(4) Walker, Richards, PR .!1.Z, 100 (1969).
(5) Henneker, Popkie, JCP .2!±, 1763 (1971).
(6) Popkie, JCP 2±., 4597 (1971).
(7) Hinkley, Hall, Walker, Richards, JP B j, 204 (19i2).
(8) Hinkley, Walker, Richards, JP B j, 2016 (1972).
(9) Horne, Colin, BSCB 81, 93 (1972).
(10) Knight, Brom, Weltner, JCP 2§., 1152 (1972).
(11) Bagus, Moser, Goethals, Verhaegen, JCP ..21, 1886 (1973).
( 12) Colin, De Greef, Goethals, Verhaegen, CPL £2, 70 ( 1974).
(13) Colin, De Greef, CJP .i:l, 2142 (1975).
(14) Meyer, Rosmus, JCP .2J, 2356 (1975).
(15) Lefebvre-Brion, Colin, JMS .§j, JJ (1977).
(14) Walker, Richards, JP B ], 271 (1970).
(15) Rai, Singh, SpL ~' 129 (1971).
(16) Farber, Srivastava, JCS FT I 1Q, 1581 (1974).
79
 80
State Te w
e wexe Be «e De re Observed Transitions References
c10-4cm-1 ) (i) Design. } voo

9
Be 2 H µ ~ 1.64619882 D0o = 2.0 66 eV a SEP 1976
G 2n 58?50 302.5 z 23.6 [2.747]bc [lO]d [1.931] G+X, R 58134.9 z (J)
F 2I:+ (56606) (1598)e [5.879] [3.01]d [1.319 8 ] F+X, 56644.87 z (3)
E' ( 2E+) [54230.2]f (5.26o]f [1.395]f E'+- X, 50533.0f z ( 3)
E 2I:+ (54135) (146o) 0 [5.745]g (3.8] [1..335] E+- X, 54104.9 z (J)

D 2nrE+
2Ll
(54000) Strong absorption, complex structure. D+-X, .54050 (J)

B 2n 50906 1646.22 z 25.15h .s.9963ij o.1217k [3.114]d l.J068 B+- X, v 50963. 02 z (3)
A 2Il 20036.11.t. 1551.l.J z 23.00 .5.7614m o.1344n [J.181)1 1.3332 A~X, v 20045.91P Z (l)* (2)
r
x 2I:+ 0 15JO.J2 z 20.71 5.6872 o.1225q J.1J8r 1.3419

9Be 3 H µ = 2.25978267 D0O = 2.08 eva APR 1976

A 2n
r 20037.91b 1322c 16c 4.192 o.o6ad (1.66] 0
l.JJ4o A...,.X, v 20045. 8Jf z (1)
x 2E+ 0 1J05c 15c 4.142 o.o64g [1.67]e i.342 0

9Be 1H+ D0o = 3.14 eva APR 1976

A lE+ 39417.0 1476.1 z l4.8b 7.184 0.12.5C 6.1 1.6089 A+X, d R .39050.4 z (l)(J)
x lE+ 0 2221.7 z 39.79° 10.800 o.294f 9.9 1.3122 Theoret. calc., pot. curves (4)(5)(6)
I
9Be 2H+ 0
D0 = 3.18 eVg APR 1976
A lE+ 39416.2 1096.4 z 8.5 J.971 0.057 8 1.9 1.6059 A...,.X, R .3914J.9 z (2)
x lE+ 0 1647.6 z 21.9 5.955 2.9 1.3113
I 0.123.3
I
Be 2Hs aFrom the value for Be 1H. Be3Hs ~rom the value for Be 1H.
bAverage from P,R and Q branches. Transitions to v'=l bSee n of Be 1H.
and 2 consist of Q branches only, strongly perturbed cFrom isotope relations. w~ - w~ 16.36, w~x~ - w~x~
for v'=2. The Q branch constants are given by B~ o.84, w~y~ - w~y~ = - 0.15.
2.197 + l.205(v+~) - 0.167(v+~) 2 • d
re= - 0.007.
csee d of Be 1H. eAdditional Dv and higher order constants in (1).
dAdditional Dv and higher order constants in (3). fsee P of Be 2H.
eUsing isotope relations. gre = - 0.006.
funidentified single level, vibrational numbering un-
(1) De Greef, Colin, JMS .2J., 455 (1974).
known. In absorption from v"=2.
gSee i of Be 1H. Be 1H+, Be 2H+s
hinclusion of v=J changes these constants to we
aDO(Be 1H) + I.P.(Be) - I.P.(Be 1H).
_1607.29, wexe = - 5.32, weye - 6.77. b 0
1
weye = - O.J8; - 0.038 in (3) is obviously wrong.
A-type doubling, flvef(v=O) = + 0.074x N(N+l).
cie = - 0.0054.
jsee d and t of Be 1H.
dTheoretical oscillator strength (7).
kOe = - 0.0089 (v~2); recalculated from (3).
ew y = - 0.21; - 0.021 in (3) is obviously wrong.
tsee n of Be 1H. A ~ + 1.9. f e e
re - 0.0049.
mA-type doubling, flvef(v=O) = + 0.00419xN(N+l) - ••• ; gFrom the value for Be 1H+.
additional constants in (2).
n
re = - 0.0003. (1) Bengtsson-Knave, NARSSU (IV)~' No. 4, 65 (1932).
°For additional Dv and higher order constants see (2). (2) See ref. (1) of Be 2H.
Ppure vibronic energy difference, not to be confused (J) See ref. (3) of Be 1H.
with the band origin as usually defined in these (4) Reed, Vanderslice, Jene, JCP J1., 205 (1962).
tables. See (2). (5) Brown, JCP 21,, 2879 (1969).
qae - 0.001. (6) Banyard, Taylor, JP B ~' Ll37 (1975).
r f3e = - 0. 022 x 10 -4 ; higher order cons tan ts in ( 2 ) • (7) Stewart, Watson, Dalgarno, JCP .2.J., J222 (1975).

(1) Koontz, PR 48, 707 (1935).

(2) See ref. (9) of Be 1H.
(3) See ref. (13) of Be 1H.

81
 82
State Te w wexe Be «e De re Observed Transitions References
e
( io- 6cm-1 ) (i) Design. l voo
9 Be 12.1 1 µ .= 8.4146148 SEP 1976

A rn
[o.4182] [0.80] [2.1887] R 23900.83 z
2 3/2 A-+X, (l)* (2)
Il1;2 23544.7 603.8 H 2.1 [o.4216]a [ o. 73] [2.1799] 23540.59 z
x 2r;+ 0 611.7 H 1.6 [0.4219]b [0.82] [2.1791]

9 Be<8,,.>Kr+ (µ = 8.1376909)a APR 1976 A

A 2n 23857 557 H 3.5 A-+X, 2)954
v 23789 H
(l)*
23692 H
x 2i;+ 0 J64 H 5.4
9 8e'60 µ = 5.764)2735 ng = 4.6 0 eVa APR 1976
-1
Fragments of additional singlet and triplet systems in the region 29000 - 33000 cm • (1) (4) (10)*
c (lE) 39120.2 1081.5 (HQ) 9.1 (1. JOB) (0.010) (1.495) C-+ A, b R 29683.1 (HQ) (5)(10)*
B li;+ 21253.91+ 1370.82 z 7.746° 1.5758de 0.0154 8.4lf i.3623 B-+A,g v 11961. 78 z (10)
(1)(2)(7)
Bh~x, i R 21196.70 z (10)(13)*
b JE+ j (16)
A ln 9405.61 1144.24 z 8.415k 1.3661.tde o.01628m 7.79n 1.46)1 A-+X, R 9234.92 (J)(6)*
z (10)* (9)
a Jn {8480) 0
x lE+ 0 1487.32 z ll.830P l.6510e 0.0190 a.2oq 1. 3309 For computed ground
state properties see (17)(24).

Be I 1 aA-type doubling, f:J.v fe = +o. 0938 ( J+i-). BeKr+ 1 aReduced mass of Be++ Kr.
bSpin splitting constant to= +0.0459. (1) Subbaram, Coxon, Jones, CJP .iJ., 2016 (1975).
{l) Murty, Rao, CS 1§., 187 (1969)1PRIAA1£, 71 (1972).
(2) Carleer, Colin, to be published.
Be01 aThermochemical value (mass-spectrom.)(14); in good BeO (continued)1
agreement with 4.52 eV derived from an ab initio cal-
(1) Bengtsson, AMAF A 20, No. 28 (1928).
culation (24) of X 1 E+. Extrapolations of X and A to
(2) Rosenthal, Jenkins, PR JJ, 163 (1929).
their common limit Be( 1s) + o( 1D) lead to J.9 and 4.8 2
(3) Herzberg, ZP 84, 571 (1933).
eV, respectively (12). A considerably higher thermo-
(4) Ciccone, Rise (VI) ~' 3 (1935).
chemical value of 5.51 eV was determined by (11).
(5) Harvey, Bell, PPS !±1, 415 (1935).
bFranck-Condon factors (22).
(6) Lagerqvist, Westoo, AMAF A Jl, No. 21 (1945).
cw y = -0. 00027.
(7) Lagerqvist, Westoo, AMAF A Jg, No.10 (1945)~
dN~m:rous perturbations between levels of A 1 n and B 1 L, (8) Lagerqvist, AMAF A JJ, No. 8 (1946).
A 1 n and x lE as well as perturbations by unidentified
' (9) Lagerqvist, AMAF B J!±, No. 23 (1947).
levels [probably belonging to a Jn and b J E, see ( 20) ].
(10) Lagerqvist, Dissertation (Stockholm, 1948).
For an extensive treatment see (6)(7)(8)(10).
(11) Drummond, Barrow, TFS 12,, 599 (1953).
eRKRV potential curves (21).
(12) Lagerqvist, AF 1, 473 (1954).
ffae= -o.07x l0- ; Hv= +[27- 2(v+~.)]x lo- •
6 12
(13) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
gVery weak system. (14) Chupka, Berkowitz, Giese, JCP JQ, 827 (1959).
hRadiative lifetime 'r(v=O) = 90 ns (25): f 00 = O.OJJ5. A
(15) Nicholls, Fraser, Jarmain, McEachran, ApJ 1:..}!, 399
much smaller value, f 00 (B- X) = 0.00194, was estimated
from shock tube measurements (19).
(16) Thrush, PCS (1960), p. 339. I (1960).
(17) Yoshimine, JCP 40, 2970 (1964): JPSJ £2, 1100 (1968).
iFranck-Condon factors (15)(22): approximate electronic
(18) Verhaegen, Richards, JCP !£2, 1828 (1966).
transition moments, band oscillator strengths (19).
(19) Drake, Tyte, Nicholls, JQSRT 1, 6J9 (1967).
jThe theoretical calculations of (18) place the JE+ state
(20) Huo, Freed, Klemperer, JCP 46, 3556 (1967).
at 4100 cm- 1 below B 1 E+, in rough agreement with (2J)
(21) Thakur, Singh, JSRBHU 18, 253 (1968).
who calculate its energy at 15400 cm-l above X 1 E.
(22) Liszt, Smith, JQSRT 11, l04J (1971).
kw e y e =+0.0JJ9.
(2J) O'Neil, Pearson, Schaefer, CPL 10, 404 (1971).
"'A-type doubling, t:,.vfe=+0.00055J(J+l).
(24) Schaefer, JCP 2.2., 176 (1971).
m~ = +0.000055.
n e 6 (25) Capelle, Johnson, Broida, JCP ...2.Q., 6264 (1972).
fae = -0. 044 x 10- (26) Pearson, O'Neil, Schaefer, JCP 2§., 3938 (1972).
oTheoretical calculations (20)(18) place the Jn state at
920 to 2600 cm- 1 below A 1 n, in reasonable agreement
with (26) who predict it at 5900 cm-l above X lL+.
Pwy =+0.0224.
e e -12
/Ve ~ -0.01: Hv = +[12.5-1.l(v+~)]x 10
qA. •

83
 84
State Te w w x
e e Be «e De re Observed Transitions References
e
(lo- 6cm- 1 ) (i) Design. I voo

9Be32s µ = 7.0J04599 0
Do = J.8 eVa APR 1976
{ 25961.8 H
b (Jn) (b~a), R 25941.8 H (2)*
25924.5 H
B lE+ 25941.6 851.J5 z 4.85 0.72894 o.oo6o4b 2.14 I l.81J68 B~X, R 25868.61 z (1)(2)*
c (16) [1J545.8] 0 [660.7]C 5.5 [0.596J]C 0.0069 [2.005]C
A ln 7960.1 762.46d z 4.12 o.659odef o.00605g 2.00 1.9075 A-+X, R 7842.9d z (2)
a (Jn)
x lI:+ oh 997.94 z 6.1J7 0.79059 o.oo664i 2.00 l.7415J

9Beo32>xe + (µ = 8.4J53358)a APR 1976

2227J 22360 H
A 2n 21922 545 H 3.9 A_,.X, v 22009 H (l)*
x 2I:+ 0 J71 H J.7

11 B19F µ = 6.97018J25 D00 = 7.8 1 eva I.P. = 11.115 evb APR 1976

Rydberg series (abs.) beginning with D, J, P, ... I

v(l-0)
V(0-0)
=
= 913JO} R/( O 52 )2 {n 618.
89650 - n- • n ~ 15. (24)*

Rydberg series (abs.) beginning with C, I, o, ... I

v(l-0)
V(0-0)
=
= 91330} - R/(n-0.66) 2t n ~ 9.
89650 (24)

R 1 E+(6so)c[85848] R+- X, v 85150 H (24)

P 1n (5p'IT) 84077 [167J] HQ [1.6511Jd [6.4]d [1. 2103] P~X, v 84215 HQ (24)
0 1 E+(5pfi) 83680.2 1676 H 9.5 [1. 627 5] [5.6] [1.2190] Q(- x, v 83817. 71 z (24)
L 1E+(5sfi) [83348.32] [1. 5578] [-21.3] [1. 2460] L~X, v 82650. 21 z (24)
1
J n (4pT) 80544
h Jn 802JO
[1673.0~] z
[1679.2 HQ
l.6516e
[l.6475]f
0.0162 I [[6.2]
6. 5] 1.2101
[1.2116]
J~

h-+b,
x, v 80681.98 z
v 19225. 28 z
(24)
(24)
I lI:+ ( 4p6') 79631.39 1666.28 z 12.57 1.6382 0.0174 [6.4] 1.2150 I+- X, v 7976J.28 z (24)
H 1 E+(Jdo) [79389.32] [1.6511] .[13. 0 ] [1. 2103] H"'°" X, v 78691.21 z (24)
BeSc 8?rom Gaydon (4). BFs ~hermochemical value (mass-spectrom.)(15)(18). Extrapo-
b
fe = - 0.00003. lation of A 1 rr gives 8.0 2 eV (9).
cConstants for the lowest observed level and interval, vi- bExtrapolation of Rydberg series; 11.06 eV by electron
brational numbering unknown. From perturbations in A 1 rr. impact ( 26) •
dVibrational numbering uncertain. cApproximate description of the Rydberg electron (24);
eConstants for the f component; 6.vfe ~ + 0.00015x J(J+l). see also (17).
fThe A 1 rr state is perturbed by three states, one of them dComputed from the data for 10 B19Fs B0 = 1.7551, n0 =
being X 1 E+, another probably 1 6.. 7.2x l0- 6 , 6.v f = + O.Ol46x J(J+l).
e e
gte = + 0.000025. /vef = + 0.005 6 x J(J+l) -
hTheoretical calculations (3) support a 1 E ground state. 6.vef = + 0.0024x N(N+l).
ire = - 0.00002.
(continued p. 87)
(1) Gissane, Barrow, PPS 82, 1065 (1963).
(2) Cheetham, Gissane, Barrow, TFS 61, 1308 (1965).
(3) Verhaegen, Richards, PPS .2.Q, 579 (1967).
(4) Gaydon, DISSEN (1968).

BeXe+, aReduced mass of Be++ Xe.

(1) Coxon, Jones, Subbaram, CJP ..21, 2321 (1975).

85
 86
State Te w w x
e e Be ae De re Observed Transitions References
e
(lo- 6 cm- 1 ) (i) Design. l voo

11
B' 9F (continued)
g 3E+ [ 78771. 9 J [1.6765]_. [5.1] [1.2011] g+b,g v 16927 .59 z (24)
F 1 rr ( 3d'ii) (77406)
1
(167o)h [1. 6723J J [8.9] [1. 2026] F-+A, v 26454.13 (12)*
F+X, v 77542.79 z (24)
f 3rr 77405 [1678.l] z [1. 6417]k [5.0] [1.2133] f~c, v 10428.15 z (24)*
f-+b, v 16400.10 z (24)
G 1 E+(4s6) 76952 [1685.63] z 1.6054 0.0147 [1.2]1, 1.2274 G-+B, R 11596.99 (12)*
G++X, v 77096.41 z (10)(24)*
E 1 t. (3d<S) (76292) (158l)h [1.6209]m [6.4] [1. 2215] E-A, v 25295.69 z (12)* (24)*
e 3E+ 75916 [1654.29] z 1.6447 0.0151 [6.3] 1.2126 e-b,g 14899.56 z (12)* (22)
(24)*
D 1n (3p'lr) 72144.42 [1661. 96] z 11.7 HQ l.6282n 0.0170 [6.3] 1.2188 D+-+X, v 72286.06 z (4) (5) (10)
(24)*
d 3rr 70710.4 1696.71 z 11.01 l.6517°P o.0176q [6.5] 1.2101 d-+-b, 9711.65 z (24)*
C lE+(3p6') 69030.38 1613.1 0 z 14.50 1. 6238 0.0194 [7.3] 1. 2204 c-..A, v 18046.53 (12)*
c~x, v 69135.19 z (4) (5)* (10)
(24)
c JE+ 67045 [1541. 3] z [1. 603 0Jr [5.5]r [1.2283] c-+a, v 38011. 97 z (2) (8) (16)
B 1E+(3so) 65353.93 1693.51 z 12.61 1.6590 0.0178 [7.6] 1. 2074 B-+A, v 14410.76 (12)*
B~X, v 65499.42 z (4) (5)* (10)
(24)
b 3E+ 61035.3 1629.28 z 22.255 1.6385 0.0200 8 [7.0] 1.2149 b+a, t v 32040.42 z (1)(2)(3)*
(6) (8) (16)
A 1n z u l.4227v O.Ol80w [7.J] 1. 3038 Ax~x,Y R 51088 .66 z (4)(5)* (7)
51157.45 1264.96 12.53
(11)* (24)
a 3rr 29144.3z z 9.2oa' b' 0.0158 [6.3] a-+-X, 29105.8 z (28)
r 1323.86 1.4135 1. 3081 R

X 1E+ 0 1402.13 z 11.84

c' [1. 507235] 0.0198 [7.6] 1. 26259 Microwave sp. d' (27)
BF (continued)s
gHeadless band. (1) Dull, PR !±1, 458 (1935).
hEstimated from observed isotope shifts. (2) Strong, Knauss, PR !±2,, 740 (1936).
. ef = + o. 0423 x J( J+l) -
it.v (3) Paul, Knauss, PR~' 1072 (1938).
JLines with J' ~ 6 are weak or. absent, both in emission and (4) Chretien, Miescher, Nature 1£.J., 996 (1949); HPA 22,
in absorption. 588 (1949).
kt.v f = - o.0289xN(N+l) + (5) Chretien, HPA _g], 259 (1950).
l e -6
D1 22. 8 x10 (6) Dodsworth, Barrow, PPS A 68, 824 (1955).
mt.vef ~ - 4x l0-7J2(J+l)2. (7) Onaka, JCP '.?:J..., 374 (1957).
nbvef = + o.0009x J(J+l). (8) Barrow, Premaswarup, Winternitz, Zeeman, PPS 11, 61
0
t.vef = + O.OOllxN(N+l). ( 1958).
PThe emission from v=4 consists of Q branch lines only. (9) Barrow, TFS 2§., 952 (1960).
qoe = + 0.0002. (10) Mal'tsev, OS(Engl. Transl.) 2, 225 (1960).
rFrom (24). Barrow et al. (8) give B0 = 1.605 2 , D0 = 8.2x (11) Verma, CJP J.2., 1377 (1961); 40, 1852 (1962)[Erratum].
lo- 6 • (12) Robinson, JMS 11, 275 (1963).
st, = - 0.0012. (13) Nesbet, JCP 40, 3619 (1964); .!±}, 4403 (1965).
t e
Franck-Condon factors (21). (14) Huo, JCP !±J., 624 (1965).
uweye 0.24 2 • This state may have a potential hump of,...., (15) Hildenbrand, Murad, JCP !±J, 1400 (1965).
0.2 2 ev. (16) Krishnamachari, Singh, CS ]1_, 655 (1965).
vt.v ef ~ - o.0002x J(J+l). (17) Lefebvre-Brion, Moser, JMS 1.,2, 211 (1965).
wre = - 0.00040. (18) Murad, Hildenbrand, Main, JCP !±j_, 263 (1966).
xRadiative lifetime ~(v=0,1,2) 2.8 ns; f 00 o.40 (20)(23). (19) Hegstrom, Lipscomb, JCP !±j_, 2378 (1966); 48, 809
YFranck-Condon factors (25). (1968).
ZA = + 24.2 • (20) Hesser, Dressler, JCP !±j_, 3149 (1966).
5
a'w y = + 0.047. (21) Pathak, Maheshwari, IJPAP j, 138 (1967).
b' e e
A-type doubling; see (8). (22) Czarny, Felenbok, CPL~' 533 (1968).
C'w y = + 0.056• (23) Hesser, JCP 48, 2518 (1968).
d'µ:tCv=O) = 0.5 D. Values of eqQ(lO,llB) in (27). For compu- (24) Caton, Douglas, CJP 48, 432 (1970).
ted ground state properties see (13)(14)(19). (25) Wentink, Spindler, JQSRT 10, 609 (1970).
(26) Hildenbrand, IJMSIP 1, 255 (1971).
(27) Lovas, Johnson, JCP jj, 41 (1971).
(28) Lebreton, Ferran, Marsigny, JP B ~' L465 (1975).

87
 88
State Te w
e
w x
e e Be "'e De re Observed Transitions References
(10-Jcrn- 1 ) (i) Design. l voo
11
B'H µ = 0.92330324 D0O= 3. 4 2 eV a I.P. = 9.77 evb APR 1976 A
(5d) 1
Fragments in the region 74420 - 74523 crn- • 5d~ x, (7)
K 1n (4d) Fragments only. K-t-X, 71840 (7)
J lE+ (4p) II II
. J+- x, 70040 (7)

rA,
I lE+ 4s [11.99]C [1.2J4] I+-X,d 67395.8 z (7)(22)
4J345.7 z
H lA }
G 1n
F 1E+
3d [12.25 Jc
5 [1.2206]
H~ X,

G~X,
66419.7
66399.3
z
z )(?)• (22)
F+- X, 66079.5 z
E lE+} {E~X, 61872.3 z
3P [12.321] [1.3] [1.2173]
D 1n D._X, 61105.4 z }<7)*
C 1 E+ 55281.1 2474.72 z 54.42 4 e 12.410f o.432 [l.247Jg 1.2129 c-A, v 32259.7 8 z (4)(13)
c.- X, d 55333.69 z (7)
B 1E+ Js 52335.8 2399.91 z 69.519 h 12.339 1 o.485j l.26k 1.2164 B-+A, v 29272.73 z (4)
B-X, d 52346.69 z (?)* (lJ)
c Jr;+ J,

c• 1 ti 45981.0 2610.02 z 46.62 12.757 0.390 l.219m l.196J C'++A, V 23029.21 z (lJ)*
b Jr;(-) [12.126] [1.28] [1.2271] b~a, R 27060.8 z (1)(2)
A 1n 23135.8 2250.99 z 56.66 5n 12.295 opq
2 0.834/ [1.45l]g 1. 2186 As 4':-+X, Ry 23073. 96 z (l)* (2) (5)
(13)*
a Jn t [12.667]U [1.22] [1.2006]
x lr;+ 0 2366.90 z 49.39 5v 12.02lw o.412 l.242x 1.2324 Summary of theoretical calculations1
see ref. in (12)(14)(20)(23).
B1H1 8From the predissociation by rotation in A 1 n (13)J see P. ~ 9 L(v=O) = 0.58 D (15).
The estimated height (see n) of the potential hump in r+ 0.132 2 (v+~) 2 - 0.05188(v+t) 3 •
A 1 n was subtracted from the extrapolated energy of the 9
Radiative lifetime 7:= 159 ns; f 00 = 0.035 (17).
potential maximum. Good agreement with theory [(9), tA 0 = + 5.95. Theoretical estimates of Te range from 2800 to
additional results summarized in (23)]. 9700 cm- 1 ; .see the summary in (14), also (19).
bFrom the observation of Rydberg states in the absorption uA-type doubling; see (2).
spectrum (7); theoretical computations (21) give 9.53 ev. vw y = + 0.364·
w e e
cThe rotational constants for the 4s state and the 3d com- µet(v=O) = 1.2 D (15). Theory (8) predicts a large negative
7
plex were re-determined by Johns and Lepard (22) using a rotational magnetic moment of - 8.27 µN.
model which gives proper consideration to the effects of xfoe = - 0.026x lo-3. Higher order constants in (13).
s rvd mixing. Ginter ( 10) obtained effective constants for (1) Lochte-Holtgreven, van der Vleugel, ZP 1.Q, 188 (1931).
the four states involved. (2) Almy, Horsfall, PR ..2J:, 491 (1937).
dNearly undegraded, headless band.
(3) Herzberg, Mundie, JCP ~' 263 (1940).
el.ll e y e = + 0.22 8 •
(4) Douglas, CJR A 12., 27 (1941).
f Predissociation in v=2 for J > 8. v=3 perturbed at low J. (5) Thrush, Nature 186, 1044 (1960).
gAdditional D and higher order constants in (13). (6) Hurley, PRS A 261, 237 (1961).
h v
• weY e = - 3 • 927" (7) Bauer, Herzberg, Johns, JMS 11, 256 (1964) •
.l-Theore ti cal cal·cula tions ( 16) ( 18) predict a double mini-
(8) Stevens, Lipscomb, JCP 42, 3666 (1965); ref. (19) of BF.
mum potential curve. (9) Ellison, JCP 1.], J654 (1965).
jr = - 0.0424 • (10) Ginter, JCP 44, 950 (1966).
fo = + O.lOxlO -3 ; Ho=+ 0.5 6 xlO -9 •
k e
(11) Grimaldi, Lecourt, Lefebvre-Brion, Moser, JMS 20, 341
LT~e lowest 3~+ state, Te ~ 51700 (11)(18), is predicted (12) Cade, Huo, JCP !±1, 614 (1967). I (1966).
(18) to be Rydberg-like (3so) and quasi-bound at small (13) Johns, Grimm, Porter, JMS 22, 435 (1967).
internuclear distances, but valence-like and repulsive
(14) Harrison, Allen, JMS £2, 432 (1969).
(dissociating into ground state atoms) for separations (15) Thomson, Dalby, CJP !±1, 1155 (1969).
larger than 1.45 i.
(16) Browne, Greenawalt, CPL 1, 363 (1970).
mfo = - o.02ox lo-3; H ~ l.OOx lo- 7 •
e e (17) Smith, JCP j1, 1)84 (1971).
nw e y e = - 15.83 0 • This state has a potential hump (3)(13)
(18) Pearson, Bender, Schaefer, JCP .25., 5235 (1971).
of approximately 0.155 eV (6)(19). (19) Blint, Goddard, CP J, 297 (1974).
0A-type doubling, 6vef = + [0.0389 - 0.0027(v+!)]J(J+l).
(20) Banyard, Taylor, JP B ~' Ll37 (1975).
Ppredissociation by rotation. J' of the first missing or
(21) Griffing, Simons, JCP 62, 5J5 (1975).
first diffuse lines1 v'=O 1 2 3 (22) Johns, Lepard, JMS .25., J74 (1975).
em. /abs. 1 27/30 21/24 14/17 - /6 (2J) Meyer, Rosmus, JCP £1, 2356 (1975).

89
 90
State Te we wexe Be ~e De re Observed Transitions References
cio-Jcm-1 ) (i) Design. 1 voo

11B2H °= J.46 eVa

H l~
G lrr
F lr:+
}
Jd
µ = 1. 70261633 D0

[6.6J5] [1. 2216]

rx, G~ X,
F+- X,
66448.0
66362.8
66068.6
z
z
z
APR 1976

}2)*
E li:+}
Jp [6.736] [o.4] [1. 2124] {E+- X, 61852.8 z
}<2)*
D 1n D-t- X, 61110.2 z
B 11:+ z c o.4d B~ X, e
Js 52J48b [1700.J4] 46.6 6.705 0.195 1.2152 52360.21 z (2)*
A 1n 23142 [1594.0 8 ] z (43) 6.648f 0.280 o.403g 1.2204 A-+X, YR 23098.75 z (1)(2)
x lr:+ h
0 [1703.26] z (28} 6.542 0.;171 o.4 2 1.2)02

11 B'H+ D0O = 1.95 ev a APR 1976

A 2 rr r b [11. 565]C [1. 24 J [1.2565] A,X, R 26376.2 z (1)

x 2r:+ 0 [12.J74] [1.25]d [1.2147]

<n>B121 1 '2.. (µ = 10.1)04606} APR 1976

Absorption bands in the region .35870 - )7590 cm- 1 have been attributed (1) to BI, but
are almost certainly due to BC! (A<. X}.
l
B 2H1 aFrom the value for B1H. B1H+s a Do0 (B 1 H) + I.P. (B) - I.P. (B 1 H).
bLarge electronic isotope shift; see (J). bA = + 14.o.
co
d e
= - 0.014.
-9
CA-type doubling, 6.vef ~ + O.Ol64xN(N+l)
8
- ... .
Ho=+ O.J5xlO • dH =
0 + 6.9 x io- •
eHeadless bands. (1) See ref. (2) of B1H.
fThunberg's (1) value of 6.653 was derived from R and P
branches only; b.vef- + O.Ol02x J(J+l). BI1 (1) Briggs, Piercy, SA A £2., 851 (197J).
g /3 = + 0 • 0 34 x 10 - 3 •
h e -3
foe=-o.o x10.
5
(1) Thunberg, ZP 100, 471 (1936).
(2) See ref. (7) of B H.
1
(J) Bunker, JMS 28, 422 (1968).

91
 92
State a Te we wexe Be «e De re Observed Transitions References
(lo-9cm- 1 ) (i) Design. I voo

209Bi2 µ = 104.490201 DO
0
= 2.04 eV b MAY 1976 A
y x + 15746.3 94.7 H 5.2 y-tx, R 15741.4 H (9)
x x 103.2 H 2.4.5 I I I
Fragments of several absorption systems in the region 44800 - 52900 cm- 1 • (1)(2) (10)
D (42228)c 129 H 9.7 I I I 'D+- (A) c, R 24485 H (l)*
Three diffuse absorption bands at 4011.5, 4027.5, 40467 cm -1 • (1)
c 364.56 d H 2.3e C~ X, R 36447 H (l)* (2)
1.5.5·2
I
H
33216.7
[3z657.1]
156.4
Only v'=O.
H 6.1 I I I !_.A,
H~A,
v 15487.9
v 14851.6
H
H
(8)*
(8)*
Continuous absorption with maximum at 32000 cm -1 • (1)
G (z9609.o)f 107.0f H 0.2 G -t (A) f, R 11857.0 H (8)*
E (Z6.504.7) (63.5)g ( 8 • .5) (O.Ol425)g (0.00015) E-+B, 2147 0. 9h ( z ) (11)
0.302 1
o+ J,
A u 17739.3 132.49 H o.01968jk 0.000053 2.863 At-+ X, R 17719.Z H (l)* (Z)(4)
(8)* ( 11)
A' (8000)m 141.2 o.37n
B {.5000)m 127.05 0.29° (0.01790) (0.000046)
x lE+
g
0 m 172.71 H o.341P [o.02z7a1]k o.000055q [l.50] z.6596
x• (-l.500)m 154.J o.4z

Biz• ~he state designations adopted in the Biz table agree with those of (11). They are compared below with designations used
elsewhere a
This table, and ( 11) 1 x· x B A' A E G H I c D
(l)l A B c D
( J) I x B D E
(4) I x A
(7)1 x A c D
( 8) I x A G H I D E
Bi 2 (continued)1
bThermochemical value (mass-spectrom.)(5)(6), calculated
for a 1 E ground state and disregarding other low-lying
states.
cContrary to the conclusion of Almy and Sparks (1) that
the violet system involves low vibrational levels of A,
Gerber and Broida (11) consider it more probable that the
absorption originates in high vibrational levels (v" ~ 20)
of X', thereby reducing Te to approximately 26000 cm- 1
Additional unassigned diffuse absorption features in the
region 22000 - 24000 cm- 1 •
d(2) give we = 146.o, wexe = 0.50. All bands except those
with v • = 1 are diffuse. Observed to v' = 4. At shorter
wavelengths are additional features probably belonging to
C.._ X but not assigned by ( l).
eThe value of wexe given by (1) is clearly 2wexe. The con-
stants listed above take account of this correction.
fGerber et al. (11) have found very similar constants (w e
= 105.6 8 , wexe = 0.63) for the lower state of an uniden-
tified transition in the laser photoluminescence spectrum
and have tentatively identified this lower state with the
upper state of Reddy and Ali's (8) G-+A system. They sug-
gest that the emission from G involves high vibrational
levels (v" Rl 50) of X, rather than v=O, ••• ,4 of A, and they
estimate Te ~ 20000.
gConstants derived from intensity data; see (11).
hRecalculated from data in (11).
iw e y e = - 0.0021, we z e = + 0.000055 (8). Slightly different
constants in (1)(11).
jExtrapolated from B8 , B , B11 (4).
9
kRKR potential curves (7a)(ll).
J,
n8 = 1.7lx lo -9 •
mAll four states give rise to long lower state progressions
in the laser photoluminescence spectrum of Bi 2 ·c 11). Their
relative energies were estimated (11) from the temperature
dependence of the photoluminescence intensities. The' upper
levels of the transitions, except those belonging to A and
E, could not be identified.
nw e y e - 0.001 •
9
0
we y e o.oo;i..
Pweye 0.0018, weze = + 0.00001 0 (8). Slightly different
constants in (1)(11).
qFrom the laser photoluminescence spectrum (11), adjusted
for best overall fit of observed with calculated intensi-
ties.
(1) Almy, Sparks, PR 44, 365 (1933).
(2) Nakamura, Shidei, JJP 10, 11 (1935).
(3) Herzberg, MOLSPEC 1 (1950).
(4) islund, Barrow, Richards, Travis, AF JQ, 171 (1965).
(5) Kohl, Uy, Carlson, JCP !±1, 2667 (1967).
(6) Rovner, Drowart, Drowart, TFS .2.J., 2906 (1967).
(7) DONNSPEC (1970).
(7a) Rao, Lakshman, IJPAP ~' 785 (1970).
(8) Reddy, Ali, JMS J...5., 285 (1970).
(9) Singh, Nair, Rai, SpL ~' 313 (1971).
(10) Topouzkhanian, Sibai, d'Incan, ZN _g2_ a, 436 (1974).
(11) Gerber, Sakurai, Broida, JCP 64, 3410 (1976)1
Gerber, Broida, JCP 64, 3423 (1976).
93
 94
State Te w
e w x
e e Be ae De re Observed Transitions References
(lo- 8cm- 1 ) (i) Design. l voo

209 Bi 19Br µ = 57.2853673 MAY 1976

Fragments of three systems of V shaded absorption bands in the regions 40800 - 45000 and
33700 - 36900 cm- 1 • (2)
B 24710.9 265.34 H l.956 B+- X, V? 24738.4 H (l)*
o+ 20532.0 H
a (0.0364) (0.00025) (2.84) A~X, R 20495.2 (l)* (J}(4)
A 135.91 0.5J4 H
(5)
x o+ 0 b o.45 0.04)21526 0.000132695C Microwave sp. (6)
209.50 H 0.7347 2.609503

2oqBi-3sc1 ·µ·=29.9562508 n0O. =· 3. 08 eV

a MAY 1976 A
B 25492.7 403.5 0 b B~X, (l)* (2)*
H 3.768 V? 25539.5 H
A' 23054.5 217.5 H 2.95 (0.07J9)c (2.760) A'~X, R 23008.6 H (5)(6)* (8)
(9)*
A o+ 21801.8 220.J H 2.47d (0.07927)c (J.9) (2.664) A~X, R 21757.4 H (l)* (2)*
(.3)(10)(11)
x o+ 0 308.4e H 0.96 (0.092l)c (3.1) (2.472)

109Bi 19F µ = 17.4151900 MAY 1976 A

c 44222.0 615.0 2.50 a v 44274 H (J){4)(5)*
H
I I I
C+-+X,
(14)*
_ 542.7 (P, Q heads). v 36979 HQ
Two systemsa (emission only) with ~~ = ~ik:~' w"e - 535.0 v
32179 H
(3)(5~*(12)*
(J)(5 *(lJ)*
B 25986.4 602.ob H 3.50 B....,.X, b 26033 H ( 11)
d
A o+ 22959.7 J81.0 H J.OOc A_.X, R 22894.6 H (l)* (2)(6)*
I I I (7)*(8)*(9)*
R shaded emission bands in the region 14350 - 16050 cm- 1 ; w' ~ 399, w" ~ 535. (11)(15)
x o+ 0 510.7 H 2.05
l
d
l l l
BiBr1 aw e y e = - 0.1031 convergence limit at 22120 cm-l
bFrom the A- X system. Similar constants from B- X.
c
de = + 7. 6 8 x 10 -8 •
(1) Morgan, PR~' 41 (1936).
(2) Sur, Majumdar, PNISI 20, 235 (1954).
(3) Sankaranarayanan, Patel, Narayanan, PIAS A ..2.£, 171
{1962).
(4) Singh, IJPAP §, 299 (1968).
(5) Lal, Mohamed, Khanna, IJPAP 1J., 53 (1975).
(6) Kuljpers, Dymanus, CPL J.2., 217 (1976).
BiC.l1 8.rhermochemical value (7), calculated for a J~ ground
state.
b
weye = + 0.0016.
cRotational analyses by (8)(10)(11); different results
in (4)(5)(6). Uncertain.
d
weye = - 0.02.
eFrom the A- X system; similar constants from B- x.
(1) See ref. (1) of BiBr.
(2) Ray, IJP 16, 35 (1942).
(3) Venkateswarlu, Khanna, PIAS A 21., 14 (1960).
(4) Khanna, JMS §, 319 (1961).
(5) Rao, Rao, IJP J.2., 65 (1965).
(6) Babu, Rao, IJPAP 2, 79 (1967).
(7) Cubicciotti, JPC 2!, 3066 (1967).
(8) Mohanty, Nair, Upadhya, IJFAP §, 494 (1968).
(9) Yarndagni, JMS .12., 149 (1970).
(10) Singh, Upadhya, IJP !!2, 121 (1971).
(11) Rai, Upadhya, Ram, IJP 48, 554 (1974).
BiFs aRotational analyses (10)(12)(13)(14).
bComplex system of V and R shaded bands. The constants
above refer to the V shaded heads.
c
weye = + 0.10.
dRotational analyses of several A-X bands in (6)(8) [Bc) =
0.2097, Ba = 0.2307] and (9) [B 0 = 0.2090, Ba = 0.2295].
(1) Howell, PRS A 1:..,22, 141 (1936).
(2) See ref. (1) of BiBr.
(3) Rochester, PR 51, 486 (1937).
(4) Joshi, PPS 1§., 610 (1961).
(5) Rao, Rao, IJP J.Q., 85 (1962).
(6) Rao, Rao, CJP 40, 1077 (1962).
(7) Sankaranarayanan, Narayanan, Patel, PIAS A 22_, 378
(1964).
(8) Rao, Rao, IJP J.2., 572 (1965).
(9) Mohanty, Upadhya, CS J.Q., 478 (1967).
(10) Murty, Rao, CS J.Q., 661 (1967).
(11) Patel, Narayanan, IJPAP 2, 223 (1967).
(12) Mohanty, Rai, Upadhya, Singh, JP B 1, 523 (1968).
(lJ) Chaudhry, Upadhya, Rai, Mohanty, JP B 1, 1223 (1968).
(14) Chaudhry, Upadhya, Rai, JP B £, 628 (1969).
(15) Murty, Rao, Reddy, Rao, SpL ~' 217 (1975).
95
 96
State Te w
e
w x
e e Be «e De re Observed Transitions References
(lo- 4cm-1 ) (.i) Design. l voo

209Bi'H µ = 1. 00298823 n0O 6 2.90 eV a MAY 1976

E o+ 32940.3 [1105.58] z 30.l 3. 5456 b 0.0525 [1.401] 0
2.1772 E-(- X, R 32674. 08 z (5)(8)
D lE [3.88] [2.081] D+C, R 20647 z (l)(J)
c lE [1313.6] z 4.37 0.11 1.961
B o+ 21263 . [1643.07Jd z (47) 5.3078d 0.1861 [2.01o]e 1.7795 B~A, v 16341. 72d z (1)(3)(4)
(6)*
B-+X, v 21278. 35d z (l)* (3)*
A 4917.1 [1669.16]f z 35.4 5.2386fg 0.1546 [1.904]fh l.7912f
x o+
l }JI:-
0 [1635.73] 31.6 5.137 1 0.148 [l.BJi l 1.805

209Bi2H µ = 1. 99487609 MAY 1976

o+ j l.796k1. m n
E (32929) 0.0232 2.169 E~ X, R (8)
B o+ 21263.7 [1185.lO]d 25.0 2.6687d 0.0644 [0.507] 0 1. 7795 B-+-A, v 16341.lOd z (4)(6)*
B-+X, v 21276. 25d z (2)(3)
A 4916 [1206.9]f (19) [2.6084]fg 0.058 [o.493Jfp l.79of
l }JI:-
x o+ 0 [1173.32] 16.1 2.592i 0.054 [o.506]i I 1.804
Bi 1H, Bi 2HI
~rom the predissociation in E O+(v=2), assuming (1) Heimer, ZP .2..2,, 328 (1935).
dissociation into Bi( 2n ) + H( 2S); see (8). (2) Heimer, ZP 1Q], 621 (1936).
312
bLines having v'=l, J'~ 16, and all lines with v'=2, are (3) Heimer, Dissertation (Stockholm, 1937).
diffuse. The lack of emissio~ from E o+, even from levels (4) Hulth~n, Neuhaus, PR 102, 1415 (1956).
which appear sharp in absorption, was attributed (8) to (5) Khan, Khan, PPS 88, 211 (1966).
weak predissociation by the .n = 1 component of the repulsive (6) Neuhaus, ZN 21 a, 2113 (1966).
5E- state which arises from ground state atoms. (7) T. M. Dunn, in "Molecular Spectroscopya Modern Re-
c D = 1.5 6 3x 10 -4 • search", edited by K. N. Rao and C. W. Mathews; p.
1
dConstants from (8). 231. Academic Press (1972).
eD = 2.146x 10-4 (8). (8) Lindgren, Nilsson, JMS 2.2, 407 (1975).
1
fconstants for the f component ( 8). n -type, doubling,
Bi~H1 lwef(v=O) ~ + 0.0200x J(J+l) - •••} ( 6 )( 8 ).
Bi Hs lwef(v=O) ~ + 0.0049 x J(J+l) - •••
gMagnetic hyperfine structure (4)(6)(7).
~D 1 = 1. 915 x lo-4 ; also higher order constants ( 8).
1
Effective constants; see also (8).
j6G(3/2) = 768.75. Using isotope relationss we~ 829. ,
3
w x ~ 15·1·
k e e
Extrapolated from B1 = 1.7607 and B2 •
tSlight broadening of lines having v'=2, J'~ 18. v'=3 not
observed.
m
D1 = o. 37 8 x 10 -4 , D2 o. 4 23 x 10 -4 •
nv 0 (1-0) = 33540.58.
0
D1 = 0.528 x 10-4 (8).
Pnl = o.489 x lo-4 ; higher order constants in ( 8).

97
 98
State Te w
e wexe Be ae De re Observed Transitions References
(l0-8cm-l) (i) Design. l voo
209Bi 121r µ = 78.9572560 MAY 1976
c 40707.1 230.9 H 4.75
I l I C.._ X, 40739.5 H ( 3)
Unclassified absorption bands in the region 24100 - 25000 cm- 1 • (5)
B 23389.1 198.09 H 1.444 a ' (B-a),b R 17213.5 H (2)(4)*
B+-li>X, R 23405.9 H (1) (2) (6)*
A' 20318.7 126.8 H 0.90 A'.i- X, R 20300.0 H ( 5)
A 20006.0 145.0 H 2.50 A~X, R 19996.o H (5)
a (6190) 170.8 H 0.3
o+ c
x 0 i63.s 8 H 0.280 0.027222814 0.00006979061 0.29959~ 2.800501 Microwave sp. (7)

209Bi'60 µ = 14.85773557 D00 = 3.47 eVa MAY 1976

F (40941) [748] H Fragments only. F<E- x1 , 40970 H (2)*
E ( 22:?) J85.50 769.3 H 6.2 E+- X ,
1 J8.588 H (2)*
2 ()280.5) (34J) [o.228 ]bc [45] [2.229] D+- x1 , R 32631.35 z (6)*
D ( Il)l/2 4
2 (30700) (465) [0.2.548]de [2.1102] xl' f R J0587.16dz (6)*
C ( A)J/2 [30.6] c~

4r;- 48J o.26og 0.0029 h 2.09 f R 28633.35 z (2)(5)* (6)*

B 1/2 28738.2 5 B~x
1 ,

A
2
n1;2 14187.0 .508.8 z 2.78 0.24715 1 0.00167 23.3 2.1426 A~X
1 ,
f R 14095.6 z (1)(3)(4)*
(6)*
2 (8000)
X2 n3/2
2
Xl Ill/2 0 692.4 z 4.34 O.JOJ4jc 0.0022 [22.1] 1.9.34
BiI1 aAlso higher order constants. Bio (continued) 1

blt is not certain that the upper state of this system

gLarge .D..-type doubling, 6.vfe(v,J) = pv(J+%) - ••• where
{w~ = 200.6, w~x~ = 1.4) is identical with the B state
Pv ~ + 4Bv (6). The sign of the splitting can not
observed in absorption and emission.
c be determined from the spectrum but is chosen here to
weye = - 0.005. give agreement with theoretical predictions [see (8)]
d+ 1.72 1 x l0- 8 (v+t) 2 - 9.9x lo-11 (v+!)3.
eA for a 4 E; state. This requires the parities of most
'"e = + O. 00035 4 x 10 -8 2
rotational levels in figure 4 of (6) to be reversed
(1) See ref. (1) of BiBr. and leads to negative values of 6.vfe in the ground
(2) Rao, IJP .£}, 379 (1949). state of Bio, contrary to results for other group v
{3) M. M. Joshi, Thesis (Allahabad University, 1958). oxides.
Quoted in (5). hDv increases from n2 32. x10- 8 to n = 8o. x10-8
i::::
3 5 3
(4) Singh, IJPAP §, 445 (1968). [see (6)].
(5) Yamdagni, SA A 26, 1071 (1970). i6.vfe(v=2, ••• ,9) ~ (+)0.025(J+!) - ••• ;for more details
(6) Singh, Asthana, Singh, SpL ~' 101 (1975). see (6).
(7) Kuijpers, T6rring, Dymanus, CP 12, )09 (1976). j6.vfe(v=O) = (-)0.187(J+!).

Bio 1 C3.rhermoche~cal value (mass-spectrom. ff9). (1) Sen Gupta, IJP 18, 182 (1944).
bBoth high and low rotational levels are predissociated; (2) Bridge, Howell, PPS A 2.1_, 44 (1954).
the e and f levels were only observed for 43.5 ~JS 71.5 (3) Scari, APH §, 7J (1956).
and 57. 5 -6 J !i- 81. 5, resp. • In this region, the .n.-type (4) Gissane, Barrow, PPS §...2, 1048 (1965); 86, 682
doubling [recalc. from (6)] is well represented by (1965)(Corrigendum).
6.vfe = (+)[O.J06 - ll.09x lo- 6 (J+t) 2](J+t). (5) Babu, Rao, CJP 44, 705 (1966).
cUnresolved magnetic hyperfine structure; see (6)(7). (6) Barrow, Gissane, Richards, PRS A JQQ, 469 (1967).
dVibrational numbering uncertain. The single band reported (7) Atkins, PRS A JQQ, 487 (1967).
by (6) agrees in position with the 1-0 band of a weak (8) Kopp, Hougen, CJP !±2, 2581 (1967).
system observed by (2) at about 1480 cm- 1 above the B- x (9) Uy, Drowart, TFS .Qj_, )221 (1969).
bands. (10) Rao, Lakshman, CS 40, 316 (1971).
every small Jl.-type doubling. (11) Asthana, Kushawaha, Nair, APP A .42, 739 (1972).
fThe lines have half-widths of N 0.25 cm-1 (independent of (12) Singh, Shukla, JQSRT 12, 1249 (1972).
J), owing to the unresolved magnetic hyperfine splitting (lJ) Singh, JQSRT 12, 1)43 (1972).
of the ground state levels.

99
 100
State w
e
we x e Observed Transitions References
(i) Design. l v 00

µ = 27.7296867 MAY 1976

One of two systems of ultra-violet bands attributed (1) to BiS is, in fact, the B-X system
of s 2 [see (4)]. The other, consisting of V(?) shaded bands in the region 43200 - 46900cm- 1 ,
appears to include bands which the same author (2) also assigned to SbS. In the latter case
the bands were described as red-degraded.
2 ~303.74b ~ o.09258bc ~2.563 A~ X, d R H3291.5b H (4)
A n1;2 ~ 13343.9 H 1.159 0.000416 '3·55
x 2 0 408.71 H 1.46 [o.112764]e (0.000486) [3.34] 2.3194
Ill/2

209g;_cso>se (µ = 57.8095022) 0
Do = 2.80 eVa MAY 1976
D 44425 316.0 H 2.0 D~ X, v 44450 H ( 1)
c 35618 304.o H 2.0 C+- X, v 35637 H (1)
B 20411 169.4 H 0.8 B~ X, R 20363 H (5)
A .1.
2 H3235.7 ~190.9b H o.595b A~ X, c R :::13198.3 H (J)
x .1.
2 0 [264.8]b H o.4

209 Bi c13o>re {µ = 80.1089621) D00 = 2.4 0 eVa MAY 1976

E Bands in the region 43900 - 45300 cm-1 • E+- X, v (1)
D 43116 263.0 H 0.96 D~x, v 43143 H (1)
c (42870) (164.4) H (0.4) I C+- X, (V) (42848) H (1)
B Bands in the region 40700 - 42000 cm -1 • B+- X, v 41967 H (1)
A Bands in the region 34000 - 35.500 cm -1 . A"'i- X, v (1)
x 0 208 • .5 H 0.52
l
BiSs aThermochemical value (mass-spectrom.)(5); (3). BiTe1 a.rhermochemical value (mass-spectrom.)(2)(4); (3).
bVibrational numbering uncertain. (1) See ref. (1) of Bise.
clAvfel ~ o.oo6(J+i) [v=7,8]. (2) See ref. (2) of Bise.
dLine widths of 0.45 cm- 1 result from unresolved nuclear (J) Boncheva-Mladenova, Pashinkin, Novoselova, IANNM
magnetic hyperfine structure. ~' 291 (1968).
0
Large ..0.-type doubling, !Avf0 (v=O)j = o.1135(J+}). (4) See ref. (9) of Bio.
(1) Sur, IJP _gj, 65 (1951).
(2, Sur, PNASI A 20, 251 (1951).
( 3) Cubicciotti,- JPC §2., 118 (1963).
(4) Barrow, Stobart, Vaughan, PPS .2.Q, 555 (1967).
(5) See ref. (9) of Bio.
(6) Singh, Pandey, IJPAP z, 580 (1969).
(7) Asthana, APP A 42, 739 (1972).

Bise: a.rhermochemical value (mass-spectrom.)(2)(4).

bconstants for Bi 80se.
cBroad lines on account of unresolved nuclear magnetic
hyperfine structure.
{l) Sharma, PPS A §1, 935 (1954).
(2) Porter, Spencer, JCP J,g, 943 {1960).
(J) See ref. (4) of Bis.
(4) See ref. (9) of Bio.
(5) Yamdagni, IJPAP ~' 51 (1970).

101
 102
State Te w
e wexe Be (Xe De re Observed Transitions References
c10- 6cm-1 ) (i) Design. l voo
11 B 11tN µ = 6.16351276 JUN 1976
R J4499 H
Incompletely analyzed singlet transitions (in emission). R J2817 H (1)
v 30963 H

A 3n 27875.0 1317.5 H 14.9 1.555 0.010 (8.7) 1.326 A.:,,...+X, R 27775.8 H (l)* ( 2) (3)
(5)
x Jn a 0 1514.6 H 12.3 1.666 0.025 (8.1) 1.281
I

II B'60 µ = 6.52094009 n00 = 8.28 eVa JUN 1976

c 2n(r) c ... x, R 55061.5C (7)* (10)

55J46.lb 1315.3 H 11.1 1.483 0.018 8 1.320 r- bands (11)*

B 2x:+ 43174.05 1281.69 z 10.66 l.517lde 0.0210 8.5 l.J054 B-+A, f v 19225.9
19351.0 (1)
B_.X,g R 42872.J4 z (l)* (3)*
fo- bands (6)(8)*
A 2n.1 23958.76h 1260.70 z 11.157 1 [1.40l8]je 0.0196 [7.63] 1.3533
A~'X, k R 23646.43~ z (l)* (2)*
23833.7 O{- bands 23521. 3 z (4)* (5)*
(14)(18)
x 2E+ 0 1885.69 z 11.81 l.7820me 0.0166 6.32n 1.2045 ESR sp. 0

"BJGQ+ JUN 1976

b lE (27941) (1952) [1.8202] [6.JJ] [1.1917] b-+a, v 2802J. 99 z (16a)
a lx: (0) (1787) [1.7799] [7.06] [1. 2052]

(IOB t6o- I.P. = J.1 2 evP JUN 1976 A

c11>s31 p (µ = 8.12231284) 0
DO = 3.56 eV
a JUN 1976
BN1 ~he observation of A~X in absorption in rare gas matrices BO, BO+, BO- (continued)1
(5) supports theoretical predictions (4)(6) of a 3n ground
(1) Mulliken, PR~' 259 (1925).
state.
(2) Jenkins, PNASU 1J, 496 (1927).
(1) Douglas, Herzberg, CJR A 18, 179 (1940). (3) Elliot, PKNAW Jl, 644 (1930); J.§., 736 (1935).
(2) Nicholls, Fraser, Jarmain, CF], 13 (1959). (4) Scheib, ZP 60, 74 (1930).
(3) Thrush, Nature 186, 1044 (1960). (5) Jenkins, McKellar, PR 42, 464 (1932).
(4) Verhaegen, Richards, Moser, JCP 46, 160 (1967). (6) Funke, Simons, PKNAW J.§., 142 (1935).
(5) Mosher, Frosch, JCP 2£, 5781 (1970). (7) Chr6tien, HPA £2., 259 (1950).
(6) Melrose, Russell, JCP ..2,2, 470 (1971); :il., 2586 (1972). (8) Lagerqvist, Nilsson, Wigartz, AF 1.J., 379 (1958).
(9) See ref. (2) of BN.
BO, BO+, B0-1
(10) Kuzyakov, Tatevskii, Tunitskii, OS(Engl. Transl.)
~hermochemical value (mass-spectrom.)(17)(19); in good .2., 84 (1960).
agreement with 8.3 eV by flame photometry (15). (11) Mal'tsev, Kataev, Tatevskii, OS(Engl. Transl.) .2.,
bA = (+)46.4. 376 (1960).
cR 2 head at 55084.2 cm- 1 • (12) Nicholls, Fraser, Jarmain, McEachran, ApJ 1J1, 399
dSpin splitting constant O ~ + 0.025 (8)(18). (1960).
ePotential curves (16). (13) Robinson, Nicholls, PPS .z2, 817 (1960).
fFranck-Condon factors (9). (14) See ref. (3) of BN.
gFranck-Condon factors (9)(13)(21); measured relative in- (15) De Galan, Physica J1, 1286 (1965).
tensities (13). (16) Singh, Rai, JQSRT 2, 723 (1965).
~Ao= - 122.26 (slight J dependence)(l8); A1 - 122.36 (5). (16a) Kataev, Mal'tsev, VMUK 22 (2), 23 (1967).
1
w y
. e e = + 0.049. (17) Coppens, Smoes, Drowart, TFS 64, 630 (1968).
JA-type doubling in 2 n~, 6vfe ~ + o.025(J+i) - ••• C5)(18)r (18) Dunn, Hanson, CJP !±J.., 1657 (1969).
2 2
for Il1 see (5). (19) Uy, Drowart, HTS£, 293 (1970).
kFranck!condon factors (9)(12)(13)(21); measured relative ( 20) Knight, Easley, Weltner, JCP 2!, 1610 (1971).
(13) and estimated absolute (22) intensities. (21) Liszt, Smith, JQSRT 11, 1043 (1971).
l.{J'=O} relative to N"=O. (2la) Srivastava, Uy, Farber, TFS §1_, 2941 (1971).
mFrom (8); slightly different constants in (5). Spin split- (22) Kuz'menko, Kuznetsova, Kuzyakov, Chuev, JAS 20,
ting constant t<v=2) = + 0.0065 (18). 373 (1974).
n~ -6
'"e = + o.02x10 •
0
rn rare gas matrices at 4 K (20). BP1 aThermochemical value (mass-spectrom.)(l).
PFrom the heat of formation for Bo· (2la). (1) Gingerich, JCP ..2Q, 4239 (1972).

103
 104
State w we x e Be ae De re Observed Transitions References
e
(lo- 8 cm- 1 ) (i) Design. 1 v 00

79Br2 0 a = 10.52 evb

D0 = 1.9707 0 eV I.P. SEP 1976 A
Fragments of additional Rydberg series converging to A 2 nu of Br 2+ • (18)*

Rydberg series converging to x2 2 rrg,i of Br + 1 v

2 2 = 88306c - {=~~:= ~:::~~}
R/(n- 2.591)
2 n = 5,6,7. (18)*
2
R/(n- 2.629)
R/(n - 1.843):, n = 5, ••• ,12.

!
R/(n - 1.938) , n = 5, ••• ,18.
2
Rydberg series converging to x1 2rr a of Br 2 1
+
'V = 85165d - R/(n- 2.225) } (18)*
g,I
R/(n-2.422)~ n = 5, ••• ,20.
R/(n - 2.593)
N 76537 230e H 76491 H
N~ X, R (18)*
M 74060 24le H (0.3) M~ X, R 74019 H (18)*
L 72727 218e H 3 L~ X, R 72674 H (18)*
Several groups of diffuse emission bands in the region 23600 - 50000 cm- 1 have been assigned
(5) to transitions from four states at 47000, 55534, 61444, 66500 cm- 1 to various repulsive ( 5)
2 2
states arising from Br( P1 i) + Br( P! i)·
~'2 ~'2

(K) Extensive system of absorption bands in the region 59000 - 67000 (K)+-X, (18)
cm- 1 ; no analysis. Thissystemmay include transitions to the upper
states of1 .t-+ x 293e R 62266 H
a) three emission systems, M-+ X of ( 9 ) , with w' ~ 426e; v 60879 H (9)
L-+X 28le R 59855 H
b) a long resonance series (63817 - 53779 cm- 1 ). (12)
H (56820) 108.oef 1.5 H-t B, (40890)f (10)
G 56337 (255)e H G-+X,g R 56303 H (9)
F 52191 (120)e H F-?X,h R 52090 H (9)
E 51634.o 150.9e o.49/ E~Bj, 35724.oe (7) (11)(28)
a.-.
~·rom
.
(J2); corresponding values for 79 ' 81 Br 2 and 81 Br 2 fThe vibrational analysis is doubtful since only v"=21-J2
are 1.9708 2 and 1.9709 eV (short extrapol. of B Ou). + were observed. v 00 (extrapolated) and Te are different from
5
bFrom photoionization (21); supported by measurements at (10) to allow for the new data on the B state (32).
different temperatures. In good agreement with 10.51 eV gSystem J- X of (9), not observed in absorption.
obtained by photoelectron spectroscopy (15)(23)(26). A hsystem H- X of ( 9), not observed in absorption.
slightly higher value, 10.56 eV, was derived (18) from iw 6 ze = + 0.00006 ; vibrational constants from the reanaly-
5
the Rydberg series in the VUV. It is probable that this sis (28) of the emission data of (7) and the absorption
value refers to v'=l. d~ta of (11). See j.
c The interval
· of Jl 41 cm - 1 b e t ween x1 2 nJ/2 and x2 2 n112 jit is not entirely certain that the lower state is B Jn +
3 u,o
of Br 2+ derived from the Rydberg series does not agree and not A nu,l"
with the value 2820 cm- 1 from the photoelectron spec-
(continued p. 106)
trum (2J). The discrepancy may be accounted for by assu-
ming that instead of v'=O as suggested in (18) the 2n
112
series listed here have v'=2 while the 2n series have
312
v'=l (see d).
dAccording to the photoionization and photo~lectron value
of the ionization potential (see b) the five 2 n Ryd-
312
berg series in the table refer to v'=l. Vibrational
structure; see (18).
eNormal isotopic mixture.

105
 106
State Te w w x B a:e De re Observed Transitions References
e e e e
(lo- 8 cm- 1 ) (R) Design. voo

798r2 (continued)
D 48499 162.0e 0.29 I I I D-7 B, .32595 (8)
Several absorption continua beyond 19580 cm- 1 corresponding to a
c ln number of electronic transitions including that to c 1 nu with Ckf- X, (1) (2) (J) (4)
u lu (24000) (24000)
(6)(JOa)
maximum at 24000 cm-1.
(16)* (24)*
B} r~ 15902.47 167.607 z 1.6361.l o.059589mno o.ooo48910P J.OlJq 2.67757 Bkr~x, o R 15823.47 z (20) (.32) (.35)
.3n
u Akr~x, u R (1J)(l4)*
A lu 13905 15.3e H 2.7s o.05s8tu (0.0008) 2.695 1J818v
(29)
x lL:+
g 0 325.321 z 1. 0774W o.082107x o.00031s7Y 2.092q 2.28105 IRaman sp.
z
-

Br 2 (continued):
kAlso observed in magnetic circular dichroism (JS) and
photofragment (40) spectra. The latter authors confirm
Mulliken's (J) prediction that C 1 nu dissociates into
2P + 2P3 and observe evidence for several excited g states
3
-2 2
by two-photon photofragment studies near 28000 and
)8000 cm- 1 •
..ew e y e =-0.009369 (for v~8). Vibrational levels observed
to v=55, dissociation limit ( 2PA + 2PJ,) at 19579.76 cm-l
above X 1 L:+(v=0,J=O). See 0 • Ab~orptlon in the BO+ con-
tinuum (43~. u of predissociation. For lifetimes near the dissociation
mHfs observed in v=l2 ( 81 Br 2 ) and v=l7 (79Br 2 ) r see (.33).
nPredissociation was observed (41)(.39) for v=42, J=JJ by
the laser-molecular beam technique. B ~ X emitted in the
recombination of Br( 2P 3 ) atoms shows strong enhancement
'ii
of bands with 5<v'< 10 presumably on account of inverse
predissociation (27). See al~o r
0
RKR potential function and Franck-Condon factors (25)(.32).
For the behaviour of the potential function near the dis-
sociation limit..e see (JO)(Jl)(J4).
Pre= -6. 637 x lo- 6 (valid for v 6 8).
qDv and higher order constants in (32).
rEstimated radiative lifetimes for A and B range from 1000
to 2000 and 12 to 70 µs, respectively (29)(JOa)(4J). For
the B state (22) find total lifetimes of the prder of 1 µs;
minima (rv0.2 µs) occur for v=l and 14 probably on account
limit.t of B see (42).
sConvergence limit for 79Br 2 at 15894.6 cm-l above X 1 L:+(v=
O,J=O), corresponding to 2P3+ 2 P3. A weak continuous s~ec­
trum joins.onto the limit a~d ov~rlaps the main absorption
system B~X; see (17).
tExtrapolated from v=7; constants for v=0 ••• 6 have not been
Br 2 (continued)1
determined. Bv, Dv' Hv, and A-type doubling constants (18) Venkateswarlu, CJP !±1, 2525 (1969).
for v=7 ••• 24 in (29). (19) Holzer, Murphy, Bernstein, JCP 2£, 399 (1970).
uRKR potential function and Franck-Condon factors (29). (20) Holzer, Murphy, Bernstein, JCP 2.£, 469 (1970).
vBased on llG' (v=O - 7) from low-resolution emission spec- (21) Dibeler, Walker, McCulloh, JCP jJ, 4715 (1970).
tra (14) of normal Br 2 and the origin of the 7-0 79Br 2 (22) Capelle, Sakurai, Broida, JCP .2£, 1728 (1971).
band at 14739.14 cm-l derived from (29) and (32). (23) Cornford, Frost, McDowell, Ragle, Stenhouse, JCP .2£,
WW y = -0. 002298 • 2651 (1971).
x e e
RKR potential curve (25)(32). Hfs observed (JJ) in v=4 (24) Coxon, JMS JZ, 39 (1971).
( 81 Br 2 ) and v=7 (7 9Br 2 ). (25) Coxon, JQSRT 11, 443 (1971), 12, 639 (1972).
y
fe=-1.0 4 5 x10 -6 (26) Potts, Price, TFS §1, 1242 (1971).
zResonance Raman spectra in the gas (19)(37), in solid (27) Clyne, Coxon, Woon-Fat, TFS §1, 3155 (1971).
argon (35); pure rotational Raman spectrum (J6). (28) Wieland, Tellinghuisen, Nobs, JMS 41, 69 (1972).
(29) Coxon, JMS 41, 548, 566 (1972).
(1) Cordes, Sponer, ZP .§_], 334 (1930).
(2) Aickin, Bayliss, TFS .1±, 1371 (1938). (JO) Goscinski, MP 24, 655 (1972).
(JOa)Coxon, in "Moiecular Spectroscopy", Vol.1, p. 177.
(J) Mulliken, PR j]_, 500 (1940).
The Chemical Society (1973).
(4) Rees, PPS 22., 1008 (1947).
(5) Venkateswarlu,PIAS A l2, 138 (1947). (Jl) Yee, Stone, MP 26, 1169 (1973).
(6) Bayliss, Sullivan, JCP 22, 1615 (1954). (J2) Barrow, Clark, Coxon, Yee, JMS j1, 428 (1974).
(7) Venkateswarlu, Verma, PIASA 46, 251 (1957). (JJ) Eng, LaTourrette, JMS 2.£, 269 (1974).
(8) Venkateswarlu, Verma, PIASA 46, 416 (1957). (J4) Le Roy, CJP 2£, 246 (1974).
(35) Ault, Howard, Andrews, JMS 5..2, 217 (1975).
(9) Haranath, Rao, JMS ~' 428 (1958).
(36) Baierl, Hochenbleicher, Kiefer, AS £2, 356 (1975).
(10) Verma, PIASA !±1, 196 (1958).
(11) Briggs, Norrish, PRS A .?1§., 51 (1963). (37) Baierl, Kiefer, JCP 62, 306 (1975).
(12) Rao, Venkateswarlu, JMS 1J, 288 (1964). (J8) Brith, Rowe, Schnepp, Stephens, CP ~' 57 (1975).
(39) Lum, Hozack, JMS ...2§., 325 (1975).
(lJ) Horsley, JMS 22, 469 (1967).
(40) Oldman, Sander, Wilson, JCP .§_}, 4252 (1975).
(14) Clyne, Coxon, JMS _gj, 258 (1967).
(41) Lum, McAfee, JCP .§_}, 5029 (1975).
(15) Frost, McDowell, Vroom, JCP 46, 4255 (1967).
(42) McAfee, Hozack, JCP 64, 2491 (1976).
(16) Horsley, Barrow, TFS.§_}, 32 (1967).
(43) Bondybey, Bearder, Fletcher, JCP 64, 5243 (1976).
(17) Sulzmann, Bien, Penner, JQSRT 1, 969 (1967).

107
 108
State w
e
w x
e e Observed Transitions References
Design. l v 00

(µ = 39.952275) n00 = J.2 6 eV

a
JUN 1976
Highly excited X-ray states obtained in heavy ion collisions (Br++ Br), discussed in (4).
(30700) Third state observed in the photoelectron spectrum (2)(3).
21602b 152.0 0.35 18670 (l)*
19290b 190.0 1.0 19197 (l)*
2820c
376.0 1.25
0

(µ = 39.952549) JUN 1976

(4)

µ = 24.2317306 I.P. = 11.1 eVb JUN 1976 A

1
Additional absorption bands above 65000 cm- ; no analysis. (l)* (8)*
Six continuous emission bands between 27800 and 39200 cm- 1 • (5)
61570 [504]c H D~X, V 61600 H (l)* (5)
59325 519C H 2.9 c~x, v 59362 H (l)* (5)
16879.91d 222.68d 2.884d o.107704ef (1.0 1 ) 2.5415 B'="-+-X,g R 16735.9h ( 7) * ( 12)
(13)(14)
Several bands of this system observed but not analysed. A+- X, R (12)
'
0 444.27 6 z l.843i o.152469 f
5
o.000769 j
7
o.71s3k 2.13606
5
Infrared sp.t (J)(4)(7)
Raman sp.m ( 9)
Microwave sp.n (2)
 aD 0(Br 2 ) + I.P. (Br)[= 11.8139 eV (la)] - I.P. (Br 2 ). BrC.t. (continued)1
0
bThe energies of the two 2 nu components fit mo'derately by the intersecting o+ state arising from normal atoms
well with two partially resolved peaks at ..vl2.8 and (interaction matrix element~ J60 cm- 1 ) 1 wey e = -0. 0673.
13.1 eV in the photoelectron spectrum (2)(3). The rather The observed vibrational levels (12) are pushed down from
large difference between the we values in the two com- their calculated positions by shifts ranging from 42 (for
ponents raises some doubt in the correctness of the ana- v=2) to 1J5 (for v=8) cm-1 •
cFrom the photoelectron spectrum (2)(3). I lysis. eDeperturbed value (12)1 Xe not given. Experimental Bv, Dv'
(1) Haranath, Rao, IJP £2, 205 (1955). fRKR potential curve (12). I Hv values for 2.fv6 8 in (12).
(la)Tech, JRNBS A .£.Z, 505 (1963). gFranck-Condon factors (12).
(2) Cornford, Frost, McDowell, Ragle, Stenhouse, JCP ..2!±, hExtrapolated from the lowest observed level (v'=2); see
(3) Potts, Price, TFS .£.Z, 1242 (1971). I
2651 (1971). (12). (7) give 16695 cm-l based on iow-dispersion spectra.
(4) Soff, Muller, LNC 2, 557 (1974). iw y = -0. 0040 0 •
. e e
J ~ = -26 x lo-7.
ano0 (Br2) + I.P. (Br2 -) - I.P. (Br-). k e -7 -14
bFrom endoergic charge transfer (2)(3)(3a)(5). Dissociative foe= +O.OOJ5x 10 ; He= -l.53x 10 •
.I.Integrated abs. coefficients, dipole moment derivative (4).
electron attachment gives the slightly higher value of
mSee also (11) [liquid BrC.t.] and (14) [BrC.t. in rare gas ma-
2.8 eV (1).
7
cFrom two progressions of resonances in the scattering
nµe.t. ~ 0.57 D and values of eqQ(J5,J7c.t., 79, 81 Br). I trices].
of electrons by Br 2 indicating the existence of a pre- (1) Cordes, Sponer, ZP 12, 170 (19J2).
ionized doubly excited state of Br 2 - with the X 2n (2) Smith, Tidwell, Williams, PR 12, 1007 (1950).
+ g
state of Br 2 as "grandparent" (4). (3) Mattraw, Pachucki, Hawkins, JCP 22, 1117 (1954).
(1) DeCorpo, Franklin, JCP _21, 1885 (1971). (4) Brooks, Crawford, JCP _gj, J6J (1955).
(2) Chupka, Berkowitz, Gutman, JCP 2.2,, 2724 (1971). (5) Haranath, Rao, IJP Jl, J68 (1957).
(3) Baede, Physica j2, 541 (1972). (6) Irsa, Friedman, JINC §, 77 (1958).
(3a)Hughes, Lifshitz, Tiernan, JCP j2, 3162 (1973). (7) Clyne, Coxon, PRS A~' 424 (1967).
(4) Spence, PR A 10, 1045 (1974). (8) Donovan, Husain, TFS 64, 2J25 (1968).
(5) Tang, Leffert, Rothe, Reck, JCP 62, 132 (1975). (9) Holzer, Murphy, Bernstein, JCP ..5.f., J99 (1970).
(10) JANAF (1971).
BrC.t.1 ~rom the heats of formation of BrC.t. and Br Wallart, CJS 11, 128 (1972).
2 (10) and the (11)
dissociation energies of Br 2 and C.t. 2 • (12) Coxon, JMS 2.Q, 142 (1974).
bElectron impact appearance potential (6). (13) Hadley, Bina, Brabson, JPC 1§., 1833 (1974).
cNormal isotopic mixture. (14) Wight, Ault, Andrews, JMS 2£, 239 (1975).
dDeperturbed constants (12) allowing for the perturbation

109
 110
State Te we wexe Be «e De re Observed Transitions References
(lo-6crn- 1 ) Ci) Design. l voo

79Br'9F µ = 15.)122179 n00 = 2.5 48 ev a I.P. = 11.78 evb JUN 1976 A

Fragments of three emission systems between 57000 and 64000 cm- 1 • ( 4)

B Jn + 18272.0 372.2 H J.49° B+-+ X, R 18122.8 H (2)(3)(8)*
J 0 (378)d H (16) A._X, R (17235)d (J)
A Ill (17385)
x lr;+ 0 670.75 H 4.054 o.35584 e 0.002612 (0.401} 1.75894 l\'Iicrowave sp.f (1)
3

<19>Br'9F+ 0
DO = 2.61 eVg JUN 1976
2 26ooh
X2 n1;2 75oh
2 0
X1 nJ/2

79
Br' 6 0 µ = lJ.29942925 0
DO = 2.397 eva JUN 1976
2 b d
A ( n
312
) 27871 485.9 H 5.4oc A.,._ x
1 , R 27725b H (1)(2)*
2 (900)e
X2 Ill/2
2 b l.7172g
xl n3/2 0 778.7 H 6.82 o.429598f 0.003639 (0.523) Microwave sp. h (4) (7)
EPR sp. (5)(8)

"B325 µ = 8.18936774 n00 = 6 .01 eV a JUN 1976 A

G 2r: [0.6148]b [0.89] [i.a29 8 J G...,.F, 19506.94 z
v 19829.62 (3)*
z
F 2n. c to.5782jd [0.81] [1.8886]
]. 0.5760
9
D 21:::.. (48078) (676)f to.6032j [2.5] [1.8494] D...,.A, Jl830.74
R z (3)*
]. (47724) 0.6005 31810.39 z
c 2n r 39041.2 892.64 H 6.74 to.7052jg h
[1.711 8 ]
c...,..x, R 38897.28 z (l)*
3s925.8 0.6998 't'- bands )8781.93 z
B 2r;+ 36223.4 770 H 4.o [o.6311]i h
[1.53] [1.8060] B+A, v 20022.84 z (l)* (2){J)*
P>- bands 20354.99 z
BrF, BrF+ 1 Bro (continued)1
aFrom the heats of formation (7) of BrF and Br 2 and the neither A nor x1 is quite certain. In order to fit the
.
dissociation energies of Br 2 and F 2 • A higher value, absorption and the emission bands into the same vibra-
2.71 eV, was suggested (11) on the basis of an assumed tional scheme it was assumed (2) that the longest-wave-
20 % failure for the linear Birge-Sponer extrapolation length absorption band was 1-0 and that the v" numbering
of the ground state. of the emission bands (1) had to be raised by four units.
bFrom the photoelectron spectrum (9); in reasonable cw y - 0.07 4 •
d e e
agreement with an electron impact appearance potential All A~ x1 bands are diffuse on account of predissocia-
of 11.8 eV (5). tion, though a few bands show evidence of rotational
cw y = - 0.22. fine structure.
d e e e A = - 815 from EPR sp. (5); (8) estimate A = - 980.
Fragmentary observations; the constants are very un- 0 0
certain. See (11). fEffective constants.
eRotational constants recalculated by (6) from (1). gFrom the "true" B = 0.4299 (7).
h e
f
µei = 1.29 D; also values for eqQ( 79 ' 81 Br). Zeeman µei(v=O) = 1.76 D (7); 1.61 D from Stark effect in the
5
effect (10). gas-phase EPR sp. (3)(6). For eqQ(79, 81 Br) and magnetic
g Doo(BrF) + I.P. (Br) - I.P. (BrF). hyperfine parameters for both isotopes see (4)(5)(7)(8).
h
From the photoelectron spectrum (9). (1) Coleman, Gaydon, DFS £, 166 (1947).
(1) Smith, Tidwell, Williams, PR ']J_, 420 (1950). (2) Durie, Ramsay, CJP J.2., 35 (1958).
(2) Durie, PRS A _gg_z, 388 (1951). (3) Carrington, Levy, Miller, JCP !±1., 3801 (1967).
(3) Brodersen, Sicre, ZP 141, 515 (1955). (4) Powell, Johnson, JCP 2.Q., 4596 (1969).
(4) Brodersen, Mayo, ZP ~' 477 (1955). (5) Carrington, Dyer, Levy, JCP ..2.,g_, 309 (1970).
(5) See ref. (6) of BrCL. (6) Byfleet, Carrington, Russell, MP 20, 271 (1971).
(6) Calder, Ruedenberg, JCP !±2,, 5399 (1968). (7) Amano, Yoshinaga, Hirota, JMS 44, 594 (1972).
(7) See ref. (10) of BrCL. (8) Brown, Byfleet, Howard, Russell, MP£], 457 (1972).
(8) Clyne, Coxon, Townsend, JCS FT II 68, 2134 (1972).
BS1 aThermochemical value (mass-spectrom.)(5). Different
(9) DeKock, Higginson, Lloyd, Breeze, Cruickshank, Arm-
values suggested by (4).
strong, MP 24, 1059 (1972).
bSpin-splitting constant fo = + 0.0245.
(10) Ewing, Tigelaar, Flygare, JCP 2£, 1957 (1972). c
Ao = - 321.53.
(11) Coxon, CPL 11, 136 (1975).
dl~vfel = o.0197(J+~).
e
BrOa aFrom the near-convergence of the absorption bands A+-Xl A0 = - 175.05.
2
assuming dissociation of A into CL( P ; 2 ) + o( 1D2 ); see (2). fEstimated from the observed isotope shift for the 0-0
3
bNormal isotopic mixture. The vibrational numbering in g~v fe ~ +o. 01( J+i). Iband.
(continued p. 113)
111
 112
State Te we wexe Be «e De re Observed Transitions References
(10- 6cm-1 ) Ci> Design.
l voo

HB32$ (continued)
16002.2 H
A 2n.1 16209.7j 753.61 4.67 to.6209r [l.69] A-+-X, R 15996.8 H (l)* (6)
15876.o H 0.6185 0.0059! 1.8182 tX - bands 15668.5 H
15663.1 H
x 2E+ 0 1180.17 H 6.31m 0.7948 n
9 0.0060/ [l.40] 1.6092 ESR sp. 0 • Ab initio calc. (8)

cmB cso> Se (µ = 9.67629794) D0O = 4 .7 5 eVa JUN 1976

(I I) s(2.s>s i (µ = 7.90039248) D
0
0 = 2.9 5
eVa JUN 1976

12c2 µ = 6.00000000 ng = 6.21 eva I.P. = 12.15 evb JUL 1976 A

Theoretical work and potential functions (16)(29)(35)(49).
F ln
u [75456.9] [1557.5] z 1.645 0.019 6 1.307 F+X, R z
74532.9 (51)*
g 311 (?Jl83.6JC [1458.06] z 1.5238 0.0170 6.6 1.3579 g+- a, R 71649.6 z (51)*
g
f JI:-
g 71045.8 1360.5 z 14.8 1.448d o.o4o 0 10 1.393 f+ a, R 70188.4 z (51)*
E lE+g 55034.7 1671.50 z 40.02f 1.7897 o.0387g 8.Jh 1.2529 E-+A,i v 46668.J z (10)*
D lE+ 1829.57 z lJ.94 1.8332j 0.0196 7.32j 1.2380 D++ X, k 4J226. 74 j Z (2)* (11)
u 43239.44 Mulliken b. (46)
e Jn 40796.65.t 1106.56 z J9.260m 1.1922 6.Jn
0.0242 1.5351 e+a, 0 R 39806.46 z (7)*
g Fox-Herzberg b.
C' ln g 1
Preliminary constants from perturbations in C ng; see (40).
c ln 34261.3 1809.1 z 15.81P 1.78.34 o.0180P 6.8 1.2552 C'°A, q VR 25969.19 Z (1) (J) (8)
g Deslandres-d'Azambuja b.(50)
w
d~ a, VR 19378.44 z (6)* (25)
d Jn g 20022.?0r 1788.22 z 16.44os 1.?527 t o.01608u 6.74v 1.2661 (42)* (48)
Swan b.
( d• X)x
c JI:+ 13Jl2.1 1961./ 13.? l.87Y i.23
u
BS (continued) a c2 (continued) 1
hv=l of C 2rr interacts with v=5 of B 2 E+ and with an f
wey e = +0.248.
r
unidentified state; see {J). gre= -0.0005 • Rotational constants re-evaluated1 (10) gives
5
~Spin splitting constant fo = -0. 0901. ~foe= +o.6x lo- 6 •
1
I Be= l.79JO, ae= o.0421.
JA = -JJ0.91 (from B-TA).
0 Franck-Condon factors (JO); electronic trans.moment (57).
kt.v fe = +o. 0176(J+i"). jFrom (46)1 slightly different constants in (2). foe~ Jx lo- 8•
LPerturbations between higher levels of A 2 ui and of kRadiative lifetime 'l:= 14. 6 ns, foo= 0.055 (5J). The corres-
mweye= -0.004 (J). I X 2E+, see (J). ponding electronic transition moment is in only moderate
nspin splitting constant r=+O.OlJ (7). agreement with (57). Franck-Condon factors (14)(JO).
0
rn inert matrices (Ne, Ar) at 4 K (7). LA not determined, but much smaller than for aJil •
m u
(l) Zeeman, CJP ~' JJ6 (1951). n we y e = +2.8050,_ 6we z e = -0.1271.
(2) Koryazhkin, Maltsev, VMUK No.4, 92 (1968). foe=+0.29xl0 •
(J) McDonald, Innes, JMS ~' 251 (1969). °Franck-Condon factors ( 14) ( 20) (JO) 1 el. trans. moment ( 57) •
(4) Gingerich, CC (1970), p. 580. PThe t.G and Bv curves are irregular (9)(40) and cannot be
(5) Uy, Drowart, HTS g, 293 (1970). re.present~d by the constants given without the use of

(6) Singh, Tewari, Mohan, IJPAP 2, 269 (1971).
(7) Brom, Weltner, JCP jl, JJ79 (1972).
(8) Ball, Thomson, CPL J§., 6 (1975).
BSea aThermochemical value (mass-spectrom.){l).
(1) See ref. (5) of BS.
BSia aThermochemical value (mass-spectrom.)(l).
(1) Verhaegen, Stafford, Drowart, JCP 40, 1622 (1964).
c2 a aAverage of thermochemical values (15)(55). Smaller values
of 6.07 and 6.11 eV have been derived on the basis of a
somewhat doubtful extrapolation of the vibrational levels
in d Jng (J9) and of an extrapolated limiting curve of
the C lng state (41). See also (lJ).
bFrom photoionization and heat of formation of c 2N2 (J8).
c Ao= -8. 8 + 0. 020 J; Al= -7. 4.
dSpin splitting constant A~ o.41.
ere= +0.006.
higher order terms. The perturbation is strongest near v=5·
Breaking-off at high J observed (41) in v=0,1,2.
qFranck-Condon factors ( 14) (JO) 1 el. trans. moment ( 57) •
rA= -16.9.
sw y = -0~5067. (52) have observed bands up to v'=l4.
t e e J
Numerous small perturbations by higher levels of b E- (19)
1
and X E; (47) and by unidentified states. g
Swan bands emitted in low-pressure oxy-acetylene flames
show a distinct intensity alternation ascribed to exci-
tation by collisions with c JE~ carbon molecules (24)(J4).
Under certain conditions in discharges through CO the
v•=6 progression of the Swan system appears almost exclu-
sively and was at one time considered as a separate band
system, the so-called high-pressure bands of carbon (5){J6)
(45)*. Isotope studies (44) leave no doubt that the high-
pressure bands are the v•=6 progression of the Swan system.
(continued p.114)

113
 114
State Te w
e
w x
e e Be ()(
e De re Observed Transitions References
(lo- 6 cm- 1 ) (.R) Design. l voo

12c2 (continued)
ln z a' A<E-+X, b' R 8268.16 z
A
u 8391.00 1608.35 z 12.078 l.61634 0.0168/ 6.44z 1.31843 Phillips b. (18)
JI:- c• d· b-+a~f' R 5632.7 z
b
g 6434.27 1470.45 z 11.19 1.49852 O.Ol634e' 6.22 i.3692 8 Ballik-Ramsay b. (17)*
a 3n
u ?16.24g' 1641.35 z 11.67 1.63246 h' 0.01661 6.44 i.3119 0
1

x lt+ 0 1854.71 z 1J.J4oi' 1.81984 0.0176/ 6.92i' 1.24253

g

c2 (continued)1
ure = - 0.001274. a'A-type doubling, Avef = - 0.0002Jx J(J+l). Perturbations by
v
/de::+ o.103x10 -6 • C JI:+
u·
wRadiative lifetime T = 170 ns (53), in reasonable agree- b'r 00 = 0.0025J see (59) for a comparison with other absolute
ment with (37) but much shorter than (22). f values ob- measurements. Reasonably consistent with the electronic
tained from the lifetime measurements as well as by other transition moment obtained by (57). Franck-Condon factors
methods (28)(Jl)(J2)(4J) have been reviewed in (56). The (14)(21)(27)(30).
latter authors' expression for the r dependence of the c•w y = + 0.028 (19).
d' e e
electronic transition moment was placed on an absolute Spin-splitting parameters Ao= 0.11, ro = - 0.00365 (58).
scale using an average r 00 = 0.020. For a more recent Small perturbations by levels of X 1 I:+g (17).
measurement of the electronic transition moment see (57). e'
,re= - 0.000087 (19).
Franck-Condon factors (14)(20)(21)(27)(30). f Franck-Condon factors (JO)r electronic transition moment
x!n solid matricess tentative assignment by {2J) who also (57).
report the observation of d+-a. See, however, (JJ). g•A = - 15.25; (58) gives additional spin-coupling constants.
YFrom perturbations in A 1 nu (18). h·.A-type doubling; see (17) and (58).
i'w y
zw e y e =- 0.01 ~ ' } Very slightly revised constants in e e = - 0.1721 } From (18); very slightly revised con-
re= - 0 • 006° 0 4'-6
Pe = + 0.03 x io •
(54) based on the same data. 'ta - 0.00023; -6
foe = + o.o8 lx 10 •
stants in (54) based on the same data.
c2 (continued)1
(1) Dieke, Lochte-Holtgreven, ZP 62, 767 (19JO).
(2) Landsverk, PR ..2£, 769 (19J9).
(J) Herzberg, Sutton, CJR A 18, 74 (1940).
(4) GerB, Schmid, PR 62, 82 (1942).
(5) Herzberg, PR l.Q, 762 (1946).
(6) Phillips, ApJ 108, 4J4 (1948).
(7) Phillips, ApJ 110, 7J (1949).
(8) Herzberg, MOLSPEC 1. (1950).
(9) Phillips, ApJ 112, lJl (1950).
(10) Freymark, AP(Leipzig) ~' 221 (1951).
(11) Norrish, Porter, Thrush, Nature 1£2., 582 (1952).
(12) Nicholls, PPS A £2., 741 (1956).
(lJ) Drowart, Burns, DeMaria, Inghram, JCP J.1, llJl (1959).
(14) Nicholls, Fraser, Jarmain, CF], 13 (1959).
(15) Brewer, Hicks, Krikorian, JCP ]£, 182 (1962).
(16) Read, Vanderslice, JCP ]£, 2366 (1962).
(17) Ballik, Ramsay, ApJ 1J1., 61 (1963).
(18) Ballik, Ramsay, ApJ 1.J1, 84 (1963).
(19) Callomon, Gilby, CJP 41, 995 (1963).
(20) Jain, JQSRT ~' 427 (1964).
(21) Ortenberg, OS(Engl. Transl.) 16, 398 (1964).
(22) Jeunehomme, Schwenker, JCP 42, 2406 (1965).
(23) Barger, Broida, JCP ~' 2371 (1965).
(24) Bleekrode, Nieuwpoort, JCP ~' J68o (1965)1
Nieuwpoort, Bleekrode, JCP .21, 2051 (1969).
(25) Bugrim, Lyutyi, Rossikhin, Tsikora, OS(Engl. Transl.)
.1_2, 292 (1965).
(26) Mentall, Nicholls, PPS 86, 873 (1965).
(27) Spindler, JQSRT 2, 165 (1965).
(28) Fairbairn, JQSRT Q, 325 (1966).
(29) Fougere, Nesbet, JCP 44, 285 (1966).
(JO) Halmann, Laulicht, ApJ(Suppl.) 12, JO? (1966); JCP
44, 2398 ( 1966).
(31) Harrington, Modica, Libby, JCP 44, 3380 (1966).
(32) Sviridov, Sobolev, Novgorodov, Arutyunova, JQSRT Q, JJ?,
875 (1966).
(J3) Weltner, McLeod, JCP ~' 3096 (1966).
(J4) Bleekrode, PRR(Suppl.) No. 7 (1967).
(35) Verhaegen, Richards, Moser, JCP 46, 160 (1967).
(36) Kunz, Harteck, Dondes, JCP 46, 4157 (1967).
(37) Fink, Welge, JCP 46, 4315 (1967).
(38) Dibeler, Liston, JCP 11, 4548 (1967).
(39) Messerle, Krauss, ZN 22 a, 1744 (1967).
(40) Messerle, Krauss, ZN 22 a, 2015 (1967).
(41) Messerle, Krauss, ZN 22 a, 2023 (1967).
(42) Tyte, Innanen, Nicholls, IAMS 2 (1967).
(43) Arnold, JQSRT ~' 1781 (1968).
(44) Dhumwad, Narasimham, CJP 46, 1254 (1968).
(45) Meinel, Messerle, ApJ 12±., J81 (1968).
(46) Messerle, ZN~ a, 470 (1968).
(47) Phillips, JMS 28, 2JJ (1968).
(48) Phillips, Davis, BAMS ~ (1968)
(49) Verhaegen, JCP !±2_, 4696 (1968).
(50) Cisak, Dabrowska, Rytel, APP]£, 497 (1969).
(51) Herzberg, Lagerqvist, Malmberg, CJP 11, 27J5 (1969).
(52) Kini, Savadatt.i, JP B.~, JO? (1969).
(53) Smith, ApJ l.2Q, 791 (1969).
(54) Marenin, Johnson, JQSRT 10, 305 (1970).
(55) Kordis, Gingerich, JCP ~' 5058 (1973).
(56) Danylewych, Nicholls, PRS A J.J.2., 197, 21J (1974) •
(57) Cooper, Nicholls, JQSRT 1,2, 1J9 (1975).
(58) Veseth, CJP 2], 299 (1975).
(59) Roux, Cerny, d'Incan, ApJ 204, 940 (1976).
115
 116
State Te w
e
w x
e e Be «e De re Observed Transitions References
(lo-?cm- 1 ) (i) Design. l voo
r2c2+ µ = 5.99986286 n0o = 5.J2 ev a JUL 1976
A 2E-g (4014J) (1J40) [l.648]b [100] [1.306] A~x, 0 40137.8 z (2)*
(x)2nu d oe (1350) [1.659] [100] [1.301]

i2c2- µ = 6.00013715 ng = 8.48 eva I.P. = 3.54 evb JUL 1976 A

a 4E+u (19448) (1074) 0
(25) (l.135) 0
(0.0035) (1..573)
B 2E+
d :f B~X,h V
u
18390.88 1968.?J z 14.433 I l.87745e 0.01776 68.4g 1.22330 18483.98 z (l)*
A 2n u Fragments o:f absorption bands. A.,.,_ X, (7)
x 2E+g 0 1781.04 z 11.58/
lo 1.74685 0.0167 66.9 1.26821

40Ca µ = 19.9812961 n0 = 0.129 eva JUL 1976 A

2
A band system in the region 16100 - 16900 cm- 1 and assigned to ca 2 by (J) is in all proba-
bility the same as that usually ascribed to cao.b
Emission continuum from 19500 to 25000 cm- 1 • I (1)
A lE+ .!:-18963. 7 ~136.66° z 0.7166 d I? o. 058247° O. 000.3104 el o.459:r 63.8058 A+- X, g v 18999.7h z (2)(4)*
u
x lE+g 0.0007028 ~
0 z 0.046113 k
64.928 1.065/ 0.952 4.2773

4oca79Br µ = 26.5289081 0
DO = 3.28 eVa JUL 1976 A
H 36798.7 343.4 H 1.0 H-+A, v 20840.2 H ( 5)
20904.6 H
E 2E+ 33942.2 318.6b H 1.2 E-X, v 33958.8 H (4)
D 21:+ 31190.8 J26.6° H 1.02 D++X, v 31211.4 H (2)(4)
an 0°(c 2 ) + I.P.(C) - I.P.(C 2 ). c 2 - (continued) a
bPerturbations. (5) Singh, Maheshwari, IJPAP 2, 296 (1971).
cit is not entirely certain that the absorption spectrum (6) Bondybey, Nibler, JCP ..22,, 4719 (1972).
obtained in flash discharges through c2H2jHe mixtures (7) Lineberger, Patterson, CPL 1], 40 (1972).
is due to c2+ • (8) Cathro, Mackie, JCS FT II .§2, 237 (1973).
dNot certain that this is the ground state. Theoretical (9) Barsuhn, JP B z, 155 (1974).
calculations (1) suggest that 2nu lies at 0.7 eV above (10) Thulstrup, Thulstrup, CPL 26, 144 (1974).
the predicted 4 Eg- ground state. (11) Bondybey, Brus, JCP £1, 2223 (1975).
e A = - 8 • cm -1 •
0 0 (12) Brus, Bondybey, JCP §.1, 3123 (1975).
(1) Verhaegen, JCP 1.2, 4696 (1968).
aExtrapolation of the vibrational levels in X 1 E:.
(2) Meinel, CJP ..2.Q, 158 (1972).
bThe Bv values quoted by (3) are of the same order as
8From ng(c 2 ) and the electron affinities of c2 and of those for Cao.
C(=l.268 eV). cVibrational numbering unknown.
bPhotodetachment threshold (3). d - o.00374 (v+t)3- o.oooo8o(v+~) 4 •
cConstants derived (11) from the perturbations (1) in e - [2.15(v+t) 2 + o.097(v+!)J] x lo- 6 •
B 2E+. Ab initio calculations by (9) and (10) indepen- fH = + l.9xlo-14
e
dent~y predict the existence of a 4 E~ state slightly gRKR curves and Franck-Condon factors (4).
above B 2 E~ with re and w9 values near those derived hEnergy of the lowest observed vibrational ·level rela-
from the perturbations. .
tive to X 1 E+(v=O).
g
.
1
dw y = - 0.324. w y
. e e = + 0.0025 •
e e + 9
eSmall perturbations by a 4 Eu• Jfe = - 0.0000073 •
5
f
fe = - o. 00037 k + [0.0431 (v+t) + o.0010 (v+t) 2 ] x lo- 7 s He = - 1.4 x io-lJ,
7
g+ [1.0(v+t) + o.o8(v+t) 2 ] x lo-7. and higher order constants (4).
hThe spectrum was observed in flash discharges in CH4 (1), (1) Hamada, PM 12, 50 (19Jl).
behind reflected shock waves [f 0 L ~ 0.017 (8)], and in (2) Weniger, Proc. I. A. U._Colloquium on Late-type
rare gas matrices (2)(4)(6)(11)(12). Conclusive proof Stars, Trieste (1966), edited by M. Hack; p. 25.
that it belongs to c2 • was supplied by two-photon photo- (J) Kovalenok, Sokolov, ISOANK No. 4, 118 (1967); IVUZF
detachment spectroscopy (7). Franck-Condon factors (5). ll(J), 27 (1968).
i '
weye = - 0.027. (4) Balfour, Whitlock, CJP ..5.1, 472 (1975).
(1) Herzberg, Lagerqvist, CJP 46, 2363 (1968).
CaBrs 8F1ame photometric value (7)(8).
(2) Milligan, Jacox, JCP ,2!, 1952 (1969).
bNormal isotopic mixture.
(3) Feldmann, ZN~ a, 621 (1970).
cSlightly different constants in (6).
(4) Frosch, JCP .2!t, 2660 (1971).
(continued p. 119)
117
 118
State Te we wexe Be Ofe De re Observed Transitions References
(lo-?cm-1 ) (i) Design. l voo
4-oc a.19B r (continued)
c 2n 25537.5 265.2 H 0.97 Cd++ X, e R 25527.4 H
(2){10)
25314.o 25303.9 H
B 2r+ 16380.0 284.6 H 0.92 Bf+- X, g V 16379.6 H (2)
A 2n 15985.8 288.1 H 0.92 Ah+-1' X, i V 15987.2 H
(1)(2)
15922.5 15923.9 H
x 2!+ 0 285.3 H o.86

lf-O(a35(l µ = 18.6496606 D00 = 4.o 9 eVa JUL 1976 A

2 36712 20580 HQ
G ( 6)
J6708 4J4p0 HQ l.l G...,..A, v 20645 HQ (6)

F ( 2Il) 35700 432.5 H o.ab F-+B, 18884

v 18859 H
(6)
35676 H
F-+A, 19567
v 19612 H
(6)
H
E ( 2E) )4266.4 413.3 1.68 E-+ B, v 174)9.8 H (11)
E<E- X, v )4288.1 ( 5)
D ( 2t) 31107.8 42).4 1.061 D+- X, v 31134.5 (5)
c 2n r 26574.6 [333.86] z 1.4 H
0.14305 0.000747 1.02 2.5160 26557.80 z
Cd+-+X, R 26481.82 (l)(J){7)
26498.9 JJ6.o H [o.14216]c z
B 2r;+ 16849.4 366.7e f Bg+-+-X,h V 16847.6 H (1)(2) (J)
H 1.43 (14)*
16163.2 HQ
A 2n
16093.7 372.3 H 1.2 1 Aj~X, V 16164.J HQ
16094.8 (1)(2)(3)
x 2r+ 0 [367.53] z 1.Jl H 0.15195 0.000783 1.0 2.4390

i+-oca '9F µ = 12.8767412 n0O= 5. 48 ev a JUL 1976

F 2n 37547.8 681.7 H J.55 F~X, v 37595.1 H (4)(8)
E 2:r;+ J41J4.6 646.J H J.24 E......,X, v 34164.4 H (4)* (8)
D 2E+ 30771.9 650.7 H 2.89 D.,_ X, v 30803.9 H (4)*
c 2n )0284.4 481.7 H 2.02 C+-+X, 30232.1
R )0202.8
H
(1) (4)*
30255.1 H
 State w wx Observed Transitions References
e e e
Design. J v 00
40
(a 19 F {continued)
2 E+ 18844.5 566.lb Bd~X,e R
B 188J4.2 (Z) (1)(2)*
VR 16493.1 z
2n 16562.Jf 593.4 0.0028 (4.6) k 16565.6 (1)(2)* (9)
A
r 16489.8 [586.8] 1.952 A ~X,
z (12)
2
x E+ 0 [581.1] 0.0026 (4.5) 1.967 ESR sp. 1

CaBr (continued)1 CaCl (continued)1

dRadiative lifetime T(v=O,l)= J2. ns (9).
5
eFour heads.
fRadiative lifetime 'r{v=O) = 42. ns (9).
9 eRecalculated from the h~ads of the 0-0 sequence of B-X,
gDouble heads on account of large spin doubling in the
upper state. Constants refer to the short-wavelength
~Radiative lifetime 7:(v=l) = J4. 0 ns (9). I
head.
1
Four heads. For a reproduction of the spectrum see Fig.
le of (J) who wrongly attributed the spectrum to MnBr.
(1) Hedfeld, ZP 68, 610 (19Jl).
(2) Harrington, Dissertation (U. of California, 1942).
(J) Hayes, Nevin, PPS A 68, 665 (1955).
(4) Reddy, Rao, IJPAP §, 181 (1968).
(5) Reddy, Reddy, Rao, CS J.2., 485 (1970).
(6) Shah, IJPAP ~' 118 (1970).
(7) Gurvich, Ryabova, Khitrov, FSCS No. 8, 8J (197J).
(8) Khitrov, Ryabova, Gurvich, HT(USSR) 11, 1005 (197J).
(9) Dagdigian, Cruse, Zare, JCP 60, 2JJO (1974).
(10) Joshi, Gopal, Prama~a ~' 276 (1975).
CaCl1 ~hermochemical value (mass-spectrom.)(8)(9); in good
agreement with flame photometric results (10)(12).
b
wey e = +o. 06.
CA-type doubling (7).
dRadiative lifetime rr( 2 n~,v=O) = 25. 0 ns (lJ).
using for the ground state the constants given in the
Table. In good agreement with constants derived from E-B.
fThe predissociation above v=l5 reported by (4) is not com-
patible with a dissociation energy of more than 4 eV.
gRadiative lifetime 'L(v=O)= J8. 2 ns (13).
hDouble heads on account of g-type doubling in the upper
state. The constants refer to the short-wavelength head.
i
wey e = -0. 05. Average of the constants from F- A and G- A.
Considerably different constants are obtained from A- X
owing to large head-origin separations.
jRadiative lifetime T(v=2) = 28. ns (lJ).
9
(1) Walters, Barratt, PRS A 118, 120 (1928).
(2) Asundi, PIASA 1, 830 (19J5).
(J) Parker, PR 1,2, J49 (19J5).
(4) Hellwege, ZP 100, 644 (1936).
(5) See ref. (2) of CaBr.
(continued p. 121)
CaF 1 See p. 121.

119
 120
State Te w wexe Be ae De re Observed Transitions References
e
c10-4 cm-1 ) (i} Design. 1 voo

't°Ca'H µ = 0.98JOJJ88 ng ti: l.?O eVa I.P. = 5.86 evb JUL 1976 A

I (2E) [(4.60)] [(l.9J)] I+- X, (39477) {14)

H (2E) [(4.41)] [(1.97)] H+- X, (J8798) (14)
F 2E+ 36705 1487c 28 [4.6867] (2.017] [l.9128] F~X, v J6?97.05 z (11) ( 12)*
(14)
M [4.89] d [1.87] M+- X, 35481.8 d (22)*
26}
2 d
J n (4d) e (4.898]d [2.8] d [1.871] J+- x, 35068.53 (22)*
G
2 E+ (34735) [1458]f [4.765]d [1. l7]d [1.897] G+- X, 34819.5 d (22)*
2n } [1407.6]h (4.6204]h [1.920Jhi i.9148 L.. X, h (21)*
L (32680) g 0.1139 32739-37
K
2E+ C5p)(32640) [(1391)] h [4.601] hj (0.085) [l.93] hk 1.922 K+- X, 32691.l h (21)*

c 2E+ 28276 144.5 H 25 [ 4.58].tm [1. 7].(, [1.94] c~x, v 28348. 0J, (l)* (4)*
(7)
D 2E+ 22602 1150 z 33. 0 2.5on 0.01 2.62 D-+ X, R 22524 z (4)(6)
E 2n 20418° 1248.6 HQ 21. 8 [4.284] [2.2] (2.001] E~x,P v 20392 z ( 9)

Ca1Hs ~rom the predissociation in C 2t+, assuming dissociation e

A0 = + ).O.
into Ca(3p) + H( 2s). fFrom the proposed assignment of the 1-0 band by (14).
bFrom the observation of Rydberg states in the absorption {22) observe a diffuse single branch only.
spectrum (22). gA 0 =
+ 18.8, A1 =
+ 19.J.
cFrom isotope relations (12). hDeperturbed constants for the two interacting states which
dueperturbed constants for the three interacting states form the p complex. Small local perturbations.
which form the d complex. The 2 a component was not ob- i.n =2.0 6 x10 -4 rH =+ 4 .7x10. -9
512 1 4 0
served. Most of the lines are somewhat diffuse. The 2 n - 2 E Jp 1 levels not observed, presumably on account of predisso-
band whose low J lines are sharp had been misinterpreted ciation. In v=l both spin components seem to be predisso-
by (20) in terms of two overlapping 2E- 2 E transitions. ciated.
Small local perturbations. k
H =+2.5x10 •
-9
0
Ca 1H (continued)1
.t.Constants derived from high N value,l'J. At low N, v=O is flstrong perturbations for higher N values.
0
perturbed by a state of smaller B value. The observed A :::: 9.3.
origin of the 0-0 band is at 28352.5 cm- 1 • PTwo Q heads.
mAt low pressure predissociation above v=O, N=lO. (continued p. 123)

CaC.t. (continued)1 CaF (continued) 1

(6) Schtttte, ZN~ a, 891 {1954). hw
• e e
y = + 0.0619.
Morgan, Barrow, Nature .IJ!.2, 754 (1960). 1 2
(7) 11.-type doubling in Ili' Avfe = - 0.045(J+i).
(8) Zmbov, CPL~' 191 (1969). jThe possibility of predissociation above v=l6, as suggested
(9) Hildenbrand, JCP j_g, 5751 (1970). by (J), is now ruled out by the new value for ng.
(10) See ref. (7) of CaBr. kRadiative lifetime T(v=O) = 20. 2 ns (11).
(11) Khanna, Dubey, IJPAP 11, 510 (197J); 1J., 603 (1975). .t.In rare gas matrices at 4 K (10).
(12) Ryabova, Khitrov, Gurvich, HT(USSR) 10, 669 (1973). (1) Johnson, PRS A 122, 161 (1926).
(13) See ref. (9) of CaBr. (2) Harvey, PRS A .l:il, JJ6 (1931).
(14) Darji, Shah, IJPAP 1J., 187 (1975). (3) See ref. (4) of CaC.t..
CaF1 8Thermochemical value (mass-spectrom.)(5)(7): 5.8 eV by (4) Fowler, PR ..22., 645 (1941).
5 (5) Blue, Green, Bautista, Margrave, JPC .21., 877 (196J).
flame photometry (6).
bRecalculated from the heads of the 0-0 sequence using (6) Ryabova, Gurvich, HT(USSR) ~' 749 (1964).
for the ground state the constants given in the table. (7) Hildenbrand, Murad, JCP 44, 1524 (1966).
cUsing data from (2) and (12). (8) Prasad, Narayan, IJP ~' 205 (1969).
dRadiative lifetime T(v=O) = 25. 1 ns (11). (9) Subbaram, Rao, IJP ~' 312 (1969).
eDouble heads on account of large spin-doubling in the (10) Knight, Easley, Weltner, Wilson, JCP ~' )22 (1971).
upper state and high N values of the heads. (11) See ref. (9) of CaBr.
f A = + 73.4. (12) Field, Harris, Tanaka, JMS 51.., 107 (1975).
0
gw e y e = + 0.0051.

121
 122
State Te w
e wexe Be «e De re Observed Transitions References
{lo- 4cm-1 ) (i) Design. l voo
4-0C Q I H {continued)
I
B 24+}
2 (4p)
15762 1285 20 [ 4.3410Jl 0.116 [2.020Jqj l.9744 B._.X, v 15754.96q (2)(.3)(8)*
(15)(23)(24)
A 1441) 6 lJJJ 20 [4.J4769Jq 0.106 [l.88J]qt AHX, v 144JO.J9q (2)(3)(5)
Ilr 1.9740 (15)(23)(24)
x 2I:+ 0 1298.)4 z 19.10 4.2766u 0.0970 l.8J7v J 2.0025 ESR sp. w

4 °Ca. 2 H µ :: 1.91746270 D0o ~ 1.72 eva JUL 1976 A

F 2I:+ (36698) [1036.1] z l4b 2.434 0.051 [0.49]c 1.901 F+- X, v J6771.40 z (3)(4)(5)
M d

J 22A }
n (4d) d
J+- X, J50J4.16 8 (8)
G 2I:+ d
G"°' X, (34750) (8)(4)
2n } 02647 l f [1020.5.,Jg [2.J830]g 0.0412 [o.5018]gh 1.9125 X, 32713.61g (8)
L (15.9) L~

K
2E+ (Sp)(32615) [(1012)] g [2.J?51Jgi (0.019) [0.503] g 1.920 K4:- X, 32665.5 g (8)
c 2i:+ [(2.J5)]j ((0.44)] [(1.9J)] C-+ X, v 28)22 z (l)* (2)*
B 2I:+ 2.282k 0.045 [0.54]1. l.96J B-+X, v 15748.8 z (2)
x 2E+ 0 [910.4] z [2.1769]m 0.035 [0.4?9]n 2.0016

CaH+ The spectrum of CaH+ reported in the previous edition (MOLSPEC !) is in fact due to MgH.
ca1H (continued)s ca1H (continued)a
qDeperturbed constants for the strongly interacting states (22) Kaving, Lindgren, PS 10, 81 (1974).
A 2n and B 2E+r see (2J). For an extensive discussion of (23) Berg, Klynning, PS 10, J.31 (1974).
the rotational structure of the two states (including (24) Berg, Klynning, AA(Suppl.) !], 325 (1974).
spin and A-type doubling) see also (17)(18)(19).
ca 2Ha asee a of ca1H.
r
H0 + 4 .31 x10 -9 •
bFrom isotope relations.
sA 0 = + 79.0lr slight J dependence (2J). See also (17). c -4
tH = + 5.08 x 10-9. D1 =0.JOxlO.
0
dTerrn values, but no constants, determined (8) for v=O of
uSpin-splitting constant fv = + 0.042 - O.OOlO(v+~). 2
9 J n and G 2 E. M 2 ~ not observed with certainty. G 2 E(v=
vH e = + 5.51 x lo- 9 • .
win Ar matrix at 4 K (16). O) is perturbed by L 2 n(v=2). Smaller local perturbations
in J 2 n.
(1) Mulliken, ·pR £5,, 509 (1925).
;Qu(!) line.
(2) Hulthen, PR~' 97 (1927). A0 = + 19.48 , A1 = + 19.3.
(J) Watson, Bender, PR J.2, 1513 (19JO). gsee h of calH.
(4) Grundstr6m, ZP £2., 2J5 (1931). h_
·-n 4 -4 1H =-1.2 x10. -9
(5) Mulliken, Christy, PR J.§., 87 (1931). 1see1 =.0.95xlO 1 1 5
J of ca H.
(6) Grundstr6m, ZP 1.2, 302 (1932). jStrong perturbations. Breaking off above v'=O, N'=l8.
(7) Grundstr6m, ZP .2..5,, 574 (1935). kEffective value. Spin-splitting constant f ~ - 0.364,
(8) Watson, PR !±1., 27 (1935). but see (6).
(9) Watson, Weber, PR 48, 732 (19J5). J, D = O. 6 5 x 10 -4 •
1
(10) GrundstrBm, Dissertation (Stockholm, 1936). mSpin-splitting constant (o = + 0.0216.
(11) Khan, PPS 80, 593 (1962). nD = O. 61x10 -4 •
1
(12) Edvinsson, Kopp, Lindgren, jslund, AF £5,, 95 (1963).
(1) Grundstr6m, ZP 21, 171 (19J5).
(13) Khan, PPS .§1, 569 (1966).
(2) See ref. (8) of ca1H.
(14) Khan, Afridi, JP B !, 260 (1968).
(15) Liberale, Weniger, Physica 41, 47 (1969). ( 3) See ref. (12) of ca1H.
(4) See ref. (13) of ca1H.
(16) Knight, Weltner, JCP ..21, 3875 (1971).
(17) Veseth, JMS J.§., 228 (1971). (5) See ref. (ll+) of ca1H.
(6) See ref. (18) of ca1H.
(18) Veseth, MP 20, 1057 (1971).
(19) Veseth, MP 21, 287 (1971). (7) See ref. (20) of Ca1H.
(8) Kaving, Lindgren, PS !J, 39 (1976).
(20) Khan, Hasnain, NC B 18, J84 (1973).
(21) Kaving, Lindgren, Ramsay, PS 10, 73 (1974).

123
 124
State Te we wexe Be a-e De re Observed Transitions References
(10- 7cm- 1 ) (i) Design. l voo
4oca 1111 µ = JO.J920472 n0°~ 2.77 eVa JUL 1976
HQ
E ( 26) J6715.7 287.2 HQ 0.80 E-:>A, v 21092.8 (12)
J671J.J 21149.J HQ
D ( 2E) 31011.4 256.0 H o.8 D~X, v 31019.9 H (1)(8)
2n 23743.96 224.72 H o.53ob R 23736.98
H (l)(J)(5)*
"'-' 23315.51 229.75 H 0.633
c~x,
23311.03 H (6)*
d (1)(2)(6)*
B 2r+ 15715.2 2J9.95 H 0.62 Bc~x, 15715.8d
v 15712.4 H
(10)
A 2n 15645.6 241.69 H 0.83 Ae~x, v 15647.2 H (1)(2)(6)*
15586.2 242.65 H 0.62 15588.4 H (10)
x 2r+ 0 238.70 H 0.628

4oCa'60 µ = 11.42292245 ng ~ 4.76 :!: 0.15 eVa SEP 1976 A

Progression of absorption bands (6G~850) in Kr and Xe matrices, 20000 - 26000 cm- 1 ; ob-
served for both cal6o and cal8o, but not definitely assigned. (15)
Green system of strong emission bands, 17900-18300 cm- 1 ; only one (1)(5)(8)*
(B-+A') (18)
band (18276 cm-1) analyzed (18).
Orange system of strong emission bands, 15700 - 16700 cm-1 s no analysis. (1)(5)(7)*
(8)*
c lE+ 28857.8 560.9 z 4.o o.3731b 0.0032 (7) 1.989 c~x,c R 28772.4 z (4)* (11)
B ln 25991 [574.4] z o.388 2db 0.0055 (7) 1.950 B~ X, e R 25913.0 z (4) (11)
A lr+ 11554.8 718.9 z 2.11 o.4059 2f 0.00137 5.4 1.9067 A-+X, R 11548.84 z (J)* (6)*
(12)(17)
A' ln 84JJ 545.7 H 2.54 0.337 0.0021 2.093 A -+X,gR
1 8340 (20)*
a Jn.J. (8Jl3)h 556 3. J 0.335 0.0015 2.099
x lr+ 0 732.11 z 4.81i o.4445 2 0.00338 6.58j 1. 8221 k
Cali aLower bound from a crossed molecular beam experiment
(7); in agreement with the theoretical lower limit of
b.weY e = -0. 08 3. I
( 4).
cRadiative lifetime 'L(v=4) = 50. ns (11).
9
dDouble heads on account of large spin doubling in B 2 E.
eRadiative lifetime 'L(v=3,5) = 41. ns (11).
7
(1) Walters, Barratt, PRS A 118, 120 (1928).
(2) Hedfeld, ZP 68, 610 (1931).
(3) Mesnage, AP(Paris) 12, 5 (1939).
(4) Krasnov, Karaseva, OS(Engl.Transl.) 1,2, 14 (1965).
(5) Murty, Reddy, Rao, JP BJ, 425 (1970).
(6) Maheshwari, Shukla, Singh, IJPAP 2, 327 (1971).
(7) Mims, Lin, Herm, JCP 21_, 3099 (1972).
(8) Khanna, Dubey, IJPAP 11, 286 (1973).
(9) Khanna, Dubey, IJPAP 11, 375 (1973).
(10) Darji, Vaidya, IJPAP 11, 923 (1973).
(11) Dagdigian, Cruse, Zare, JCP 60, 2330 (1974).
(12) Kamalasanan, Shah, CS 44, 805 (1975).
Cao: aFrom the Ca+ C.tO 2 chemiluminescence spectrum ( 21) • By
contrast, the most recent mass-spectrometric (9)(10)
and flame-photometric (16) determinations - corrected,
where necessary, for a 1 E ground state - lead to Dg=
bPerturbations. I 4.04 eV.
cs system of (2).
dValue of BQ; BPR - BQ = +0.0005.
e£ system of (2).
fMany rotational perturbations by A' 1 rr and a 3rri (3)(17).
gDirectly observed for v• >9 only; vibrational numbering
determined from the perturbations in A 1 E+ (17).
hA = -58, from perturbations in A 1 E+ as are the other
constants for this state; see (17).
iThe vibrational constants in the Table are derived from
Cao (continued):
levels with v ~ 4 (.3) ( 4). From band heads in the A- X system
(v" ~ 13), and accounting for head-origin separations, ( 12)
.have derived we= 733.4, wexe= 5.28, weye= +0.044.
J13e = +O.O)x io-7.
kThe question whether this is the ground state was for long
in doubt but the observation by (19) of a fundamental fre-
quency of 707 cm- 1 in a nitrogen matrix seems to settle it;
see also (17) and the theoretical work of (14). For com-
puted 1 E ground state properties see (13).
(1) Lejeune, BSRSL 14, 318 (1945).
(2) Lejeune, Rosen, BSRSL 14, 322 (1945).
(J) Hultin, Lagerqvist, AF~' 471 (1951).
(4) Lagerqvist, AF~' BJ (1954).
(5) Gaydon, PRS A~' 4)7 (1955).
(6) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
(7) Rosen, Weniger, CR 248, 1645 (1959).
(8) Pearse, Gaydon, IDSPEC (1963).
(9) Colin, Goldfinger, Jeunehomme, TFS 60, 306 (1964).
(10) Drowart, Exsteen, Verhaegen, TFS 60, 1920 (1964).
(11) Veits, Gurvich, DC 11.J, 377 (1967).
(12) Brewer, Hauge, JMS _gj, )JO (1968).
(lJ) Yoshimine, JPSJ _gj, 1100 (1968).
(14) Carlson, Kaiser, Moser, Wahl, JCP j_g, 4678 (1970).
(15) Brewer, Wang, JCP ..2.Q., 4J05 (1972).
(16) Kalff, Alkemade, JCP .i2,, 2572 (197)).
(17) Field, JCP 60, 2400 (1974).
(18) Volnyets, Kovalenok, Sokolov, OS(Engl.Transl.) J.2., 609
(19) Ault, Andrews, JCP 62, 2)20 (1975). I
(1974).
(20) Field, Capelle, Jones, JMS 2±, 156 (1975).
(21) Engelke, Sander, Zare, JCP Q.2, 1146 (1976).
125
 126
State T we wexe Be «e De re Observed Transitions References
e
(lo- 6cm- 1 ) (i) Design. l voo

4oc 0 32s µ = 17.7617690 n00 = 3. 4 6 eV a JUL 1976

Continuous absorption from 41860 cm- 1 to higher wave numbers, observed and ascribed to CaS
by (1), but questioned by (4).
A lE+ 15220.79 409.04 z o.818 0.16666 0.00060 5 I 0.109 2.3864 A~X, R 15194.44 z (4)
x lE+ 462.23 z 1.78 0.17667 0.000837 0.102 2.3178
0
I
12cc19>Br (µ = 10.41616100) ng ~ 4.11 eva JUL 1976
26 b c
A2

Al
26
5/2

3/2
c
[o.4956]

d
[1.2]
} [1.815] 0
A2""""X 2 , V 32753.10 z
(A2+- Xl)
(Al+-X2)
(33218.4) H
(32699.1) H
f 33163.5
(1)(2)*

Al+- Xl'
2 g c [ o.4877] [o.6]
X2 Il3/2 } [l.82J]h
2 0 c
X1 n1;2

12c3sci µ = 8.9)41)850 Doa

0 JUL 1976

A 211 b [848.1] H [0.70620] [1.84] [1.6J46] A~X, v 35870.28~ z ())(4) (5)*

r 36003. 92 z (7)
2 d [865.48] z 0.70099 0.00678 [1.89] 0
x nJ/2 1.6450 Theoretical work on low-lying va-
2
Ill/2 0 [866.72] z 6.2 H o.6936f 0.00672 [1.9]g lence statesr see (9).

12cc3s>ct + JUL 1976

A ( 1 Il) 42).50 922.5 H 21.5 A-+X, R 42220 H (1)(2)
X ( 1E) 0 1175.0 H 5.0
l I l
CaSs aThermochemical value (mass-spectrom.)(3), corrected for CC.t, CC.t+ 1
a 1E ground state. Good agreement with (2).
8study of flame reactions suggests
b
Di=
3.34 eV (6).
(1) Mathur, PRS A 162, 83 (1937). A0 = + 7.04s see (8).
(2) Marquart, Berkowitz, JCP J.2, 283 (1963). cJ'=J/2 (average of F1 and {F 2}) relative to [J"=O}.
A 0 = + 1)4.92.
(J) See ref. (9) of Cao. d

(4) Blues, Barrow, TFS .Q.2, 646 (1969). e D = 2.30

. x 10
-6
1
fA-type doubling, 6v = O.Ol37(J+!).
CBrs ~rom the predissociation in A1 26 (v=O). Study of flame g -6
312 D = 2.0xlO •
reactions (3) suggests 2.8 6 eV. 1
b
A = + 28. (1) Barrow, Drummond, Walker, PPS A E:J.., 186 (1954).
0
0
6G"{i) - 6G'(-f) = + 93.7 (F 1 ) and+ 82.8 (F 2 ). (2) Kuzyakov, Tatevskii, NDVSK No. 2, 237 (1959).
dBoth v=O and v=l of A1 are predissociated. (3) Gordon, King, CJP J.2, 252 (1961).
eFrom the "true" B0 = o.4912. (4) See ref. (1) of CBr.
fundegraded diffuse band. (5) Verma, Mulliken, JMS £, 419 (1961).
gAO = + 466. (6) See ref. (J) of CBr.
hFrom the "true" B0 = 0.4872. (7) Ovcharenko, Kuzyakov, Tatevskii, OS(Engl. Transl.)
12,, 294 (1965).
(1) Simons, Yarwood, TFS jl, 2167 (1961).
(8) Merer, Travis, Watson, CJP 44, 447 (1966).
(2) Dixon, Kroto, TFS ..5..2, 1484 (1963). (9) Bialski, Grein, JMS 61, 321 (1976).
(J) Miller, Palmer, JCP 40, 3701 (1964).

127
 128
State w Observed Transitions References
e
(i) Design. I voo

NOV 1974 A
Large number of continua and diffuse bands. See (2), also (J)(4).

c111t->CcJ.(19> Br (µ = 46.61a527 8 ) NOV .1974

31463 253.Bb H 0.73 v { Jl474 H (1)(5) (8)*
c~x,
(JOJOO) c JOJlO H (5)(7)(8)*
Unclassified emission bands, 12JOO - 30300 cm- 1 • d B-+X, R
(l)(J)(4)(5)
(6)
0 2J0 • .5b H 0.50 l l
(lllf.)(d 35(1 {µ = 26.7549590)
0
Do = 2.1 2 eVa NOV 1974
E {2l:) 45398.4 264. 0 H 7.5b E~X, R 45J6J.3 H (5)* (7)*
{ J2502 399.0 HQ 1.5 v { 32536 HQ (1)(4)(6)
c ( 2n )
r 31485 0-0 sequence only.c I C+- X,
31519 HQ (11)
B ( 2l:) cm -1 • d B~X, R (2)(8)
x il:) 0
I
11
< ... >Cd Cs ?
133
(µ = 61.3364.s3 )
4 NOV 1974
Diffuse V shaded absorption bands at 18810 and 19120 cm- 1 • (1)

cw•>Cd. '9F NOV 1974

"Bands" found in emission in the same region (l)(J) have been shown by (4) to be peculiar
Cd lines. I
Narrow continuum at J5400 cm- 1 , and unclassified bands in absorption at J58.5.5, J5877, and (2)
1
J.5897 cm- •
(J4200)
0
(.5J5)
(5J5)
H
H
I E+- X, b R (2)

~~~~~~~~~_,__~~~~·~~~~~-'-~~~~~~·-·~~~_._~~~--''--~~~~'--~~~~~~~~~-L-~~~~~
 aFrom temperature dependence of diffuse molecular absor- CdC! (continued)•
ptioni average of the values obtained by (1) and (5). dConstants suggested by (9) are Te = 26010, we
(1) Kuhn, Arrhenius, ZP 82, 716 (1933). 153.5, wexe = 3.75.
(2) Finkelnburg, "Kontinuierliche Spektren", Springer, (1) Walter, Barratt, PRS A 122, 201 (1929).
Berlin (1938). (2) See ref. (1) of CdBr.
(3) Garton, PPS A 64, 430 (1951). (3) See ref. (2) of CdBr.
(4) Freedhoff, PPS .2£, 505 (1967).
(4) See ref. (3) of CdBr.
(5) Bruner, Corbett, unpubl., quoted in DISSEN.
(5) Cornell, PR ..,21, 341 (1938).
CdBrs aNa D line chemiluminescence in Na/CdBr 2 flames [(2), (6) Howell, PRS A 182, 95 (1943).
revised]. (7) Ramasastry, IJP 21, 267 (1947)
bAverage of constants given in (1) (em.) and (8) (abs.). (8) See ref. (4) of CdBr.
cNo agreement between constants derived from the analysis (9) Patel, Patel, IJPAP ~' 388 (1966).
of the emission spectrum by (7) (we = 237.0, wexe = 0.50) (10) See ref. (5) of Cd 2 •
and of the absorption spectrum by (8) (we = 253.0, (11) Wieland, unpubl., quoted in DONNSPEC.
wexe = 2.30).
CdCs1 (1) Barratt, TFS £2, 758 (1929).
dconstants suggested by (6) are Te = 24823, we = 105.4,
wexe = 1.70. CdF1 ~stimated thermochemical value (5).
(1) Wieland, HPA £, 46, 77 (1929). bRather diffuse heads.
(2) Horn, Polanyi, Sattler, ZPC B 1.Z, 220 (1932). (1) Pearse, Gaydon, PPS jQ, 711 (1938).
(3) Oeser, ZP .2.,2, 699 (1935). (2) Fowler, PR 62, 141 (1942).
(4) Wieland, in "Contribution a l'Etude de la Structure (J) See ref. (6) of CdCt.
Moleculaire", Vol. comm. Victor Henri, Ed. Desoer, (4) Pearse, Feast, Nature 12.J, 686 (1949).
Liege (1948), p. 229. (5) Besenbruch, Kana'an, Margrave, JPC .£2, 3174
(5) Ramasastry, IJP .£}, 453 (1949). (1965).
(6) Patel, Patel, IJP 41, 155 (1967).
(7) Darji, IJPAP ~' 240 (1970).
(8) Gosavi, Greig, Young, Strausz, JCP ..,21, 983 (1971).

CdC£1 aFrom temperature dependence of absorption spectrum (10).

Na D line chemiluminescence in Na/CdC£ 2 flames gives
l.J eV ~ ng~ 2.1 eV [(J), revised].
bPredissociation suggested for v~l.
cRevised analysis (11).
129
 130
State Te w
e w
ex e B
e
(X
e D
e re Observed Transitions References
(lo- 4cm- 1 ) (i) Design. I voo

(lllf-)Cd I H (µ = 0.99898612) D00 = 0.678 eVa NOV 1974 A

D D+-X, v 44136 H (9)
c 2r;+ (40202) [1567] H (50) [6.oo]b [1.68] C+- X, v 40314.9 z (7)* (9)*
B 2r;+ (24961) (lOOO)c (17) [2.95]C [2.39] B-+X, R 24749. 0 z (4)
23116d 1757.8 z 38.6 6.143 0.205 2.9 1.6574 v { 23277 .2 z (l)* (2) (4)
A 2rr{3/2 A-+X,
1/2 (22117) [1676.9] z 6.061 8 0.193 2.7 1.6686 22276.5 zf ( 5) ( 6)
x 2r;+ 0 g
[5.323]h i [3.14]j ESR sp. k
[1337.14] z [1. 780 5J

<11 "'>CcF·H (µ = i.97910657) NOV 1974 A

D [1056] H D~ X, v 44117 H (9)
c 2r;+ [1149] H (J7) Cof- X, v 40260 H (7)(9)*
J,
2rr{3/2 [1209~7] z 3.086 0.070 0.73 1.6614 v{23236.4 z
A A-+ X,
zf ( 4) ( 5)
1/2 [3.025] [0.57] [1. 6780] 22230.1
x 2r;+ 0 [2. 704]m m [o.76]m [1. 7743]

(lllf.)Cd. I H+ n00 = 2.1 eV a NOV 1974

A lr;+ 42934.1 1252. 0 z 8.6 4.851 0.082 2.9b 1.8651 A_.X, R 42680.6 z (1)
x lr;+

<11 ""l(d H+
1
0 1772.5 z J5.40c
l 6.071 0.190
I
2.9bd
I
1. 667 2

NOV 1974
A lr;+ 42930.6 887.2 z 3.44 2.452 0.028 o. 72 8 1.864 A..,.X, R 42746.8 z (2)
x lr;+

<11,,.>cd. c202> Hg
0 1262.5 z 19.01
l 3.075 0.0682
I o.48f
I 1.6643

(µ = 72.8301016) MAY 1976

Continuous emission at 21300 cm- 1 • (1)
Cd 1H, Cd 2H: CdlH+, Cd 2H+:
aShort extrapolation of the ground state. aValue given by Gaydon in DISSEN.
bAll observed levels diffuse due to predissociation. bValues for Hv also reported in (1).
cObserved up to v=l3. More accurate constants will de- cw y - O.J71.
pend on the analysis of numerous perturbations by A 2 rr. dfo: : + 0.1 x lo- 4 •
d
A0 = + 1012.8, A1 = + 1016.2. e/3 = + 0.08 x lo- 4 •
eA-type doubling bvfe(v=O) = + o.62(J+t) - ••• (3). fo:
f = + 0 .12 x lo- 4 •
fJ'=~ above N"=O. Svensson (4) uses a different definition. (1) Svensson, Tyren, ZP §..2, 257 (1933).
g6G(J/2, ••• , 9/2) = 1213.1 0 , 1065.8 4 , 881.1 0 , 635.2. (2) Zumstein, Gabel, McKay, PR .21, 238 (1937).
Estimated zero point energy ~ 708.
hSpin doubling 6v 12 (v=O) = + 0.60(N+t) - ••• (3)(4)(8). CdHg:. (1) McGeoch, Fournier, Ewart, JP B .2_, Ll21 (1976) •
. ;decreases rapidly with increasing v.
1
B1 , ••• , BS= 5.065, 4.758, 4.388, 3.893, 3.114.
j n , ••• , n ( 10 -4 cm-1) = 3.3 8 , 3. 6 3, 5 .oo,; 7.00, 1 6 .oo.
1 5
kin Ar matrix at 4 K (10)•
J,
A0 = + 1012.4.
mB = 2.536, n1 = 1.78x10-4 • Spin doubling lw 12 (v=O) ~
1
+ o.3l(N+t) - ••• (4)(8).
(1) Bender, PR .1£, 1543 (1930).
(2) Watson, PR 1£, 1134 (1930).
(3) Mulliken, Christy, PR J.§., 87 (1931).
(4) Svensson, Dissertation (Stockholm, 1935).
(5) Deile, ZP 106, 405 (1937).
(6) Stenvinkel, Svensson, Olsson, AMAF A 26, No. 10 (1939).
(7) Khan, PPS 80, 1264 (1962).
(8) Veseth, JP B ], 1677 (1970).
(9) Breckenridge, Callear, TFS f21.., 2009 (1971).
(10) Knight, Weltner, JCP .22, 2061 (1971).

131
 132
State w x
e e De re Observed Transitions References

~~~~__...~~--~-1-~~~~~--~~~-'-~~~~~-'-~~~~+K_1_0_-_c_m_-_~).__~(-~-)~~1--D-e_s_i_gn~·_....l_.~~v-0 _0 ~--11--~~~~-
1

(114-)(d 1211 (µ = 60.026479 )

5
o.4 ev ~ Dg ~ 0.9 eva NOV 1974
E ( 2 E+) (41912) 108.5b H 1.0 I E~X, R (41877)b H (1)(5)(6)
2
D ( n312 ) 29531.
7
196.8c H o.8
5
D+4> X, v 29540.7 H (1)(3)(6)*
(7)(11)*
c (2 Il1;2> 28230.5 188. 2d H 0.8 4 c~x, (V) 28235·2 H (5)(6)* (9)*
(11)*
B ( 2 E) Large number of emission bands from 15000 to 28000 cm-l.e B-+X, R (1) (J) (4) (8)
(10)
0
l 1
NOV 1974
Diffuse bands in emission at 22160 and 24370 cm- 1 , extending to lon-
ger wavelengths from the In lines at 4511 and 4102 ~. (2)
(F) e + 17549.J 76.2a H (F)-+ (E), R 17535.2a H (2)
(E) e lo4.5a H
D (
2E) c + 17336.7b 10 3. 8 H 0•3 D -t C , c V 17 3 54. 9 H ( 1) * (2 ) *
C ( 2E) c 67.3 H 0.1
a + 18017.0 210.4 H 18038.6 H
B ( 2 n) B-+A, c V (l)* (2)*
a+ 18008.8 212.2 H 0.15 18031.3 H
A (2E) a 167.5 H 0.70

(µ = 29.0323970) NOV 1974

-1
Diffuse V shaded absorption bands at 23850 and 23960 cm • (1)

(µ = 19.1288789) NOV 1974

Diffuse V shaded absorption bands at 24990 and 25160 cm- 1 • (1)
CdI1 8Na D line chemiluminescence in Na/CdI 2 flames [(2), Cd!n1 aFragments of a band system [system E of (2)] over-
revised]. lapping D~ C.
bVibrational numbering uncertain; compare (5) and (6). bve= 17J26.7 in (2) seems erroneous.
cAverage of constants obtained by (1) (emission) and cWrongly attributed to Hg!n by (1). More recently, it
(11) (absorption). was suggested that the D-C system is, in fact, due to
dAverage of constants obtained by (9) (emission) and Cd!n 2 ; see (3).
(11) (absorption). (1) Purbrick, PR 81, 89 (1951).
eit was suggested by (10) that these bands form two
(2) Santaram, Winans, JMS 16, 309 (1965).
separate systems and that for the system at shorter (3) Santaram, Vaidyan, Winans, JP B ~' 1J3 (1971).
wavelengths ve= 2J868.4, w~= 74.o, w~x~= 2.0.
fAverage of constants obtained by (1)(6)(9)(11). CdK, CdNa1
(1) Wieland, HPA ~' 46, 77 (1929). (1) Barratt, TFS~' 758 (1929).
(2) Horn, Polanyi, Sattler, ZPC B 11, 220 (19J2).
(J) Oeser, ZP .2,2, 699 (1935).
(4) Subbaraya, Rao, Rao, PIAS A j, 372 (1937).
(5) Howell, PRS A 182, 95 (1943).
(6) Ramasastry, Rao, !JP 20, 100 (1946).
(7) Wieland, Herczog, HCA .f.2., 1702 (1946).
(8) Wieland, in "Contribution a l'Etude de la Structure
Mol~culaire", Vol. comm. Victor Henri, Ed.Desoer,
Li~ge (1948), p. 229.
(9) Patel, Patel, Darji, IJPAP j, 526 (1967).
(10) Patel, Patel, Darji, IJPAP £, 342 (1968).
(11) Gosavi, Greig, Young, Strausz, JCP 2!±., 983 (1971).

133
 134
State w we x e Observed Transitions References
e
Design. 1
DEC 1974
Bands originally ascribed by (1) to CdO have later been shown by (2) to be due to Bi 2 •

DEC 1974
Diffuse V shaded absorption bands at 22280 and 22600 cm- 1 • Other unclassified bands in the
region 22500 - 24000 cm- 1 • (1)

(lllt-)(d. (32.) s (µ = 24.9646325) I DEC 1974

The assignment to CdS of two absorption continua with long wavelength limits at 31700 and
42500 cm- 1 (1) appears doubtful in the light of mass-spectroscopic evidence (2)(3)(4).

I DEC 1974
The assignment to CdSe of two absorption continua with long wavelength limits at 25500 and
43850 cm- 1 (1) appears doubtful in the light of mass-spectroscopic evidence (2)(3).

c11Lf.) Cd.c105>Tl l
Continuous emission extending to longer wavelengths from the Tl line at 3775 R. Intensity
DEC 1974

maxima at 26480, 25590, 24870 cm- 1 • (1)

Broad"continuous" band in emission at 20520 cm- 1 , accompanied by V shaded bands at 20929,
21018, 21109, 21199 cm- 1 • (1)
Continuous emission extending to longer wavelengths from the Tl line at 5350 R. Intensity
maxima at 18690, 17790, 17460 cm-1 • (1)

(JIH>)(e
2 (µ = 69.952742) DEC 1974
CdOs ~hermochemical value (J). CdSes aThermochemical value (mass-spectrom.)(2).
(1) Walter, Barratt, PRS A 122, 201 (1929). (1) Mathur, IJP 11, 177 (19J7).
(2) Barratt, Bonar, PM 2, 519 (19JO). (2) See ref. (3) of CdS.
(J) Brewer, Mastick, JCP 12., 834 (1951). (3) Berkowitz, Chupka, JCP .!±2, 4289 (1966).

CdRbt (1) See ref. (1) of CdCs. CdTl1 (1) Santaram, Vaidyan, Winans, JP B ~' lJJ (1971).

C~s ~hermochemical value (mass-spectrom.)(2)(3)(4). aAverage of several thermochemical values (mass-

(1) Sen Gupta, PRS A .Jl±.1, 438 (1933). spectrom.) ( l) ( 2) ( 3).
(2) Colin, ICB 26, 1129 (1961). (1) Balducci, De Maria, Guido, JCP .2Q, 5424 (1969).
(J) Goldfinger, Jeunehomme, TFS .22., 2851 (1963). (2) Gingerich, CC (1969), 9.
(4) Marquart, Berkowitz, JCP J.2., 283 (1963). (J) Gingerich, Finkbeiner, JCP ..2!±., 2621 (1971).

135
 136
State w
e Observed Transitions References
Design. J v 00

(µ = 10.206171.3) DEC 1974

(µ = 11.05204212) D
0
O
= 4 .7 eva DEC 1974

(µ = 81.102841) DEC 1974

(µ = 12.72903158 ) DEC 1974

(µ = 14.35388454 ) D00 = 8.1 8 eVa DEC 1974 A

Large number of bands in the region 11000 - 29000 cm- 1 (2)*. Tentative assignments by (4)(7),
revising earlier assignments in (1)(2):
D ~x , R 21379.1 HQ
1 1 (4)(7)
(772) [0.35290] F +-+X
2 2 , R 20834.21 Z (4) (7)(1)
D +-+x , R 20516.1 HQ (7)(1)
3 3
(798) [0.34984] c1 +-+ x1 , R 20273.84 z (4)(7)
A4 +-+ X4, R 19871. 7 HQ (7)
c ~x , R 16356.9 HR
3 3 (7)
G~ Yl' R 150,35.4 0 HQ (7)
(771) [0.34705] [2.81] [1.8395 8 ] B2 +-+X 2 , R 13804.01 Z (4)(7)(1)
A2 +-l>X 2 , R 12687.9 1 HQ (7)(1)
(749) [0.34672] [2.97] [1.84045] A1 +-+X 1 , R 12595.75 Z (4)(7)
A ....,.x , V 12162.2 HQ (7)
3 3 0
(866) [0.35061] [2.3] [1.8301]
(509) [0.3614 [7.J] [l.8027]
(844) [0.35214] [2.45] [1.82623]
(850) [0.35790] [2.54] [1.81148]
 State Te w w x Be ae De re Observed Transitions References
e e e
(10-7cm- 1 ) c~O Design. l voo
(1'1-0)( lf>Q
e (continued)
X4 ( 1$ 3 ) b x 2 + (2065)C (818) 0.35710 0.00108 [2. 71] 1.81350
X3 3¢4b (932) 0.35377 0.00114 [2.03] 1.82202
X2 3¢ 3b x2 [822.76] (Z) (J. 09) 0.35779 0.00179 [2.69] 1.81175
X1 3~2b (862) [O.J5452] [2.40] [1. 82009]

CeB1 aThermochemical value (mass-spectrom.)(l). Ce01 aThermochemical value (mass-spectrom.)(3)(5)(6)(8).

(1) Gingerich, JCP 2J., 746 (1970). bThese states give rise to absorption bands at a
temperature of 1900 °c (7). No details given for
CeCs ~hermochemical value (mass-spectrom.)(l).
transitions from Y2 , Y , Y4•
(1) Gingerich, JCP .2.Q, 2255 (1969). 3
cx 4 (v=0) is at 2060.25 cm-1 above x 2 (v=O). All other
Ceir1 aThermochemical value (mass-spectrom.)(l). separations are unknown [(7), no details].
(1) Gingerich, JCS FT II 1Q, 471 (1974). (1) Watson, PR 2J., 639 (19J8).
(2) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
CeN1 aThermochemical value (mass-spectrom.)(l). (J) Walsh, Dever, White, JPC £2, 1410 (1961).
(1) Gingerich, JCP 2±_, 3720 (1971). (4) Ames, Barrow, PPS .2..Q, 869 (1967).
(5) Ames, Wa~sh, White, JPC .z1, 2707 (1967).
(6) Coppens, Smoes, Drowart, TFS §.J., 2140 (1967).
(7) Barrow, in DONNSPEC (1970).
(8) Ackermann, Rauh, JCP 60, 2266 (1974).

137
 138
State Te w
e wex e Be Of.a De re Observed Transitions References
(lo- 6 cm- 1 ) (A) Design.
l voo

(l'f-O)(e (to6>pd. (µ = 60.276395) 0

Do = 3.30 eVa DEC 1974-

(llf.O)(e (195)Pt 0
(µ = 81.4-54)61) Do = 5.71 eVa DEC 1974

(llf.o>ce roa Rh (µ = 59.293219) 0

Do = 5.65 eVa DEC 1974

(1lf.o>ce<31>5 (µ = 26.0247376) 0
Do = 5.86 eVa DEC 1974

12c19F µ = 7.35459964 0
D0 = 5.67 eVa I.P. = 9.20 evb AUG 1976
Fragments of additional systems in the absorption spectrum above 50000 cm -1 • (15)
c• 2z:+ [1. 5327]C [3. J] [1. 223] c·~ x, v 53597.0 (15)
D 2Il 52272.5d 1803.9 z lJ.O 1. 7301 0.0193 6.5 1.1510 D~ X, v 52519.9e (15)
B 26 r 49J99.6f z 19.4g H h 4.0 Bi~x, R 49J40.lj z (l)* (2)
[115J.J4] 1. J206 0.0228 1.3174 (lJ)*
(l)* (2) (J)
A 2I:+ 42692.9 1780.45 z 30.7.3 l.7228k 0.01891. [6 .8o]m 1.15.35 An~x, v 42924.17° z (4)(5)(6)
(15)
a 4I:- (2200o)P (1J24)P (ll)P (l.302)P (O.Ol3)P
x 2Il oq 1J08.l z 11.lOr 1.4172 8
0.01840
t 6.5 1.2718 ESR sp.( 2Il1) u (12)
r 2

CF+ CF- 1
Theoretical calculations (14). AUG 1976

CePda ~hermochemical value (mass-spectrom.)(l). CePt, CeRha aThermochemical value (mass-spectrom.)(l).

(1) Cocke, Gingerich, JPC .z§., 2JJ2 (1972). (1) Gingerich, JCS FT II 1Q, 471 (1974).
CeSi <a.rhermochemical value (mass-spectrom.)(l), revised (2).
(1) See ref. (6) of Ceo.
(2) Bergman, Coppens, Drowart, Smoes, TFS 66, 800 (1970).
CF, CF+, CF-,
<a.rhermochemical value (mass-spectrom.)(17). From the pre-
dissociation in A 2E+a ng~ 5.74 eV.
bPhotoionization (11) and electron impact (17) appearance
potential measurements; supported by theoretical calcu-
lations ( 14).
cLine width increases with N. Vibrational numbering un-
certain.
dA ~ + 0.2 or + 6.5.
eBy extrapolation from the 1-0,2-0, and 3-0 bands; the
0-0 band was not observed.
fAo = + 0.76. The alternative value, A0 = + 4.48, leads to
disagreement between observed and calculated relative
line intensities (15).
gw e y e = - o.4.
hstrong perturbations in v=2 (15).
1Radiative lifetime 'l:"(v'=O) = 18. ns (8) (10); f (B~ X) =
8 00
0.022 (recalculated for a 2 ~ upper state). See also (9).
jJ'=J/2 (average of {F 1 } and F 2 ) relative to J"=l/2 (ave-
rage of F1 and {F 2 1>· The band centres in (13) must all
be reduced by 1.4 cm- 1 (15) owing to an error resulting
from the incorrect application of the vacuum correction.
kPredissociation above v=l, due to a curve crossing with
the a 4 E- state at an internuclear distance smaller than
re; see (15)(16).
Loe= - 0.0028 (B 0 and B1 from (6), B2 from (15)).
mn 1 = 7.1 0 x lo- 6 (6), n 2 = 9.0 0 x lo-6 (15).
nRadiative lifetime ~(v'=l) = 19. 0 ns (8)(10)1 f 00 (A~X) ~
0.0027, fet ~ 0.026 (7)(10). See also (9).
0
N'=0 relative to J"=t (average of FJ.. and {F2} ).
CF, CF+, CF- (continued)1
Ppreliminary results of theoretical calculations (15)(16).
qA v = + 77.12 - 0.~55v + 0.0057v 2 •
rw e y e = + 0.093, we z e = - 0.0011
8
.1\.-type doubling; see (6).
tr. = + 0.00011.
e +
uµet(C-F ) = 0.65 D1 polarity predicted by the theoretical
work of (14)and (16).
(1) Andrews, Barrow, Nature 1:.§2, 890 (1950)1 PPS A 64,
481 ( 1951).
(2) Margrave, Wieland, JCP 21, 1552 (1953).
(3) Mann, Broida, Squires, JCP 22, 348 (1954).
(4) Kuzyakov, Tatevskii, OS 2, 699 (1958).
(5) Thrush, Zwolenik, TFS 22., 582 (1963).
(6) Porter, Mann, Acquista, JMS 16, 228 (1965).
(7) Harrington, Modica, Libby, JCP 44, 3380 (1966); 15.,
2720 (1966)(Erratum).
(8) Hesser, Dressler, JCP 15., 3149 (1966).
(9) Wentink, Isaacson, JCP 46, 603 (1967).
(10) Hesser, JCP 48, 2518 (1968).
(11) Walter, Lifshitz, Chupka, Berkowitz, JCP j!, 3531
(1969).
(12) Carrington, Howard, MP 18, 225 (1970).
(13) Carroll, Grennan, JP B }, 865 (1970).
(14) O'Hare, Wahl, JCP 22, 666 (1971)0
(15) w. P. White, Dissertation (Ohio State Univ., 1971)~
and C. W. Mathews, private communication.
(16) Hall, Richards, MP _gj, 331 (1972).
(17) Hildenbrand, CPL jg_, 523 (1975).
139
 140
State Te we wexe Be ae De re Observed Transitions References
(lo-4 crn- 1 ) (i) Design. l voo
12c1H µ = 0.92974056 0
Do = J.46 5 eVa I.P. = 10.64 evb AUG 1976 A

Several unassigned absorption bandsc above 80000 cm-1 • (26)

Rydberg series joining on to G, v = 85850 - R/(n- 0.09) 2 I n = J,4,5,6 (26)*
d 72960 (26)*
G [74J7J] G~X,

F 2:r:+ [65945] [12.17]e [1.221] F<E- X, 64531.sf

R z (26)*
E 2n [~5625] [12.6]g [1.20] E~X, R 64211.7f z (26)*
D 2n. [60J94]h [13. 7]g [1.15] D~B, v JJ282.8f z (26)*
l.
D-+- X, 58981.of z (26)*
c 2:r:+ 31801.5 2840.2 z i 14.60.Jjk 0.7185.t [15.55]m l.114J Cn~X, o VR Jl778.lf z (l)(J)(lO)*
125.96
(26)
B 2:r:- (26044) [1794.9]P z [12.645]qk r [22.2] 6 Bt~X, o R 25698.2f z (2)* (J)
[1.1975]
(10)* (26)*
A 26 23189.SU 2930.7 z 96.65 14.934Vk 0.697 15.4w 1.1019 Ax<rl>X, o V 23217.5f z (J)(6)(10)*
(12)*
a 4:r:- (5844) (.3145) ( '72) (15.4) (0.55) (l.085) 5985y (48)
x 2n oz 2858.5 z 63.02 14.457a'b'k 0.534 14.5 1.1199 A doubling sp.a' (J9)
r
!!?, initio calculations• ref • in (44)
..I.

c1Ha aFrom the predissociation in the B state (26) as modified fThe band origins refer to the zero points of the Hill-Van
by (41) and (49). Confirmed thermochemically by (lJ). Vleck formulae for the ground and excited (Ay O) states. see
bFrom Rydberg series (26). Theoretical photoionization gHomogeneous predissociation. also (11). I
cross section (J6). hA = - 28.5.
i
cAccording to theoretical work (J5) they represent the nf weye = + lJ.55, weze = - J.9571 from CD using isotope rela-
series. tions.
dJd complex consisting of 2:r:, 2n, 26. jSpin splitting constant f ~ + 0.05 {26)(37). Predissocia-
eSpin splitting constant 00 = + o.6 2 • Heterogeneous pre- tion, see n.
dissociation. kSlightly different sets of constants from the same data are
c1H (continued) a
given by (37) for X, A, B, C and (40) for x, A. Precise
values for the rotational energy levels of X 2 n(v=O) in
(15); tables of term values for levels of X, A, B, C in (37).
t + o.0258(v+.~.) 2 - o.023(v+i)31 see i.
---u 1 = 1 6 • 7 x 10 -4 , D = 20 x 10 -4 •
m...
2
nLifetime of C 2E+ anomalously small on account of predis-
socia tion (24)(26)(28)(38). According to (49) the life-
time in v=O varies from 10 ns at N=l to 25 ns at N=24 and
is even shorter in v=l. The previous observation of dif-
ferent lifetimes for F1 and F2 levels is not confirmed.
The lifetime for CD is more than twice that for CH (28)
indicating that predissociation is weaker (26). Ab initio
theory (46) gives a radiative lifetime ~(v=O) = 89 ns
suggesting that the radiationless and the radiative tran-
sition probabilities are approximately in the ratio 8 a 1
(49). From absorption experiments (21) an f value of
0.006 was derived for the C- X transition.
0
wavenumber and wavelength tables and comparisons with
the solar spectrum published by {7). 1 3cH lines for A- X
measured by (23) and use~ to determine 1 3c;12c ratio in
the sun. Franck-Condon factors {17)(33). The laboratory
absorption spectrum was first observed by (5) in the ace-
tylene combustion initiated by the flash photolysis of
No 2 1 in flames by {9)1 and more recently by {14)(19)(26).
Pvery shallow potential curver we ~ 2251, wexe ~ 230 (from
CD). A small potential maximum has been established in
this state (26)1 confirmed by theoretical calculations
(32).
qSpin splitting constant OO = - 0.0285 (3), dl = - 0.020
{26). Breaking off in emission above v'=O, N'=l5 and v'=
1, N1 =6 and broadening in absorption at higher N' due to
predissociation1 see also t. Selective excitation of v'=l
in hydrogen flames and suppression of breaking off (4).
rBl = 11.160.
s D = 32. 8 x 10 -4 •
1
tRadiative lifetime 'C = 0.38 µs (20)(21)(28) corresponding to
f ~ 0.0029. (41) and (49) have measured lifetimes of indivi-
dual rotational lines finding a regular increase from 0.32
to 0.38 µs from N'=2 to 14 (v'=0)1 sudden drop to 0.12 µs
for N'=l5 due to predissociationr see, however, (45). Inv'=
1 the lifetime is o.40 µs until breaking off occurs between
N'=6 and 7.
.uA = - i.o 2 (26), see also (6)(37).
vStark effect, µet(v=O) = 0.89 D (42).
WA
'"e=+O. 4 xlO -4•
xLifetime ~(v=O) = 0.534 µs (49) corresponding to f = 0.00531
superseding earlier less precise values by (8)(20)(28)(31)
(43). (34) from shock tube absorption measurements obtain
fe = 0.001~. A theoretical f 00 = 0.0068 is given in (46).
The observation of a reduced lifetime in v=l for N >11 (49)
suggests a weak predissociation probably caused by X 2 n.
YT 0 , from laser photoelectron spectrometry of CH- (48). Theo-
retical calculations (32) give 5395 cm-1 • The vibrational
and rotational constants given are theoretical values1 see
also (29).
zA = + 27.95. Slightly higher values in (16) and (37).
a'A-type ·doubling, Av f::1 o.038x N(N+l) - • •• • For the lowest
J values more complica.ted formulae apply, see ( 15) and ( 16) •
The transition between the two A components of J=~ has been
observed with its hyperfine structure in emission in inter-
stellar clouds (39). The .derived J=i A-doublet separation is
3320.987 MHz, close to earlier predictions by (15)(30) and a
subsequent theoretical calculation by (39a). Predictedi\.-
doubling and hyperfine splittings for other J values in (47).
b'stark effect, µet= 1.46 D (18).
(continued p. 143)
141
 142
State Te w
e
w x
e e Be tre De re Observed Transitions References
(lo-4 cm- 1 ) (i) Design. l voo

12c2H µ = 1. 7246 3610 n00 = 3.50 0 eVa I.P. = 10.64 evb AUG 1976 A
c X, (5)*
G G~ 72955
F 2E+ [65605] [6.86]d [1.194] F..- X, R 64563.9e z (5)*
D 2n.l. (59038)f (2025) [7.425] [4.o] [1.1474] D+- B, v 3J212.0e z (5)*
c 2E+ 31818.l 2081.J z 66.79g 7.879hi o.283j [4.5]k 1.11)8 ci~x,1.vR 31801.Je z (2)(5)
B 2E- 2604J 1652.5m z l2J.8 7.104i O.J4ln [6.36] 0 l.17Jo Bi~x, 1, R 25796.9e z (1)(2)(5)
A 2A 2Jl84.4 220J.J z 78.50 8.0J2 0.260 [4.5]P l.10.32 A......., X, L V 2J225.le z (2)
x 2n r oq 2099.75 z 34.02 7.806r 0.208 4.2 1.1190

c2its ~rom the predissociation in B 2E- of CD. The revised mThe B state is too shallow for these constants to have much
value of ng( CH) would imply ngc CD) = J. 51 2 eV. physical meaning.
bFrom I.P. {CH). nO. = - 0.095.
csee d of c1H. oe 4 4
D1 =7.2xlO ,D 2 lJ.9xlO.
dHeterogeneous predissociation. p D = 4 .7xl0 4
1
esee f of c1H. qA = + 27.95.
f A = - 27.7. rJl.-type doubling, Av i:::: O. 009 x N(N+ l) for higher N values. The
gw y = + 5.364, w z = - l.15s these two constants are splitting for J=i is predicted (8) to be 1241 MHz.
e e e e 2
derived under the assumption that AG of X Il is linear
(l) See ref. (2) of c 1H.
in v+i. (2) Ger8, ZP fil, 709 ( 1941).
~Spin splitting constant oo = + 0.06 (5).
( J) See ref. (17) of c1H.
1
Lifetime and predissociation see (4)(5)(6). For B 2E-,
(4) See ref. (24) of c1H.
v=O, breaking off occurs above N'=24, for v=l above N'
( 5) See ref. (26) of c1H.
=16. For C 2E+ the predissociation is much weaker for
(6) See ref. (28) of c 1H.
CD than for CH; see n of c1H.
( 7) See ref. (JJ) of c1H.
j + O • O07 5 {v+i:) 2 - O• 00 5 {v+-f) J.
(8) Hammersley, Richards, ApJ ~' L6l (1974).
kD 1 , ••• ,D4 (10-4cm-1 ) = 4.9, 5.2, 6.J, 9.
!Franck-Condon factors (J)(7).
c1H (continued) a c1H (continued) 1
(1) Heimer, ZP 2§., 771 (19J2). (27) Le Calv~, Bourene, Schmidt, Clerc, JP(Paris) JQ, 807
(2) Shidei, JJP 11, 2J (19J6). (1969).
(J) Ger6, ZP 118, 27 (1941). (28) Hesser, Lutz, ApJ 12.2, ?OJ (1970).
(4) Durie, PPS A .§2, 125 (1952). (29) Liu, Verhaegen, JCP j], 7J5 (l970)o
(5) Norrish, Porter, Thrush, PRS A 216, 165 (195J). (JO) Baird, Bredohl, ApJ 1§.2, LBJ (1971).
(6) Kless, Broida, ApJ _!gJ, 166 (1956). (Jl) Smith, JCP ..2l±, 1J84 (1971).
(7) Moore., Broida, JRNBS A .§J, 19 (1959). (J2) Lie, Hinze, Liu, JCP j]_, 625 (1972); .i2,, 1872, 1887
(8) Bennett, Dalby, JCP .:.g,, 1716 (1960). (197)).
(9) Gaydon, Spokes, van Suchtelen, PRS A £l§., J2J (1960). (JJ) Liszt, Smith, JQSRT 12, 947 (1972).
(10) Bass, Broida, NBSM No. 24 (1961). (J4) Kuz'menko, Kuzyakov, Kuznetsova, Kudryumova, Chuev,
(11) Garstang, PPS 82, 545 (196J). HT(USSR) 2, 82) (1972).
(12) Pearse, Gaydon, IDSPEC (196J). (J5) Walker, Kelly, JCP j]_, 9J6 (1972).
(lJ) Brewer, Kester, JCP 40, 812 (1964). (J6) Walker, Kelly, CPL 16, 511 (1972).
(14) Bleekrode, Nieuwpoort, JCP ~' J680 (1965). (J7) Botterud, Lofthus, Veseth, PS~' 218 (197J).
(15) Douglas, Elliot, CJP ~. 496 (1965). (JS) Elander, Smith, ApJ 184, 663 (197J).
(16) Goss, ApJ ~. 707 (1966). (J9) Rydbeck, Ellder, Irvine, Nature 246, 466 (197J)s Rydbeck,
(17) Halmann, Laulicht, ApJ(Suppl.) 12, JO? (1966). Ellder, Irvine, Sume, Hjalmarson, AA~. 479 (1974).
(18) Phelps, Dalby, PRL 16, J (1966). (J9a)Hammersley, Richards, Nature £51, 597 (1974).
(19) Bleekrode, Thesis (Amsterdam, 1966)s (40) Krupp, ApJ 1J!2, )89 (1974).
PRR(Suppl.) No. 7 (1967). (41) Brooks, Smith, ApJ ~' 51J (1974).
(20) Fink, Welge, JCP 46, 4Jl5 (1967). (42) Searl, Dalby, CJP jg, 1429 (1974).
(21) Linevsky, JCP !±1., J485 (1967). (4J) Jprgensen, Sprensen, JCP 62, 2550 (1975).
(22) Pathak, Singh, IJPAP j, 1)9 (1967). (44) Meyer, Rosmus, JCP .2.J., 2356 (1975).
(2J) Richter, Tonner, ZA §1., 155 (1967). (45) Anderson, Peacher, Wilcox, JCP .§J., 5287 (1975)0
(24) Hesser, Lutz, PRL gQ, J6J (1968). (46) Hinze, Lie, Liu, ApJ £22, 621 (1975).
(25) Sharma, Singh, Pathak, IJPAP 2, 44J (1968) (47) Levy, Hinze, ApJ 200, 236 (1975).
(26) Herzberg, Johns, ApJ ~' J99 (1969)s (48) Kasdan, Herbst, Lineberger, CPL .J!, 78 (1975).
(49) Brzozowski, Bunker, Elander, Erman, ApJ £.Q.Z, 414 (1976).

143
 144
State Te we wexe Be «e De re Observed Transitions References
(lo- 4 cm-1 ) (i) Design. l voo

11c1H+ °
D0 = 4.o8 5 eva AUG 1976 A
B lA (525J4) 2075.5 z 76.J 11.937 0.620 lJb 1.2325 Bc-+A, v 28537.9 z (5)('7)*
b JI:- (J8200) [1939] 11.705d 0.538 13.5 1.2446 b8 -+a, R 28580 (5)('7)*
A ln (24111) 1865.35 z 115.85f 11.89a ghi
8 0.9414j 20 l.2J44 Ak+-+X, t R 23596.94 z (l)* (2)*
a Jn (9200)m (2814) 14.048 i 0.603 14 1.1361
x lt+ 0 [2739.70] z (64)n 14.1'7?6 i o.4917 14 1.1309

12c2H+ D0
o = 4 .13 ev a AUG 19'76 A
A ln (241J8) [1248.5] (Z) Ab...,.X, R 2J'74? .6 (Z) (1)
x lt+ 0 (Z)
[2029.J]
I
12c1H- Do=
0 J.43 eVa I.P. = 1.238 evb AUG 1976
5
lA

l
a (6828) (JOOO) (l.lO)c 6815d (2)
x 3t- 0 (3025) (l.08 )c
9
12c 121
1 µ = 10.96331634 a
AUG 1976

c1H+s ano0 cc 1H) + I.P.(C) - I.P.(C 1H). ClH+ (continued)s

b/3e= Jx 10-4
cLifetime 0.22 µs [average of (8)(19)(21)].
dMass-spectrometric observations suggest a predis-
sociation of this state for v > 1 into the Jr;+ state
arising from c+( 2P) + H( 2s) i see (10) (17).
eLifetime 0.48 µs (19).
fw e y e = +2.64. These constants do not fit higher
vibrational levels.
gA-type doubling, 6vef(v=0) = +0.0398 J(J+l). The split-
ting decreases with increasing v.
hTables of term values, and somewhat different con-
stants based on the same data, are given by (14).
iTheoretical potential functions for all states arising
from c+( 2P) + H( 2s) are given by (11). A 1 n RKR curve
.Jte = -0.0019. see r in (4).I
c1H+ (continued)• c1H+ (continued)1
kThere is considerable disagreement between lifetime ( 14)See. rfef ~ ( 37) of c1H.
measurements by different authorsa (15) Green,·Mojt-n~~ein, Bender, ApJ 112., 671 (197J).

v = 0 1 2 J 4 (16) Hobbs, ApJ 181, 79 (197J).

Ref. (19)1 ~ = 408 495 5JO 465 525 ns, ( 17)Newton, Sciamanna, JCP ~' 1'292 ,( 1973).
Ref. (21)1 ~ = 250 270 290 ns. (18) Yoshimine, Green, Thaddeus, ApJ 1.§J, 899 (197J).
(19) Brzozowski, Elander, Erman, Lyyra, ApJ !.21, 741
Earlier determinations (9)(1J) gave much lower values (1974).
probably because of overlapping N2 bands. Following are
(20) Banyard, Taylor, JP B ~' LlJ7 (1975).
the averaged f values recommended by (21)1 f 00 = 0.013 6 , (21) Brooks, Smith, ApJ 12§., JO? (1975).
f 10 = 0.009 1 , f 20 = 0.003 6 • The theoretical values (18) (22) Rao, Murty, Rao, Rao, PL A~' 177 (1975).
are f 00 = 0.00645, r 10 = 0.00431, r 20 = 0.00173.
!Occurs in interstellar absorption (1)(6)(16). Franck- c2H+1 8From the value for C1H+.
Condon factors (from ab ini tio potential energy curves) bLifetime ~(v=O) = 64 ns (2)1 r 00 = 0.06 2 • This value
in (15); see also (J)(22). seems doubtful whencomparedwith more recent results
mFrom a theoretical calculation (11). A~ 2J (7). for c1H+; seek of c1H+.
nAverage of a theoretical value (20) and several esti- (1) Cisak, Rytel, APP A J2., 627 (1971).
mates based on experimental results. (2) See ref. (Jl) of c1H.
(1) Douglas, Herzberg, CJR A 20, 71 (1942).
(2) Douglas, Morton, ApJ .!J1, l (1960). c1H-1 8From n0qc 1H) and the electron affinities of c1H [=
(J) Nicholls, Fraser, Jarmain, McEachran, ApJ .!J1, J99 I.P.(CH-)] and C (1.268 eV).
( 1960). bFrom laser photoelectron spectrometry of CH- (2). A
(4) Read, Vanderslice, Jene, JCP ]1, 205 (1962). theoretical value by (1) is 1.6 1 ± O.J eV.
(5) Carre, Dufay, CR B 266, 1367 (1968). c!ndirectly from a Franck-Condon analysis.
d
(6) Herbig, ZA 68, 24J (1968). T0 , from the photodetachment spectrum of CH-.
(7) Carre, Physica 41, 63 (1969). (1) Cade, PPS ,21, 842 (1967).
(8) See ref. (28) of c1H. (2) See ref. (48) of c1H.
(9) See ref. (Jl) of c1H.
(10) Lorquet, Lorquet, Wankenne, Momigny, Lefebvre- CI1 ~tudy of flame reactions (1) suggests ng= 2.1 7 eV.
Brion, JCP 2.2, 4053 (1971). (1) Miller, Palmer, JCP 40, 3701 (1964).
(11) Green, Bagus, Liu, McLean, Yoshimine, PR A j, 1614
(1972).
(12) See ref. (JJ) of c1H.
(lJ) Anderson, Wilcox, Sutherland, NIM 110, 167 (197J).
145
 146
State w we x e Observed Transitions References
e
Design. J v 00

35(12 µ = 17.4844268 0 Dg= 2.47936

7
eVa I.P. = 11.50 eVb SEP 1976 A
Rydberg series joining on to P1 v(l-0)=9.3200-R/(n-0.54) 2 , n=J ••• 71 fragmentary (9)
vibrational structure. I
Fragments of additional band systems in absorption at v >65000 cm- 1 • (8)(9)
Emission continua in the ultraviolet with maxima at )2640 9 J.3810, 34700~ 35450, 36220p (J)
36820~ 38970, 41140, 42500, 43710, 45500, 46610~ 47670; 50060, 51850, 53890 cm- 1 • 0
p (74405) (621) ( 3) P<E- X~ 74436 (8)(9)
0 [o.184 0]d 0-+Xv R 74018.5d Z (41)*
N [0.1193]d N,X, R 73363. 3d Z (41)*
M (7285.3) (636) (4) M+- X, 72891 (8)
K (64024) (460) K~x, e 63975 (5)
J (616J8) (520) ( 3) J+- X, 61618 (8)
I 61438 262.3 H 0.812 r-..B, v 43632 H (7)
H (594J2) (510) H4:- X? 59408 ( 8)
G (58629) (208) G-+X, e R 58454 (5)
F (.5826J) (442) F+- X 9 58205 ( 8)
E 57953 249.75 H 0.875 E+-+ B, R 40140.0 H (6)(1.3)*
( J4)
D (5J.568) (440) ( 1. 5) t D+- X, 53508 (8)
Continuous absorption above N.52600 cm- 1 at high pressure. (1)(8)
c 1
nu Continuous absorption with maximum at 30500 cm-1 $ c~x/ (2)(4)(15)
(18)(19)
B 3n +
0 u 17809 H 5.3h I o.1625 6 i (14)* (16)*
(2J)*
;
8From the convergence limit in B Jn 0+ (see h). From the gSince high resolution data (14)(23) are available only for
same limit (J6) gives Di= 19997.14 cm-l or 2.47934 eV
9 vii!:. 5 the constants given here are from the low resolution
presumably by using a different value for the 2P1; 2 - emission work of (16) (band heads); they are valid only for
2P energy difference in CL I. Here we used 882.36 cm- 1 O~ v!f!:. 6. For 6 < v< 22, (11) give we = 259.57, wexe = 4.753'
312
from (22). weye = - 0.067 , w0 ze = + 0.00212. The band origin of the
7
bFrom the photoelectron spectrum; average of (25) and (29). 6-0 band is at 1899J.79 cm- 1
Photoionization (12), in agreement with the Rydberg series 9 hconvergence limit 20879.64 ~ 0.14 cm- 1 (J6)(J8). See (28)
yields 11.48 eV. (30)(32)(37)(38) and the review in (J6) for relation of
cThey have been interpreted (3) as being due to transitions high vibrational levels to long-range internuclear poten-
from stable excited states at 58000 (possibly F), 67700 tial.
and 75000 cm- 1 to the repulsive states arising from 2P + iThese constants are based on bands with 5~v'6 13 (2J). Bv
2P. The upper states at 67700 and 75000 cm- 1 are consi- values up to v = 31 have been determined ( 14) ( 2 3) •
dered to be lg states and, therefore, are not observed in jre = - 0.00009 1 •
absorption from the ground state. k + O• 2 25 x 10 - 7 ( v+! ) + O. O15 x 1 o- 7 ( v+! ) 2 • See i •
dUpper levels of four extensive resonance series (10)(41). £Estimated radiative lifetimes in (36a).
The v' values are uncertain. The resonance fluorescence mFranck-Condon factors from RKR potentials (26). For a dis-
spectrum is excited by the CL I lines at 7J983 and 73344 cussion of the repulsive part of the potential see (35).
cm- 1 in a discharge through ct 2 and involves transitions (continued p. 148)
to ground state levels with v"6 59. The ground state dis-
sociation energy derived from these resonance series (41)
agrees now very well with the more accurate value from
the B- X system.
eThese systems [called J- X and H- X by ( 5) J have not been
observed in absorption. For this reason (8) suggest that
they may actually be due to CL 2+ •
fThe angular distribution of photo-fragments confirms the
assignment of the upper state of the continuum to 1 nu
(21); see also (J5) and (40). The B~X transition, how-
ever, contributes to the weak low-frequency region of the
continuum; for a discussion of quantitative data see (J6a).

147
 148
State Te we wexe Be ae De re Observed Transitions References
(lo-7cm- 1 ) (R) Design. I voo

3sCl2 (continued)
A (Jnlu) (17440) (265) H (5) AL~x,n (J6a)
A• (Jn ) (17160) 0
(280)P A' ~x, q (42)
2u
x lL:+ 0 559.7{
8
z 2.67/ o.2439 r o.0014 u 1.86 1. 987 9 Pressure induced IR
g 9 9 absorption at 549 cm-1 (20)
Raman sp. (24)(27)(31)
{JJ) (4J)

CL 2 (continued)1
nTwo weak progressions, not belonging to B-X and tentatively ylO 559.7507 Yol 0.244153
assigned as 1-v" and 2-v" with v" = 8, 9, ••• , were observed y20 - 2.694271 yll - o. 0015163
in the chlorine atom recombination spectrum and in the spec- YJO - J.J2527 x 10-J y21 - J. 9078 x lo- 6
trum of the nitrogen trichloride decomposition flame1 see Y40 - 2.27337 x 10-4 YJl 7. 0811 x 10-8
references in (36a). Y50 J. 92041 x lo- 6 Y41 - .5. 5875 x 10- 9
0
Not observed in the gas phase (see q)1 in an Ar matrix this Y6o - 6. 02984 x io- 8 - 1. 9195 x lo- 7
Y02
new state is located 650 cm- 1 below the B 3n 0+u state.
Yoo - O. OJ51 Y32 - J.1678 x 10-12
PEstimated from isotope shifts.
qLong-lived (tv76 ms in Ar) emission in rare gas matrices The same authors give, in addition, G(v) and Bv values up
from V=O of a new low-lying state following excitation into to V=59 and have determined an accurate RKR potential func-
the B or C state; see (42). tion. The long-range portion agrees very well with that
rThese constants are based on the lowest six vibrational predicted from theory.
levels (2J). The following Dunham coefficients have been s550.8 in liquid ct 2 (JJ)r 554.6 in solid argon (J9)(42).
t
derived by (41) from a detailed analysis at high resolution wey e = -0. 0067"
u
of the resonance series excited by the CL I lines at 1351.7 oe = -o. 000001 7 •
and 1363.5 j; they represent all levels up to v=401
CL 2 (continued)1
(1) Cordes, Sponer, ZP Q.1, JJ4 (19JO).
(2) Gibson, Bayliss, PR 44, 188 (19J3)r Gibson, Rice,
Bayliss, PR 44, 19J (193J).
(J) Asundi, Venkateswarlu, IJP 21, 101 (1947)r
Venkateswarlu, PIASA 26, 22 (1947).
(4) Sulzer, Wieland, HPA ~. 653 (1952).
(5) Haranath, Rao, JMS £, 428 (1958).
(6) Venkateswarlu, Khanna, PIASA !±.2., 117 (1959).
(7) Khanna, PIASA !±.2., 29) (1959).
(8) Lee, Walsh, TFS ..,22, 1281 (1959).
(9) Iczkowski, Margrave, Green, JCP J1, 1261 (1960).
(10) Rao, Venkateswarlu, JMS 2, 17J (1962).
(11) Richards, Barrow, PCS (1962), 297.
(12) Watanabe, Nakayama, Mottl, JQSRT £, J69 (1962).
(13) Briggs, Norrish, PRS A £Z.2., 51 (1963).
(14) Douglas, M.P'J.ler, Stoicheff, CJP 41, 1174 (1963).
(15) Jacobs, Giedt, JQSRT 2, 457 (1965).
(16) Clyne, Coxon, PRS A £2§., 424 (1967).
(17) Todd, Richards, Byrne, TFS .Qj, 2081 (1967).
(18) Clyne, Stedman, TFS 64, 1816 (1968).
(19) Palmer, Carabetta, JCP !±.2., 2466 (1968).
(20) Winkel, Hunt, Clouter, JCP 29_, 1298 (1969).
(21) Busch, Mahoney, Morse, Wilson, JCP j1, 449 (1969).
(22) Radziemski, Kaufman, JOSA ..2.2., 424 (1969).
(23) Clyne, Coxon, JMS J1, 381 (1970).
(24) Holzer, Murphy, Bernstein, JCP 2£, 399 (1970).
(25) Cornford, Frost, McDowell, Ragle, Stenhouse, JCP 2!±.,
2651 (1971).
(26) Coxon, JQSRT 11, 44J, 1355 (1971).
(27) Hochenbleicher, Schr6tter, AS _gj, J60 (1971).
(28) Le Roy, Bernstein, JMS J.Z., 109 (1971).
(29) Potts, Price, TFS Qz., 1242 (1971).
(JO) Goscinski, MP 24, 655 (1972).
(Jl) Hendra, Vear, SA A 28, 1949 (1972).
()2) Le Roy, CJP 29_, 953 (1972).
(JJ) Wallart, CJS !2, 128 (1972).
(34) Wieland, Tellinghuisen, Nobs, JMS 41, 69 (1972).
(J5) Child, Bernstein, JCP 22, 5916 (1973).
(J6) Le Roy, in "Molecular Spectroscopy", Vol. ,!, p. llJ.
The Chemical Society (1973).
(J6a)Coxon, in "Molecular Spectroscopy", Vol. ,!, p. 177.
The Chemical Society (197J).
(J7) Yee, Stone, MP 26, ll69 (197J).
(J8) Le Roy, CJP 2£, 246 (1974).
(J9) Ault, Howard, Andrews, JMS ..22, 217 (1975).
(40) Brith, Rowe, Schnepp, Stephens, CP 2, 57 (1975).
(41) Douglas, Hoy, CJP jj, 1965 (1975).
(42) Bondybey, Fletcher, JCP 64, J615 (1976).
(4J) Edwards, Good, Long, JCS FT II 2£, 927 (1976).
149
 150
State w we x e Observed Transitions References

I
e
(i) Design. v 00

µ = 17 .. 48428965 O
D0 "' JQ95 ev a SEP 1976
(J4400)b
c [o.177s]d c [2.329]d 227lJ·6 .. 96 dz
} (20000) b
c c
[o .. 1788]d [2.J22]d 22199054 d z (4)~·

645b 644 .. 77 z 20988 Oe2697 0000167 L890

7
9
0 645 .. 61 z 3.015 Oe2695 0 0.00164 L.8 le8915

{µ = l7c48456394) n0O = i~2 6 eva SEP 1976 A

[79400] 650C
I (6)
[o] For computed ground state characteristics see (J)o

µ = 12.3102869 I.P. = 12.,66 evb SEP 1976 A

For binding energies of F(ls) and Cl(2s) core electrons in C!F see (14)e
J6J.l Z 8. 64 c 0.3319 d 0.004 7e (10) 2.0Jl B+-X, R 18614. f Z (2)(5)
3
786.15g Z 6.16 1g 0.516478 8 0.004357 807 1.628313 Infrared sp.~ (J)
7 7 Raman sp. (liquid), (1)
microwave and mol. h (9)(15)
beam el. reson. sp ••

(3S)Cl 19 F+ D0
0
= 2.93 ev i SEP 1976
(41500)j (7)(10)
(29500)j (7)(10)
63oj
(7)(10)
0
8From ng (CL2), I.P.(Cl.2), and I.P.(CL). C.tF, C.lF+a
bFrom the photoelectron spectrum (5)(6).
aOf the two possible values derived from the convergence
cseveral higher vibrational levels have been observed and
of the B-X system thermochemical data (16) strongly fa-
analyzed (4) but they do not form regular progressions.
vour the higher value given here. But (17) considers the
The vibrational constants quoted in (la) from (1) just
lower value (2.558 1 eV) equally likely; see also (6).
as the later values of (2) must be considered as erro-
bFrom the photoelectron spectrum (7)(10)i in good agree-
neous (4). The partial rotational analysis of (3) agrees
ment with photoionization [12.65 eV (6)] and electron
essentially with the more extensive one of (4).
impact [12.7 eV (4)] appearance potentials.
dLowest observed vibrational level, not necessarily v=O;
cw y = - 0.124 • The vibrational and rotational constants
I see c.
h!v: been recalculated from data in (5) for J~ v~ 8.
ew e y e = + 0.007.
(1) Elliott, Cameron, PRS A ,!.2!, 681 (1937)1 164, 531, Lower levels are not observed, higher levels are affected
(la)Herzberg, MOLSPEC 1 (1950). I (1938). by a perturbation. See also (lJ). Convergence of v'-0 ab-
(2) Haranath, Rao, IJP J,g,, 401 (1958). sorption progression at 21514 cm -1 •
(3) Rao, Rao, CJP 1£, 1557 (1958). dPredissociation (diffuseness) of 11-0, 12-0, 13-0 bands
(4) Huberman, JMS 20, 29 (1966). at 21254 - 21399 cm-lo See co
e
(5) See ref. (25) of Ct 2 • Oe = - o.ooo 477 ; see c •
(6) See ref. (29) of Ct 2 • fExtrapolated from the 3-0 band.
gRecalculated by (17) from the infrared data of (3). v0 of
8From ng (c.t. 2 ) and the electron affinities of c.t. 2 and Ci.
the fundamental, 773.83 cm- 1 ~ agrees rather poorly with
(3.613 eV).
M(~) = 773.46 from the electronic absorption spectrum (5).
bFrom endoergic charge transfer (2)(4)(5)(7)1 slightly
hµ et (v=O) -- o• 8881 D (9)8 the sign of the dipole moment is
higher value (2.5 2 eV) from dissociative electron attach-
+CtF- (11)(14)(18)~ see however (8)(12). eqQ(CL) and
ment (1).
0 other hyperfine structure constants in (9)(15). Zeeman
single progression of resonances in the scattering of
effect (8), gJ = - 0.1089 µN.
electrons by Ci. 2 indicating the existence of a doubly ex- . 0
~From D0 (Ci.F) ~ I.P. (C.tF), and I.P. (Ct).
cited (preionizing) state of Ci. 2- with the X 2ng state of
JFrom photoelectron spectra ( 7) ( 10).
c2 + as "grandparent" (6).
2 kFrom (10)1 (7) give 912 ! JO cm-1 •
(1) DvCOl'pO, Franklin~ JCP .,2t, 1885 (1971).
(1) Jones, Parkinson, Burke, JCP 18, 2J5 (1950).
(2) Chupka, Berkowitz, Gutman, JCP ..2.2, 2724 (1971).
(2) Schumacher, Schmitz, Brodersen, AAQA J!l, 98 (1950).
(J) G.U"beJ1.•t, Wahl, JCP ..i5,, 5247 (1971).
(J) Nielsen, Jones, JCP 12., 1117 (1951).
(4) Jaade, Phyaica .22_, 541 (1972).
(4) Irsa, Friedman, JINC Q, 77 (1958).
(.5) Hughes, Lif'shi tz, Tiernan, JCP ..22,, 3162 (1973) •
(5) Stricker, Krauss 9 ZN £1 a, 1116 (1968).
(6) Spence, PR A 10, 1045 (1974).
(6) Dibeler, Walker~ McCulloh, JCP jJ, 4414 (1970).
{7) Tang, Leffert, Rothe, Reck, JCP 62, 132 (1975).
(continued p. 153) 151
 152
State Te we wexe Be tre De re Observed Transitions References
(10-6crn-1 ) (i) Design. l voo
.35(1160 µ = 10.97493095 n0o = 2.7505 eva I.P. = 11.0 evb SEP 1976 A
Several unclassified absorption bands in the region 67000 - 79000 cm- 1 • (14)
H (74125) (1025) H H•X, v 74212 H (14)
G (2ll) { 73913 1075 H 10 G•X, v 73105
73986
H
(14)*
73878 H

F ( 2:r:) 69109 [lOOl]c H F"=- X, v 68869

69181
H
H
(14)*

c2:r:> 1070 H 4 E+- X, v 67120 H

(14)*
E 67333 67445 H

D ( 2:r:) 64486 1050 H 2 D+- X, v 64269 H . (14)*

64582 H

c (2:r:) 58448 1062 H c~x, v 58554 582)4 H

(14)*
J H
{ J2169 Jl682.9g z (1)(2)(J)*
A 2n 519.5 z 7.2d o.445 e o.oo6f [l.Jl] 1.858 A~X, R (4)* (16)*
i Jl650 0 Jl482.l z (17)*
Jl8h Matrix IR and Raman sp. (12)(15)
x 2n
i { 0
a53. 8i z 5.5j 0.623449 k 0.0058.t [l.JJ] 1.56963
Microwave sp. m (7)(8)
EPR sp.m (5) (6) (9) (11)

(3s)Cl i&o- I.P. = 2.5 evn SEP 1976

c.to, c.to-,
8:Frorn the convergence lirni t of the A+- X, 2nl. ~ 2n! subbands ein absorption observed to v'=25 of 2nj [Bv' Dv values in
(16) assuming dissociation into 2 P~ + 1n. ~ ~ (16)(17)], close to the dissociation limit at 38052 cm-1
bMass-spectrometric studies and the5retical calculations1 above X 2 n~(v=O). The constants are for levels with v~9.
'I
see (10). All absorption and emission bands are diffuse on account of
c6G(J/2) = 950, ~G(5/2) = 980. predissociation. Linewidths indifferent bands vary from 0.3
dw e y e = - 0.11; see e to J .1 cm -l and are > 5 cm -l in v' =6 ( 16) •
ClO, Clo- (continued) a
f (1) Pannetier, Gaydon, Nature 161, 242 (1948).
re = + 0.000024.
gNote that there have been several changes of vibrational (2) Porter, DFS 2, 60 (1950).
numbering [see, e.g., (13)]s here we have used that of (3) Porter, Wright, ZE ..5.Q., 782 (1952).
(16) and (17). (4) Durie, Ramsay, CJP J2., J5 (1958).
hFrom the VUV absorption spectrum (14)1 confirmed by EPR (5) Carrington, Dyer, Levy, JCP !±1, 1756 (1967).
spectrum (5)(11). (6) Carrington, Levy, Miller, JCP !±1, J801 (1967).
1The effective we values for 2ni and 2nt are 853. and (7) Amano, Hirota, Morino, JMS _gz, 257 (1968).
0
854.9 cm-1 , resp. (17). (8) Amano, Saito, Hirota, Morino, Johnson, Powell, JMS ..lQ,
jw e y e = - 0.02. 275 (1969).
kFrom combined microwave and ultraviolet data1 the micro- (9) Uehara, Morino, JMS J2., 158 (1970).
2 2
wave values of (8) are B0 ( nl) = ~.619773 and B0 ( ni) = (10) O'Hare, Wahl, JCP ~' 3770 (1971).
0.621231. A-type doubling inithe Ili component, 6vfe = (11) Uehara, Tanimoto, Morino, MP 22, 799 (1971).
(+)0.02249(J+t). (12) Andrews, Raymond, JCP .,22, J087 (1971).
Lre = + 0.000016. (13) Briggs, Nature PS £12, lJ (1972).
mDipole moment from Stark effect of microwave spectrum (14) Basco, Morse, JMS iS., J5 (1973).
µeL(v=O) • 1.23 D (8), from Stark effect of EPR spectrum (15) Chi, Andrews, JPC '12., J062 (197J).
9
1.18 D (6). eqQ and other hyperfine structure constants (16) Coxon, Ramsay, CJP ~. lOJ4 (1976).
in (8)(11). (17) Coxon, Jones, Skolnik, CJP ~. 104J (1976).
nindirectly from thermochemical data and mass-spectrome-
tric studies; also theoretical calculations; see (10).

CLF, CLF+ (continued)a

(7) Anderson, Mamantov, Bull, Grimm, Carver, Carlson, (12) McGurk, Norris, Tigelaar, Flygare, JCP j!!, 3118 (1973).
CPL 12, 1J7 (1971). (13) See ref. (35) of ct 2 •
(8) Ewing, Tigelaar, Flygare, JCP .2£, 1957 (1972). (14) Carroll, Thomas, JCP 60, 2186 (1974).
(9) Davis, Muenter, JCP j1, 28J6 (1972). (15) Lovas, Tiemann, JPCRD j, 609 (1974).
(10) DeKock, Higginson, Lloyd, Breeze, Cruickshank, (16) Nordine, JCP 61, 224 (1974).
Armstrong, MP 24, 1059 (1972). (17) Coxon, CPL 11, 136 (1975).
(11) Green, JCP j!!, Jll7 (1973). (18) Janda, Klemperer,Novick, JCP 64, 2p98 (1976).

153
 154
State Ul Ul x a-e De re Observed Transitions References
e e e
(lo- 6cm- 1 ) (i) Design. I v00

µ =6.46219329 ng= 7.76 eVa 7

evb I.P. = 14.1 SEP 1976 A
Theoretical work (24)(46)(48)(50)(63). RKR potential curves (15) ( 44) (53).
Franck-Condon factors (2la)(53), and ref. in (27)(44).
J 21:::,.. 65258.19C 1121.76 z 14.203d 1.3052 0.0208 5.8 1.4137 J_..A, R 55667.14ez (8)*
1

H
2 [61969.7Jf [1.520] [1. 310] H-..B, R 35140.81/ z (7)
II(r)
G 2II [61655.o]gh [l.085]g [1.551] G....,.B, R 34826.1 0g z (7) (43)
F 21:::,. 60095.64i 1239.5 0 z 12.75 1.3834 0.0187 7 1. 3732 F+A, R 50563.8 0e Z (7)* (22)
r (47)
E 2E+ 5915i.18 1681.43 z 3.6oj 1.4871 o.oo643k 5.0 l.3245 E-+A, R 49842.47 (8)* (47)
E+-+ X, R 58959.85 z (8)* (43)*
D 2n.
1
54486.Jl 1004.7 1m z 8.78 l.162m 0.013 7 1.498 D-+A, R 44838.0 8 ez (7)*
D-+ X, R 53955.46 (7)*
a 4E ( +) (32400)n
B 2E+ 25752.0 1. 973° [6.6] 1.150 B-+A, V 16680.46 (31)(54)*
[For a comprehensive review of molecular data on the B-X system in- (l)* (2)*
cluding a bibliography of references prior to 1972 see (44)]. Bp-E--+ X q V 25797. 84 Z (4a)(5)(7)
I ' R (9)(32)(64)
A 2n.1 9245.28r 1812 • .5/ Z 12.6o t
9
l.715lsI O.Ol708u .5.93sv 1.2333 I I Aw'-+X,x R 9117.38°z ( 3)* (Ja)
(4b) (7) (9)
[For a useful compilation of molecular data on the A-X system and a (16)* (28)
bibliography of references prior to 1971 see (44).] (32) (44)*
IR fundamental b. (62)(70)
0 206s.59 z 13.os7Y 0.017369 a' Microwave sp.c' (66)(71)
ESR sped' (41) (73)
CNs aBased on 6H~ 0 (CN) = lOJ.2 ! 2.5 kcal/mole recommenaea ~H
(46a). It represents an average value obtained from mass-
spectrometric (14) and shock tube studies (10)(1J)(J9)(56)
and from the photo-ionization (25)(JJ)(J7) and -dissocia-
tion (J5) of CN containing molecules and their decomposi-
tion in collisions with Ar metastable atoms (J4). The most
recent quantitative absorption measurements by (69) toge-
ther with lifetime measurements in the B-X system (see P)
tend to support the slightly higher value, ~H~ 0 105.5 !
2 kcal/mole, of (J7), giving Di= 7.66 eV. Gaydon (JO)
recommends 7.7 eV.
5
bindirectly from a combination of photo-ionization (25)(JJ)
and -dissociation (J5) threshold energies for HCN and ClCN;
in good agreement with an electron impact appearance poten-
tial of 14.2 eV (14). Similar photoionization data for HCN
(J7) suggest, however, 14.0J eV. Theory predicts 14.10 eV
( 69a).
CAO= - 26.90, Al= - 25.67, A2 = - 25.40, AJ = - 24.97: re-
calculated from (8) with an improved A0 for A 2 rri.
d 5
weye = + 0.180.
eRefers to the zero point of the Hill-Van Vleck formula for
A-:f 0 states.
f
A 0 = <+) 49. 5r
gVibrational numbering unknown1 only the v'~l band at
J2702.6 0 cm- 1 was identified. See also (48).
hlAI even smaller than in the D state.
~AO + 28.77, A1 = + 27.86, A2 = + 27.06.
Jw y - 1. 02.
k e e
nte = - 0.00077.
"'Ao = - J.OJ.
mVibrational numbering uncertain.
nPredicted by ab initio calculations (46)(48). This state is
probably responsible for the small perturbation in v=ll, N=
20 of B 2 E+ (67); see also (58).
\ rn
'-. '- u111 much improved ~G ( v+~), Bv' Dv values for v ~ 7 in
(64), but no equilibrium constants given. Spin-rotation in-
teraction constant to = + 0.01565 [from the magnetic reson-
ance spectrum (59)], for higher v see (64). Perturbations
by A 2 rr (in v=O at N=4, 7, 11, 15; see s), and by a 4 E(+)
(seen). From Stark effect of the P(l) and R(O) lines in
the B-X, 0-0 band (J6) determine for the B state µet(-CN+)
= 1.15 D.
PRadiative lifetime "C'(v=O) = 65. 6 ns for the unperturbed
levels and 72 ns for the pertubed N=4 level [tunable laser
excitation (65)]. Phase shift measurements (42) give 59 ns
for v=0-2, in good agreement with the direct decay measure-
ments, 60. 8 ns, of (57). From the zero-electric-field-limit
linewidth of the anticrossing spectrum (51) derive J9 ns.
The electronic f value for the B- X system at J860 5t, f =
O.OJJ, is primarily based on shock tube emission and ab-
sorption measurements1 for a review see (56).
qFor 0-0, 0-1, 0-2 bands of 1 3c 14N see (4).
rAv = - 52.64 + o.036 v + o.oo86v 2 , v~l2 (21).
sThe vibrational and rotational constants given here are
those of (21) based on the measurements of (16); see also
(7). More elaborate evaluations, primarily intended to
assist in the identification of CN lines in the solar spec-
trum, have been published by (4Ja) and (45); note, however,
that the constants tabulated in (4Ja) are not the usual
Dunham coefficients. An extension of the system to bands
with v' ~25 (J2) requires the use of slightly different vi-
brational constants.
A-type doubling, for details see (J)(21). The rotational
perturbations by B 2 E+ in v=lO have been the subject of
many experimental and theoretical investigations (12)(17)1
microwave-optical double resonance (11)(18)(19)(29)(J8)(40)
(52), level anticrossing spectroscopy (49)(51)(60),magnetic
(continued p. 156)
155
 156
CN (continued)1
resonance (59). Hyperfine structure constants in (52), (1) Jevons, PRS A 112, 407 (1926).
µe.l(+CN-) = 0.56 D (60), Il V) L: interaction parameters (59). (2) Jenkins, PR Jl, 539 (1928).
tweye = - 0.0118. (3) Jenkins, Roots, Mulliken, PR J.2., 16 (1932).
Ute = - 0.0000364• (Ja) Parker, PR 41, 274 (1932).
v~ -6
l"e = + 0.0 4 2 x10 • (4) Jenkins, Wooldridge, PR ..2], 137 (1938).
5
wRadia ti ve lifetime 'T: = 0. 68 µs (average for 1 ~ v ~ 9), (4a) White, JCP ~' 79, 459 (1940).
corresponding to f 00 = 0.0034 (20), in good agreement with (4b) Herzberg, Phillips, ApJ 108, 163 (1948).
(70). A shock tube emission study (55) gives fe.l = 0.0045 (5) Feast, PPS A 62, 121 (1949).
at 10970 R. See also (26)(68). A considerably shorter life- (6) Kiess, ApJ 1.Q.2, 551 (1949).
time for v=lO, 't:= 0.14 µs, was derived by (51) from the (7) Douglas, Routly, ApJ(Suppl.) l, 295 (1955).
anticrossing and microwave linewidths. Calculated relative (8) Carroll, CJP _1t, 83 (1956).
absorption coefficients at three different temperatures in (9) Kiess, Broida, JMS 1, 194 (1961).
(61). (10) Knight, Rink, JCP J.2, 199 (1961).
xRotational analyses of the 0-0, 1-0, 2-0, 2-1, 3Gl bands of (11) Barger, Broida, Estin, Radford, PRL 2, 345 (1962).
1 3c 14N in (23)(72). (12) Radford, Broida, PR 128, 231 (1962).
Yw e y e = - 0.00909 • Vibrational constants from (7), slightly (13) Tsang, Bauer, Cowperthwaite, JCP ]£, 1768 (1962).
3
different constants in (21). (14) Berkowitz, JCP ]£, 2533 (1962).
ZSpin-splitting constant (o = + 0.00725, from the microwave (15) Fallon, Vanderslice, Cloney, JCP J.2., 1097 (1962).
spectrum (66)(71); see also (21)(64). µe.l(+CN-) = 1.45 D (16) Davis, Phillips, BAMS l (1963).
from Stark effect in the B- X, 0-0 band (36). (17) Radford, Broida, JCP 1§., 644, 303l(Erratum) (1963).
a'te = - 0.0000310 • Rotational constants from (64) who gives (18) Evenson, Dunn, Broida, PR All£, 1566 (1964).
7
re = - 0.0003107 which appears to be a misprint; see also (19) Radford, PR All£, 1571 (1964).
(7)(21). (20) Jeunehomme, JCP 42, 4086 (1965).
b'~ = + o.01 2 x lo- 6 (21)(64). (21) Paletta, Rigutti, NC J.2., 519 (1965).
I e
c In emission from interstellar sources; eqQ and other hyper- (2la) Halmann, Laulicht, ApJ(Suppl.) 12, 307 (1966).
fine structure constants. (22) Jha, Rao, PIASA .2.J., 316 (1966).
d'rn rare gas matrices at 4K.
e'The 6G and Bv curves are strongly non-linear.
CN (continued)1
(2J) Wyller, ApJ 11J, 828 (1966).
(24) Purcell, JCP 11_, 1198 (1967): 48, 5735 (1968).
(25) Dibeler, Liston, JCP 11_, 4548 (1967).
(26) Gippius, Kudryavtsev, Pechenov, Sobolev,
HT(USSR) 2, 27 (1967).
(27) Ortenberg, Antropov, SPU 2, 717 (1967).
(28) Weinberg, Fishburne, Rao, JMS 22, 406 (1967).
(29) Evenson, APL 12, 253 (1968).
(JO) Gayden, DISSEN (1968).
(31) LeBlanc, JCP 48, 1841 (1968).
( J2) Le Blanc, JCP 48, 1980 (1968).
(33) Dibeler, Liston, JCP 48, 4765 (1968).
(34) Setser, Stedman, JCP !±2, 467 (1968).
(35) Davis, Okabe, JCP !±2, 5526 (1968).
(36) Thomson, Dalby, CJP 46, 2815 (1968).
(37) Berkowitz, Chupka, Walter, JCP j.Q, 1497 (1969).
(38) Evenson, PR 178, 1 (1969).
(39) Levitt, Parsons, TFS £i, 1199 (1969).
(40) Pratt, Broida, JCP j.Q, 2181 (1969).
(41) Easley, Weltner, JCP j_g_, 197 (1970).
(42) Liszt, Hesser, ApJ 1.22., 1101 (1970).
(43) Lutz, CJP 48, 1192 (1970).
(43a) Swensson, Benedict, Delbouille, Roland,
MSRSL* No. 5 ( 1970).
' /
(44) Brocklehurst, Hebert, Innanen, Seel, Nicholls,
IAMS§ (1971); IAMS 2 (1972).
(45) Fay, Marenin, van Citters, JQSRT 11, 1203 (1971).
(46) Heil, Schaefer, ApJ 12...:2, 425 (1971).
(46a) JANAF ( 1971).
(47) Lutz, ApJ 164, 213 (1971).
(48) Schaefer, Heil, JCP ~' 2573 (1971).
(49) Levy, JCP 2§., 5493 (1972).
(50) Green, JCP 21, 4694 (1972).
(51) Cook, Levy, JCP 21, 5059 (1972).
(52) Meakin, Harris, JMS 44, 219 (1972).
(53) Rao, Lakshman, JQSRT 12, 1063 (1972).
(54) Schoonveld, JQSRT 12, 1139 (1972)1 JCP 2.§., 403 (1973).
(55) Arnold, Nicholls, JQSRT 12, 1435 (1972).
(56) Arnold, Nicholls, JQSRT 11, 115 (1973).
( .57) Luk, Bersohn, JCP ...2§., 2153 (1973).
(58) Coxon, Setser, Duewer, JCP ...2§., 2244 (1973).
(59) Cook, Levy, JCP ...2§., 3547 (1973).
(60) Cook, Levy, JCP 2.2,, 2387 (1973).
(61) Phillips, Leung, ApJ 180, 607 (1973).
(62) Phillips, ApJ 180, 617 (1973).
(63) Das, Janis, Wahl, JCP 61, 1274 (1974).
(64) Engleman, JMS !±2., 106 (1974).
(65) Jackson, JCP 61, 4177 (1974).
(66) Penzias, Wilson, Jefferts, PRL l£, 701 (1974).
(67) Coxon, Ramsay, Setser, CJP 2.J., 1587 (1975).
(68) Jain, JQSRT l.,2, 571 (197.5).
(69) Engleman, Rouse, JQSRT l.,2, 831 (1975).
(69a) Moffat, JMSt _gj,, 303 (1975).
(70) Treffers, ApJ 12.§., 883 (1975).
(71) Turner, Gammon, ApJ 1.2.§., 71 (1975).
(72) Hosinsky, Lindgren, AA(Suppl.) _gj,, 1 (1976).
(73) Adrian, Bowers, CPL 41, 517 (1976).
157
 158
State Te w w x Observed Transitions References
e e e
Design. I v 00

12c1LrN+ D 00 = 4 •85 e ya SEP 1976

ln b c R 37544.49 z
d a+ (46253) [890.76] z [1.6018] [19.5]C [1.2762] dd-+ b, (l)* (4)*
f lE a+45533.6 2670.5 z 46.9 1. 903e 0.032 [4.7] 1.171 f-+- b, v 37703.14 z (4)*
f~a,
f 45844.65 z (l)*
c ll: a+ (31771) (1265)g (11) (l.403)g (0.002) [13] (1.364) c...,. a, R 31381.60g z (l)*
b ln a+ 8313.6 1688.35 z 15.12 1. 6767 o.0191h [6.84] 1. 2473
a ll: a 2033.05 z 16.14 1.8964 0.0188 [7.0] 1.1729

0 a I.P. = 3.82 evb SEP 1976 A

Do = l0.3 1 eV

12(16Q µ = 6.85620871 0
Do = 11. 09 2 eV
a I.P. = 14.0139 evb OCT 1976 A
Absorption in the 100 - 20 R region. K absorption of C and o.c ( 93)
Absorption cross sections from 650 - 180 R. (115)(149)
(157)
Several weak and fragmentary progressions in absorption in the region 620 - 530 R (161000 -
186000cm-1 ), probably corresponding to excitation of two electrons and tentatively assigned
(lJO)
as first members of Rydberg series converging to higher electronic states of CO+ derived
from the photoelectron spectrum [revised assignments (125)].d
Rydberg seriese converging to B 2E+(v=O) of CO+ (also series or fragments of series with v'=l, 2)f1
( nd6' ,'lr) Ogawa and Ogawa's
(joining on to R)series IV} v = l58 664 - R/ ( n- 0.19 )2 In= J, 4 , ••• ,10. (101)*
Tanaka's diffuse series 2 (17)* (101)*

l
(joining on to D2 , n ) } v = 158664 - R/(n- 0.55) ; n = 4,5, ••• ,9.
3
( npo ,11) Ogawa and Ogawa's series V } v = 158664 - R/(n- 0.61)
2 ; n = 5,6,7. (101)*
(joining on to U)
Tanaka's
· · · sharp
( Joining
series
on t o S1 , S2 )
} v = 15 8 66 4 - R/ ( n - 0. 6 50 - 0. 084/n - 0 .13I n 2)2 ; n = 3, 4 , ••• , 13. (17)* (101)*

( nso) Ogawa and Ogawa's series III} v = 158664 - R/(n- 0.902- 0.232/n) 2 ; n = 4,5, ••• ,18. (101)*
(joining on to Tg)
aFrom ng(CN) and the ionization potentials of CN and C. cos aFrom the predissociation in the Bl~+ state (seenp.16J).
b6G(3/2) = 548.54, ~G(5/2) = 542.18, ~G(7/2) = 550.)6. The uncertainty of ±0.017 eV corresponds to the uncer-
Vibrational numbering uncertain. tainty as to which combination of Jp component states
c
B1
,,
l.'"1')19, D1
,, -6
'"1'7.JxlO ; arises at the dissociation limit.
B2 l.J023, n 2 17.9x 10 ; -6 bFrom Rydberg series (101). For the second and third I.P.
BJ 1.259 8 , DJ ), 10 -6 ;
19.'"l'X (l~ and 4~ orbitals) see the higher Rydberg limits in the
B4 1. 219 6 , D4 9 x 10 -6 • Table. The fourth, fifth, and sixth I.P. (Jo, 26, 16)
Local perturbations in nearly all vibrational levels. have been determined from X-ray photoelectron spectros-
Vibrational numbering uncertain. copy to be J8.9, 296.24 (K limit of C), and 542.57 eV
d'Z:" = 24 ns ( J ) • (K limit of O), respectively (62)(78)(162). See also f.
ePerturbations; seep. 251 of (2a). cPreceding the two K limits (see b) are strong Rydberg
f0-0 sequence consisting of four headless bands. series of absorption bands. The longest-wavelength ab-
gVibrational numbering uncertain. Homogeneous perturba- sorptions correspond to excitation to the 2'1r orbital
tions by an unidentified state. yielding a weak Jn+- x1 r:+ and a strong 1 n+- x1 E+ peak at
h
oe = - 0.0005. 283 and 285 eV for the transitions from lsc and at 529
(1) Douglas, Routly, ApJ .±12, JOJ (1954). and 5J2 eV for the transitions from ls 0 (93). The transi-
(2) See ref. (8) of CN. tions to the 1 n states have also been observed in elec-
(2a) Mulliken, JCP JJ., 247 (1960). tron impact experiments at 287.7 and 5J4.4 eV (79).
(J) Smith, JCP j!, )410 (1969). dDissociation produced by absorption in these bands and
(4) Lutz, ApJ 12J, 131 (1971). subsequent atomic fluorescence (153); predissociation
(5) See ref. (69a) of CN. into c+ + o- (151).
eAbsorption and photoionization coefficients from 1000 to
aFrom D0°(cN) and the electron affinities of CN and 600 R (33).
C (1.268 eV). !Calculated Franck-Condon factors for ionization
bPhotoionization of HCN (1). Earlier measurements are re- X 2 r:+ ~ X 1 r:+, A 2n f- X 1 E+, and B 2 E+~ X 1 E+, see (51)
viewed in this paper. Theory (2) predicts 3.69 eV. and (53). Observed Franck-Condon factors from photoelec-
(1) See ref. (J7) of CN. tron spectrum (44)(B2)(132); absolute ionization cross-
(2) Griffing, Simons, JCP 64, 3610 (1976). sections (113)(161).
gThe progression P of (17) [called T in MOLSPEC 1 and
5
(40)] must be reclassified as representing the members
n=6, 7, and 9 of series III; see the spectrograms of (17)
and (101).

159
 160
State w we x e Observed Transitions References
e
Design. J v 00

12c16
0 (continued)
(18.5) a (17)* (101) *
DJ (15J271) (1705) DJ+- X, 15JOJ7
u (15Jl99) [1676] u~ X, 152955 (101)*
a 149070 (17)* (101)*
D2 (149294) (17JO) (JO) n
2 ~ X,
s2 (148929) (1750) (JO) S +- X,
2 148715 (17)* (101)*
(1658) (11) e T'- X, 146810 (101)*
T (147065)
(28) e R~X, 144718 (101)*
R (1449J9) (17J5)
(1771) (29) e s 1 ~ X, (101)*
sl (1J80J8) 1J78J5
Rydberg seriesb converging to A 2 n(v=O) of co+ [also series with v'=l ••• 8 (Ogawa a. Ogawa) and v'=l,2,J (Tanaka)]c1
Ogawa and Ogawa's series d
( nsO') (joining on to W [n=J,
see (1J5)] and o 1 , o 2 )
}
v = 1JJ484(A 2nl..) - R/(n-1.077+ ••• ) 2 r n = 4,5, ••• ,12.
2
(101)*

Tanaka's tX series 2 2
( npo, ir) {joining on to P) }
v = 1JJJ80(A Ila) - R/(n- 0.67) ; n = 4,5, ••• ,8.
!
(17)* (101)
Q 12904J 1558 10.6 Q"" X, b R 1287J8 (17)
e
02(1Il) 126729 1560 lJ.J 02~ x, R 126424 (17)* (101)*
p 12J656 [1521] P~X, R 12JJJ5 (17)* (101)*
e o1 ~x, (4) (101)*
Ol(lll) 1211J7 1570 lJ.4 R 1208J7
(1600) e N-+-X,b (119600) (4)
N (119882)
Rydberg seriesb converging to X 2 ~+(v=O) of co+ [also series with v'=l]c1
Ogawa and Ogawa's seriesd } (101)*
np~ (joining on to E, L) v~ = 11J029; formula not given, merging into np~ above n=8.
Ogawa and Ogawa's seriesd } 2 2 (101)*
np6 (joining on to c, K) v = 11J029 - R/(n-0.615-0.26J/n-0.165/n) ; n = J,4, ••• ,J2.
Lindholm's series }
ns6" {joining on to B, J, I') v~ = 11J029; formula not given, n = J,4, ••• ,10. (52)
I' (5so) I'<(-X, l06383f (Jl)* (52)
z l~+ [(1.9)] (v' unknown) z~x, b R l05724g (Z) (140)
Hh(lll) (105811) (1097) (47) H+- X, bi R 105266 (2)
Hopfield-Birge b.
 State Te w
e w x
e e Be ae De re Observed Transitions References
(lo- 6 cm- 1 ) {i) Design. l voo

12c16
0 (continued)
H' ln [1.415] [1. 318] H'~X, R 104119.6 z (135)
L ln 4p1't' 103251 [2181] (15) [1. 9812] [14] [i.114 0 ] L'- X, v 103271. 5 z (101)* (135)
L' ( 1 n) L'+-X, R 103215 HQ (135)
K lE+ 4p6 [1. 9189] [66] [i.132 0 ] K+- X, R 103054. 3 z (101)* (135)
w ln j [1.558J] [65] [1. 2560] W<f:-+ X,
R 102807.1 z (135)* (140)
W' ln [l. 536 [1. 265] W't-X, R 102310. 6 z (135)*
1 E+ 4s6 (101409) z (15) [1. 9203]k [5.8]k [1.1315]k J+- X, R 101456 ( z) (135)*
J [2235.3]
G
1 n (3d'lf) [1.9625] [7.0] [1.1193] Gr X, v 101031. 0 z (135)*
G'
1n [ (1.59) J (v' unknown) [(1.24) J G' +- X,R 100651 (135)*
h ( 3E~ 4s6") h(r- X, R 100392 (Z) (135)
y lE+ [(1.83)] (v' unknown) [ (1.16) J Y~X, R 99963 ( z) (140)
F 1
E+(3d~) (99803) [2034.4] z f,
[1.86] m [8o]m [i.15 0 ] F+-X,
b
R 99739. 0 Z (135)*
Hopfield-Birge b.
. Q
v ln [1.70] (v' unknown) [1. 20] v~x, R 98919. 0 H (135)(140)

C01 8uiffuse looking bands.
bSee e p. 159.
cSee f p. 159.
dThese series and progressions from the high resolution work
of (101) agree only partially with the early work (17)(18)
at lower resolution.
ePreionization observed in electro-ionization of CO (114).
fThis strong absorption band is clearly present but not
assigned on the spectrogram of (101).
gAn absorption band at this wavenumber is visible but not
identified on the published spectrogram of (101).
hPreviously called G [see (40)]. The present G 1 n is from (135).
iThis is the strongest system of (2). It is clearly pre-
sent on the reproduction of (101), but these authors con-
sider the first band at 950 Ras due to v'=l of K(4p6)~X,
do not assign the second (strongest) band at 941 R and
consider the third band at 933 R as n=5, v'=O of the
Rydberg series which starts with C(3p6) and E(3p~).
jcf. Ogawa and Ogawa's Rydberg series converging to A 2 n~.
kv=O diffuse by predissociation, v=l sharp. The rotation~l
constants are for v=l (135).
f,(3a) gives we = 2112, wexe = 198, presumably from private
communication by Hopfield-Birge.
m -6-
B1 = 1. 8 37, D1 = 3 x 10 •.

161
 162
-
State Te w wexe Be ()(
De re Observed Transitions References
e e
(lo- 6cm- 1 ) (i) Design.
1 "oo
12c t6Q (continued)
A 1 n state at 98836 cm -1 reported by (15) was shown (140) to be due to N2 •
g JI:+ g'- X, R 98129.1 (Z) (135)
E ln 3pTr (92903) [2153.8] z (42) l.977la 0.0254 [6.5] 1.1152 E~A, v 28185.18 b z (86)* (154)
E+- X, c V 92930.03 z (J7)* (135)
Hopfield-Birge b.
c Jn Jp'lr [ 93158. 5] [1. 935]d [-lJl]e [l.127] c-+ a, v 43603.7 (57)*
"JA" bands
c.,_ X, v 92076.9 z (64)*
f
c lI:+ Jpo 91916.5 2175.92 z 14.76 l.9533g 0.0196 6.2 1.1219 Ch-+A 1 i V 27174.4 0bz (7)
Herzberg b.
ch~x,j v 91919.1 z (55)(66)
IHop£ield-Birge b.
5

j (JI:~ Jpl?l) 9097 5 [2166] z (15) [l.8785]k (0.020) [7.9] [1.1441] j ~ X, R 90988. 04 z ( 55)
1
The E 0 x:+ state at 90866 cm -l reported by ( 15 )' was shown (140) to be due to N2. £

k [90972] Single o-v'° progression. k-+ a, v 41417 H (J)

Kaplan b.
1 I:+ Jso ,., 15.2 m l.9612n 0.0261 B0 -tA,P V 22171.35bZ ( 7)
B 86945.2 2112.70 1.J
2 7.1 Lll97
Angstrom b. .
B 0 ~x, q v 86916.16 z (55)* (66)
Hopfield-Birge b.
b JI:+ 3so (83814) [2199.3] z 1. 986rs 0.042 l.ll3 bt-4a,u V 35358.5 z (5)(9)(11)
3rd positive gr.v
b -E- x, u v 83831.7 H (2)
Hopfield-Birge b.
(f 3l:+) This state, first suggested by (10) and listed by (40) at T0 = 83744, is in all probability
not a separate state but represents v = 31 and 35 of a' 3I:+.w
I

C01 aClear case of accidental predissociation for J=Jl (e level)
at 94872 cm-l above v=O, J=O of X l~+ (1J6).
bThe v 00 values for B-+A, C~A, E~A are not deperturbed and,
therefore, do not add up with the deperturbed v 00 for A- X
(see also m p.165) to the v 00 values listed for B-X, C-X,
and E- X.
cOscillator strength f 00 = o.094 (87).
dA-type doubling 9 ti:v = o. 011 x N(N+l). Triplet splitting un-
observably small as for most Rydberg states.
eH 0 = - l.9x 10-7. The rotational constants represent average
values for the two }\_-doubling components.
fOnly v=O and 1 observed in absorption, only v=O in emission.
we 9 wexe derived with the aid of isotope ( 12 ,lJco) data, see
(55).
gµei = 4.5 D, from Stark effect observations on the Herzberg
bands ( 155).
hLifetime T(v=O) = 1.5 ns (47)(120)~ electronic branching
ratios (120).
i(60) and (67) have studied the bands of the isotopic mole-
cules lJc 16 o and 12c 18 o.
joscillator strength f 00 = 0.16J (87).
kRotational lines are diffuse because of predissociation.
1 In the electron energy loss spectrum (144) find a peak at
90858 cm- 1 which, according to them, cannot be identified
with the j JE+ state.
mOnly two vibrational levels observed, ~G(!) = 2082.26. we'
wexe derived with the aid of isotope data (55).
nA partial breaking off of the rotational structure in the
Rngstrom bands occurs above J=J7 in v'=O and above J=l7
in v'=l leading to a dissociation limit at 89595 ! JO cm- 1
(21). RKR potential (40). µel= 1.6 0 D from Stark effect
measurements on the ~ngstrom bands (155).
0
Lifetime T(v=O) = 21.8 ns (100), good agreement with (47)
(7J)(l20). r(v=l) = 15.5 ns (100); (7J) give 2J.8 ns.
Electronic branching ratios (120).
PFranck-Condon factors (40). (75) have studied the rota-
tional structure in the Rngstrom bands of the isotopic
molecules 12 c18 o, lJc 16 o, 1 Jc 18 o and the perturbations in
these isotopes as well as in 12c 16 01 see also (21)(59).
qOscillator strength f 00 = o.015J (87). Discussion of the
r-dependence of the transition moment (100).
rThis state is strongly perturbed by the higher vibrational
levels of the a' JE+ state (near its dissociation limit).
(5) derived B0 = 1.89 from lines with N values between 7
and 15. (6) from deperturbed term values de.rived B 0 =
2.0581 (8) gave ot = O.OJJ. The listed values of Be and ae
are from a revised deperturbation by (16) who also gives
the deperturbed constants ~G(!) = 2188 and T0 = 8J816.
sonly two vibrational levels, v=O and 1, have been obser-
ved. Breaking off on account of predissociation in V=O
above N=55~ in v=l above N=42 (6)(9). The absence of v=2
is puzzling since it is expected to lie below the disso-
ciation limit (22).
tLifetimes T(v=O) = 5J.6 ns, ~(v=l) = 69.1 ns (74)(118).
uFranck-Condon factors (40).
vThe b ~ a bands with v' =l were previously called "5.B"
bands (1).
wThis interpretation was first suggested by (12). It is in
agreement with the data 0£ (109) on the a'-X system. The
occurrence of these particular vibrational levels of
a' JE+ in the emission spectrum is due to strong interac-
tion with b JE+. Indeed 9 the levels mentioned were obser-
ved as "extra" bands accompanying the b JE+ -? a Jn (third
positive) bands.
163
 164
State T w w x Be (Xe D re Observed Transitions References
e e e e e
(lo- 6cm- 1 ) (i) Design. J voo

12c 16
0 (continued)
D lt. 65928 1094.0 10.20 1.257 0.017 1.399 D~ X, R 65391a (43)* (96)
(109)
l;:- 1092.22 z b 1. 2705C O.Ol848d D2 ::: 9. 0 l.J911 Ie~ X, R 64546.26 z (39)* (96)
I 65084.40 10. 704
(109)*
h Aj~X, k.l R 64748.48m Z
A ln 65075.77 1518.24 z 19.40f l.6115g 0.02325 7.JJi 1. 2J53 (63)* (109)*
4th positive gr.
J;:- r R 15231.6
e 64230.24 1117.72 z l0.686n 1. 2836° 0.01753P 6.77q l.J84o e~a, (19)* (28)
Herman b.
e.(;- X, R 63704.85 z (23)* (96)
(109)*
d J t..
1
61120.ls 1171.94 z l0.635t l.Jl08u 0.01782V 6.59q 1. 3696 dw' a, r R 12148.7 (1J)(29)(76)
Triplet b.
d ~ X, R 60621.9 t z (71)(109)*
z
a I J;:+ 55825.49 1228.60 z l0.468x l.J446y 0.01892 6.4lq 1. 3523 a' a-+ a,13 R 6882.4 (1)(11)(14)

IAsundi b.
a•+- x/' R
Hopfield-Birge b.
55355.6 z (2J)* (96)
(109)*

C01 aExtrapolated, only v'=l, 6, 21 observed.
b+ o.055 4 (v+~)J- ••• : for higher order coefficients see
(109).
cRKR potential (109).
d+ 0.00029 1 (v+t) 2 - + ••• ; for higher order coefficients see
(109). Revised coefficients from deperturbed Bv values in
(98a).
eLifetime of this state (and/or D 1 t.) 97 t 15 µs ( 124) •
f + 0. 76 6 ( v+t) 3 - + ••• ; higher order coefficients in ( 109).
Because of numerous perturbations (see g) these constants
do not accurately represent the observed (v~ 23) vibra-
tional levels. Revised coefficients from deperturbed Tv
values [see (105)] in (98a).
gNumerous perturbations produced by e 3E-, d Jt., a' JE+,
D 1 t., I 1E-, discussed by many investigators and summarized
in (63). Deperturbed Tv and Bv values are given by (105),
see also (98a). RKR potential (109)i the potential function
has a maximum, the last observed level lies above the dis-
sociation limit.
h+ 0.00159(v+t) 2 ~ + ••• ; higher order coefficients in (109),
revised coefficients from deperturbed Bv values in (98a).
1. 6
Calculated value, foe = + O.lOx 10- ; see (105).
C01 jLifetimes for v=0, ••• ,6 are l0.7, 10.4, 9.4, 9.0, 9.7, uRKR potential (109).
2
v + 0.000113(v+t) • The constants refer to the 3~
9.8, 10.5 ns, respectively (47)(89)(99). Values that are 2 component
about 50% larger were given by (81). (109). From properly averaged term values of v=3, 4, 7, 9
koscillator strength fel = 0.195, f 00 = 0.020 (87). f values (29) gives Be = 1.3099, ~e = 0.0167 , in good agreement
7
from lifetime measurements (47) are approximately a factor with the first two of the expansion coefficients determined
of 2 smaller. See also (9l)[r-dependence of electronic by ( 98a).
transition moment, fel ~ 0.15] and (94)(121). Franck-Condon wLifetime strongly dependent on J and 11 because of pertur-
factors (38)(40)(160). bations by A 1 n (117).
!See (27)(116) for spectroscopic data on 1 3co and c 18 o. x+ o.0091(v+~)3 + o.00259(v+~) 4 - + ••• (109). Revised coef-
mThis is a nominal, rotationally deperturbed value. The low- ficients from deperturbed Tv values in (98a).
est observed levels (v=O, J=l) lie at 64747.90(-) and at Yspin-splitting constants Ao = - 1.23, 00 ~ - 0.007; depen-
64748.09(+) which would correspond to a J=O level at dence on v (98a)(1Jl). See also (143). Dipole moment µel
64744.8 cm- 1 • 1.06 D (-co+), from the radiofrequency spectrum of a3n;
n+ o.117 4 (v+-ft)3 - + ••• ; from (109), see also (98a). see (111)(147). RKR potential (109).
0
spin-splitting constant Ao = + 0.51; for its dependence on z + o.00034 (v+t) 2 - + ••• (109); revised coefficients from
5
v see (98a)(l31). RKR potential (109). deperturbed Bv values in (98a).
P+ 7. x lo- 6 (v+t) 2 + - ••• ; the coefficients are from (109), ~Lifetime 3.7 to 2.9 µs for v=5 to 8 (49).
1
but considerably different values for the higher order ~Franck-Condon factors (38)(40).
terms were obtained by (98a) from deperturbed rotational
constants.
qCalculated value, see (98a).
rlntensity distribution, relative electronic transition mo-
ments 1 e-+ a ( 156) , d-+ a ( 108). Franck-Condon factors 1 d ~a
(40). Rotational intensity distribution in the "triplet"
bands (36).
2
SA = - 16.00 - 0.113(V+i) - 0.0035 (v+i) ; from (98a).
5 4 7
t+v0.0785(v+t)3- o.00163 (v+t) • The constants refer to the
4
3~ 2 component (109); see also (98a).

165
 166
State w we x e Observed Transitions References
e
Design. v 00

12c'6o (continued)
o.01904a 6.J6e 1.20574 af~x,g R 4847J.22b (20)* (104)
Cameron b. (109)*
0 2169.81358 z 13.28831h l.93128087i o.01750441j 6.12147
k
l.128J23i. Rot.-vibr. sp. mn i
J-0 (45)(48)(129)
2-0° (1J9)
1-0p (26)(41)
Rotation sp. 1
Far IR sp.q (25)
Microwave sp. (24)(70)(134)
Mol. beam el. reson.r (141)
Mol. beam magn. reson.l (46)(54)

2 d - o.00004l(v+~) 2 ; see b
COa aAv = + 41.53 - 0.14(v+t) - 0.009(v+t) ;
AJ(v=O) = - 0.000206.
b - o. 04 (v+t) 3 + o. 002 (v+!) 4 1 all vibrational and rotational
5 5
constants for this state are from deperturbed levels (104)
(105).
0
very precise values for the A-type doubling in 3n 1 and Jn 2 ,
V=0-7, J=l-8, have been obtained (77)(83)(111)(147) from
the study of the radiofrequency spectrum in a molecular
beam electric resonance apparatus. While these doublings
are small and increase rapidly with J the .1\-doubling for
3n [from combination defects (5)(J4)] is fairly large at
0 i. v
low J (Nl.7 cm- 1 ) and decreases with J. Hyperfine structure
in 1 Jc 16o (84). Dipole moment (+co-) from molecular beam
electric resonance spectrum µei.(v=O) = 1.374 D (111); di-
pole moment function and radiative lifetimes for vibra-
tional transitions in a3rr (150)(152).
eCalculated value, fl e = + o.o4xlo- 6 (104)(105).
fLifetime from time of flight studies ~9.5 ms (112); from
afterglow decay 7. ms (88)(110); theoretical values (92).
5
gFranck-Condon factors (J8)(40).
h+ O.Ol05ll(v+~)3 + 5.74x lo-5(v+t)4 + 9.8 3 x lo-7(v+i)5 -
3.166 x lo-8(v+i)6; v6 37 (142).
iRKR potential functions (97)(10J)(l06).
j + 5.487 x lo-7(v+~)2 + 2.54x 10-8 (v+i)J (142).
k -1.15 3 x 10-9(v+~) + l.8o x lo-10(v+t)2;
5
H = [5.8J - o.173 8 (v+~)] x lo-12 ( 142).
From the effective Be value; the "true" Be = 1.93160 found
by (69) after introducing adiabatic and non-adiabatic cor-
rections (and using older data) leads to re = l.1282J R.
See also (102)(122).
mFor data on 1 .3c 16 o, 12 c 18 o, 1.3c 18 o see (1.37)(158).
Cos nlntensities in 1-0, 2-0, 3-0 rotation-vibration bands and
dipole moment function (42)(65)(90)(107)(127)(128)(146)
(159); for Av=l transitions with v=4-10 (123). Pressure
shift and pressure broadening (50)(58)(68)(129)(145)(148).
0
bv=2 sequence up to 33-31 in chemiluminescence (61) and
flames ( 139).
Pbv=l sequence up to 37-36 in the CO laser (72)(80)(138)1
1-0 band in resonance fluorescence (30)(32).
COa (1) Asundi 9 PRS A 124, 277 (1929)c
(2) Hopfield, Birge, PR~' 922 (1929)0
(3) Kaplan, PR ]2, 1298 (1930).
(Ja)Jevons 9 "Band Spectra of Diatomic Molecules" (Physical
Society~ London 1932).
(4) Henning 9 AP(Leipzig) 1.:J., 599 (1932).
(5) Dieke, Mauchly, PR 43, 12 (193J).
(6) GerB, ZP .2..2, 9 747 (1935).
(7) Schmid, Ger6, ZP .2.J., 656 (1935).
(8) Schmid, Ger6, ZP 22, 9 198 (1935).
(9) Ger6, ZP 101, 311 (1936).
(10) Schmid, GerB, Nature 140, 508 (1937).
(11) Beer, ZP 1.Q1, 73 (1937).
(12) GerB, ZP 1.Q.2., 216 (1938).
(lJ) Ger6, Szabo, AP(Leipzig) J.4i, 597 (1939).
(14) Ger6, L6rinczi 9 ZP .!1.J., 449 (19J9)o
(15) Tschulanowsky, JPUSSR 1, 341 (1939)0
(16) Stepanov, JPUSSR ~ 9 197 (1940)$
(17) Tanaka, Sci. Pap. IPCR (Tokyo) J.2, 447 (1942)0
(18) Takamine, Tanaka, Iwata~ Sci. Pap$ IPCR (Tokyo) 40 9
371 ( 1943) ..
(19) Herman 9 Herman 9 JPR 2, 160 (1948).
(20) Rao, ApJ 110, J04 (1949)~
qLine widths and intensities (56)(95). High pressure gas and
liquid far IR absorption spectra in Ar (119); the quadru-
pole moment derived from this and other experimental and
theoretical work [see ( 126) J is - 2. Ox lo- 26 esu cm 2 •
rµet(v=O,J=O) = 0.10980 D (-CO+); with the dipole moment
function of (65) (seen) this gives 0.1222 D at r 8 (141).
s
gJ 0.2689 0 µN for 12C16 0 (46);
1 16
gJ = - 0.2569 1 µN for 3c o (54).
(21) Douglas, M~ller 9 CJP JJ., 125 (1955).
(22) Barrow 9 Gratzer, Malherbe, PPS A .£2., 574 (1956).
(23) Herzberg, Hugo, CJP JJ.~ 757 (1955).
(24) Rosenblum, Nethercot, Townes, PR 1.Q.2., 400 (1958).
(25) Loewenstein, JOSA ..2Q 9 116J (1960).
(26) Rank 9 Skorinko, Eastman? Rao, Wiggins, JMS 1, 518
(1960).
(27) Shvangiradze, Oganezov, Chikhladze, OS(Engl. Transl.)
.§., 239 (1960).
(28) Barrow, Nature ~ 9 480 (1961).
(29) Carroll, JCP J..2., 2861 (1962).
(JO) Millikan, JCP ].§., 2855 (1963).,
(Jl) Huffman, Larrabee, Tanaka, JCP 40, 2261 (1964)
(32) Mccaa, Williams~ JOSA ~' 326 (1964).
(33) Cook, Metzgerj Ogawa 9 CJP iJ., 1706 (1965).
(34) Freund, Klemperer? JCP .!±.J.~ 2422 (1965).
(35) Kovacs 9 APH 18~ 107 (1965)0
(36) Kov~cs~ T6r8s~ APH 18 9 101 (1965)0
(37) Tilford 9 Vanderslice~ Wilkinson 9 CJP 1.J.? 450 (1965).
(JS) Halmann, Laulicht, ApJ(Suppl.) 12, 307 (1966).
(39) Herzberg, Simmons 9 Bass, Tilford, CJP 44 9 3039 (1966)0
(4-0) Krupenie 9 "The Band Spe-ctrum of Carbon Monoxide",
NSRDS-NBS 5 (1966).
(continued p. 168)
167
 168
CO (continued)a
(41) Rao, Humphreys, Rank, "Wavelength Standards in the In- (69) Bunker, JMS ..15., 306 (1970); J.2., 197 (1971) (erratum).
frared". Academic Press (1966). (70) Helminger, De Lucia, Gordy, PRL £2,, 1397 (1970).
(42) Young, Eachus, JCP 44, 4195 (1966). (71) Herzberg, Hugo, Tilford, Simmons, CJP 48, J004 (1970).
(43) Simmons, Tilford, JCP 1..5,, 2965 (1966). (72) Mantz, Nichols, Alpert, Rao, JMS ..15., J25 (1970).
(44) Turner, May, JCP 1..5,, 471 (1966). (73) Rogers, Anderson, JOSA 60, 278 (1970).
(45) Bouanich, Levy, Haeusler, CR B 264, 944 (1967). (74) Rogers, Anderson, JQSRT 10, 515 (1970).
(46) Ozier, Yi, Khoshla, Ramsey, JCP 46, 1530 (1967). (75) Rytel, et al., APP A J.2., 559, 585; ].§,, 299 (1970);
(47) Hesser, JCP 48, 2518 (1968). J2, 29 (1971); 41, 377, 757 (1972).
(48) Bouanich, L~vy, Haeusler, JP(Paris) .f.2., 641 (1968). (76) Slanger, Black, CPL±, 558 (1970).
(49) Hartfuss, Schmillen, ZN~ a, 722 (1968). (77) Stern, Gammon, Lesk, Freund, Klemperer, JCP ~' 3467
(50) Hunt, Toth, Plyler, JCP _12, 3909 (1968). ( 1970).
(51) Krupenie, Benesch, JRNBS A .zg, 495 (1968). (78) Thomas, JCP ..2.J., 1744 (1970).
(52) Lindholm, .AF 40, 103 (1969). (79) Van der Wiel, El-Sherbini, Brion, CPL z, 161 (1970).
(53) Nicholls, JP B 1, 1192 (1968). (80) Yardley, JMS ..15., 314 (1970).
(54) Ozier, Crapo, Ramsey, JCP _12, 2314 (1968). (81) Chervenak, Anderson, JOSA 61, 952 (1971).
(55) Tilford, Vanderslice, JMS 26, 419 (1968). (82) Comes, Speier, ZN 26 a, 1998 (1971).
(56) Dowling, JQSRT 2, 1613 (1969). (83) Gammon, Stern, Klemperer, JCP .2f:, 2151 (1971).
(57) Ginter, Tilford, JMS J!, 292 (1969). (84) Gammon, Stern, Lesk, Wicke, Klemperer, JCP .2f:, 2136
(58) Hoover, Williams, JOSA .22,, 28 (1969). (1971).
(59) Janjic, Pesic, Jankovic, GHDB J!!:, 301 (1969). (85) Hasson, Nicholls, JP B ±, 681 (1971).
(60) Kepa, APP A JQ, 1109 (1969). (86) Kepa, Rytel, APP A J2, 629 (1971).
(61) Schwartz, Thrush, JMS ]£, 343 (1969). (87) Lassettre, Skerbele, JCP 2±., 1597 (1971).
(62) Siegbahn, Nordling, Johannson, Hedman, Heden, Hamrin, (88) Lawrence, CPL 2, 575 (1971).
Gelius, Bergmark, Werme, Manne, Baer, "ESCA Applied to (89) Imhof, Read, CPL ll, 326 (1971).
Free Molecules". North-Holland, Amsterdam (1969). (90) Moskalenko, Mirumyants, SPJ (1973), 721.
(63) Simmons, Bass, Tilford, ApJ 1...22, 345 (1969). (91) Mumma, Stone, Zipf, JCP 2±., 2627 (1971).
(64) Tilford, JCP ..2.Q, 3126 (1969). (92) James, JCP .22, 4118 (1971).
(65) Toth, Hunt, Plyler, JMS ]£, 85 (1969). (93) Nakamura, Morioka, Hayaishi, Ishiguro, Sasanuma, )rd
(66) Aarts, de Heer, JCP ~' 5354 (1970). International Conference on Vacuum Ultraviolet Radia-
(67) Asundi, Dhumwad, Patwardhan, JMS ]1, 528 (1970). tion Physics (Tokyo, August JO - September 2, 1971),
(68) Bouanich, Larvor, Haeusler, CR B E.2.2., 1238; .£7.Q, 396, paper lpAl-6.
1220 ( 1970) •
CO (continued)1
(94) Pilling, Bass, Braun, JQSRT 11, 1593 (1971).
(95) Sanderson, Scott, White, JMS .1§., 252 (1971).
(96) Simmons, Tilford, JRNBS A 15., 455 (1971).
(97) Mantz, Watson, Rao, Albritton, Schmeltekopf, Zare, JMS
.J..2, 180 (1971).
(98) James, JMS 40, 545 (1971).
(98a)R. W. Field, Thesis (Harvard University, 1971).
(99) Burnham, Isler, Wells, PR A§, 1327 (1972).
(100) Imhof, Read, Beckett, JP B j, 896 (1972).
(101) Ogawa, Ogawa, JMS 41, 393 (1972).
(102) Bunker, JMS 42, 478 (1972).
(103) Dickinson, JMS 44, 183 (1972).
(104) Field, Tilford, Howard, Simmons, JMS 44, 347 (1972).
(105) Field, Wicke, Simmons, Tilford, JMS 44, J8J (1972).
(106) Fleming, Rao, JMS 44, 189 (1972).
(107) Roux, Effantin, d'Incan, JQSRT 12, 97 (1972).
(108) Slanger, Black, JP B j, 1988 (1972).
(109) Tilford, Simmons, JPCRD 1, 147 (1972).
(110) Wauchop, Broida, JCP 2§, J30 (1972).
(111) Wicke, Field, Klemperer, JCP 2§, 5758 (1972).
(112) Johnson, JCP ..21, 576 (1972).
(llJ) Judge, Lee, JCP .2J.., 455 (1972).
(114) Carbonneau, Marmet, CJP .21, 2202 (197J).
(115) Lee, Carlson, Judge, Ogawa, JQSRT 1J., 102J (197J).
(116) Rytel, Siwiec, APP A 44, 67 (197J).
(117) Slanger, Black, JCP 2§., 194 (1973).
(118) Smith, Imhof, Read, JP B §, lJJJ (1973).
(119) Buontempo, Cunsolo, Jacucci, JCP ...2.2., J750 (197J).
(120) Dotchin, Chupp, Pegg, JCP 22,, J960 (1973).
(121) Vargin, Pasynkova, Trekhov, JAS 1J., 1J40 (197J).
(122) Watson, JMS .!±j, 991 48, 479 (197J).
(12J) Weisbach, Chackerian, JCP 22., 4272 (197J).
(124) Wells, Borst, Zipf, PR A~' 2463 (197J).
(125) ~sbrink, Fridh, Lindholm, Codling, PS 10, 18J (1974).
(126) Billingsley, Krauss, JCP 60, 2767 (1974).
(127) Billingsley, Krauss, JCP 60, 41JO (1974).
(128) Bouanich, Brodbeck, JQSRT 14, 1199 (1974) •
(129) Bouanich, Brodbeck, RPA 2, 475 (1974).
(lJO) Codling, Potts, JP B 1, 16J, Jl4 (1974).
(lJl) Field, Lefebvre-Brion, APH J...2, 51 (1974).
(1J2) Gardner, Samson, JCP 60, 3711 (1974).
(lJJ) Klump, Lassettre, JCP 60, 48JO (1974).
(134) Lovas, Krupenie, JPCRD J, 245 (1974).
(135) Ogawa, Ogawa, JMS !!2, 454 (1974).
(136) Simmons, Tilford, JMS 12_, 167 (1974).
(137) Johns, McKellar, Weitz, JMS .21; 539 ,(1974).
(1J8) Kildal, Eng, Ross, JMS .2}, 479 (1974).
(139) Mantz, Maillard, JMS 2J, 466 (1974).
(140) Tilford, Simmons, JMS .2], 4J6 (1974).
(141) Muenter, JMS jj, 490 (1975).
(142) Mantz, Maillard, Roh, Rao, JMS jl, 155 (1975).
(14J) Sink, Lefebvre-Brion, Hall, JCP 62, 1802 (1975).
(144) Swanson, Celotta, Kuyatt, Cooper, JCP 62, 4880 (1975).
(145) Varanasi, JQSRT lj, 191 (1975).
(146) Varanasi, Sarangi, JQSRT lj, 473 (1975).
(147) Wicke, Klemperer, Field, JCP 62, J544 (1975).
(148) Moskalenko, OS(Engl. Transl.)~, J82 (1975).
(149) Watson, Stewart, Gardner, Lynch, PSS..£}, J84 (1975).
(150) Wicke, Klemperer, MP J.Q, 1021 (1975).
(151) Locht, DUrer, CPL J.!±, 508 (1975).
(152) Wicke, Klemperer, JCP §2, 3756 (1975).
(153) Lee, Carlson, Judge, Ogawa, JCP §J, 3987 (1975).
(154) Kepa, Knot-Wisniewska, Rytel, APP A 48, 819 (1975).
(continued p. 171)
169
 170
State Te w w x Be ae De re Observed Transitions References
e e e
(lo- 6cm- 1 ) (i) Design. I "oo

11c1f> 0 + 0
D0 = 8.338 eVa I.P. = 26. 8 evb OCT 1976 A
K' 21:+ Upper state of oxygen K radiation in CO (see b
[528.69 ev] p. 159). 528.56 eV (40)
K 21:+ [282.34 eV] Upper state of carbon K radiation in CO (see b p.159).c 282.21 eV ( 34) ( 40)
H 21:+ ("-'25 eV) This highly excited state (2la)(22b) is probably unstable and dissociating into C+ + O()s)
as suggested by the photoelectron and photoion spectra of (36).
F ( 21:) (105690) (1780)d (JO) (105470)d (32)
E ( 22:) (87140) (1420)d 8675od (32)
G (21:) (7Jl90) (1400)d 72790d (32)
2
D ( Il) (65230) (1350)d (64800)d (32)
f f
C ( 2t.r) 63012e 1144f (Z) 33°3 1.357 0.024 1.346 C-+A, R 42168.5f H (21)
41950.9 H
B 21:+ 45876.7 1734 .. 18 z 27.927g 1.7999/i 0.03025 7.75j 1.16877 Bk-+A, lm v 25226.0 (1) (4) (22)*
I Baldet-Johnson b.
Bk~ X, lmn R 45633.5 Z (2)* (16)
I1st negative b.
2

A 2n 20733.3° 1562.0 6P z 13.53 2q 1.58940 i 0.01942 6.6 1. 2437 7 Ar -+X, lm R 20407.6S z (3)* (22)*
i
Comet-tail b.
21:+ z t
x 0 2214.24 15.164 1. 9772 ui
0 0.01896 6.35 1.11514 Microwave sp. ( 35)

OCT 1976
(A 3n) (40000)v Only one vibrational level is predicted to exist in the local minimum. (24)
x (3n) ow (2400)x l (24)
co+, co++,
aDo0 (co) + I.P. (C) - I.P. (CO).
bFrom the electron impact appearance potential of CO++ in
CO (8)(22a), reduced by 0.9 eV following (24); see also w.
cseveral higher lying states corresponding to excitation of
a second electron have been observed by (34) ("ls shake-up
spectrum").
dFairly long progressions in the photoelectron spectrum;
vibrational numbering uncertain. Predissociation into C+ +
0 ( 38)
eA ~ + 100.
fvibrational numbering uncertain; rotational structure not
fully resolved.
gweye = + 0.328 •
3
hSpin-splitting constant IJ~ + 0.018.
iRKR potential functions (10)(14)(15).
'"e = + o.2 2 xl0 -6 •
jn.
kLifetime T(v=O) = 55 ± 4 ns (17)(20)(31)(37), slight in-
crease with v (17)(31). Electronic branching ratio A(B-+A)
= 0.08/<r(B)' A(B-?X) = 0.92/'C'(B) (29) f foo<B-A) ~ 0.00071'
f 00 (B- x) ~ 0.0065.
!Fluorescence by photoexcitation from the ground state X
lk+ of CO (29)(33).
mFranck-Condon factors (9)(11)(14)(19)(23). Independence of
electronic transition moment on r (29)(30);. see, however,
(6)(13)(28).
CO (continued)1
(155) Fisher, Dalby, CJP ..21, 258 (1976).
(156) Slanger, Black, JCP 64, 219 (1976).
(157) Wight, Van der Wiel, Brion, JP B 2, 675 (1976)
(158) Chen, Rao, McDowell, JMS 61, 71 (1976)
nisotopic bands (7)(34a).
0
A=-117.5"
Pvibrational numbering confirmed by isotope studies (22).
qw e y e = + 0.013 1 •
rLifetimes 'l(v=l) = 3.4 µs, "G(v=3) = 2.7 8 µs, 'L(v=4) = 2.6 µs,
9 3
'Z:"(v=6) = 2.41 µs (27). (26) give values that are 10 to 50 %
higher; earlier values (5)(18) are 20 % lower.
sRefers to zero point of Hill - Van Vleck formula.
t
weye = - 0.0007"
uFrom the microwave spectrum B0 = 1.967465, spin-splitting
constant ro = + 0.009105.
VRough estimate based on appearance potentials of co++ from
CO (8)(22a), and taking into account tentative assignments
of the carbon and oxygen Auger spectra of CO (2la)(24).
WThe potential minimum of the ground state of CO++ lies
about 4.7 eV above the dissociation limit C+( 2P1 ) + 0+( 4 s)
2
(which lies 35.97 0 eV above the ground state of CO) and is
separated by a maximum of Nl.5 eV from. this limit (22a)(24).
xDerived by (24) from the carbon Auger spectrum of CO (2la).
At least six vibrational levels are ·observed.
References on page 173.
(159) Tipping, JMS 61, 272 (1976).
(160) Shimauchi, SL £5., 1 (1976).
(161) Samson, Gardner, JESRP ~' 35 (1976).
(162) Smith, Thomas, JESRP §, 45 (1976).
171
 172
State T
e w
e wexe Be «e De re Observed Transitions References
{i) Design. l voo
12c16
0- 0
Do = 8.1 3 eV a I.P. = - 1.5 eV OCT 1976 A
F 1730 40 b 13.95 ev
0
(4)(6)
E
d 12.2 ev 0 (3)(4)(6)
D
d 11.3 ev 0 (3)(4)(6)
c{2n 10.7 ev 0
10.42 ev 0
(2) (3) (4) (6)
(2){4)(6)
B 2E+ [1940] e 10.04 ev 0 (2)(3)(4)(6)
Resonances coincident with the vibrational levels v=O, 1, 2 of a.3n of co,
A 6.o ev 0 (7)
ascribed to a state of co- with the same potential function as a3n.
x 2n eV 0
Very broad resonance, vibrational structure barely detec-cable.
l 1.5 (1)

co-, aFrom ngcco) and the electron affinities of co (-1.5 eV)
and 0 (+l.465 eV).
bProgression of six resonances, observed in electron
transmission (4) and electroionization (5) experiments;
vibrational numbering uncertain. Its "grandparent" is
assumed to be the A 2n state of co+, with the additional
two electrons in a Rydberg orbital.
0
Energies in eV above X 1E+(v=O) of co, all obtained as
resonances in electron scattering experiments.
dResonances in the excitation functions of CO, B 1 E+ and
b JE+ (J), and in the electron transmission current (4).
eSharp resonance (width ~o.045 eV); v'=O and 1. The parent
states are b JE+ and B 1 E+ of co. Decay into co(x 1 E, a3n,
a'JE, A1 n) + e-, C + o-, and c- + O; see also (8).
(1) Boness, Hasted, Larkin, PRS A J.Q2, 493 (1968).
(2) Comer, Read, JP B ±, 1678 (1971).
(3) Mazeau, Gresteau, Joyez, Reinhardt, Hall, JP B j, 1890
(1972).
(4) Sanche, Schulz, PR A 2, 69 (1972).
(5) See ref. (114) of CO.
(6) Schulz, RMP ±.2, 42J (197J).
(7) Wong, Schulz, PRL Jl, 1J4 (1974).
(8) See ref. (144) of co.
co+, co++=
(1) Bulthuis, Physica 1, 873 (1934).
(2) Rao, ApJ 111, 50 (1950).
(3) Rao, ApJ 111, 306 (1950).
(4) Rao, Sarma, MSRSL (4) lJ., 141 (1953).
(5) Bennett, Dalby, JCP lf., 1111 (1960).
(6) Robinson, Nicholls, PPS 1.2, 817 (1960).
(7) See ref. (27) of co.
( 8) Dorman, Morrison, JCP J..5., 575 (1961).
(9) Nicholls, CJP 40, 1772 (1962).
(10) Krupenie, Weissman, JCP !±J, 1529 (1965).
( 11) See ref. (38) of co.
(12) Hesser, Dressler, JCP !:J:.2, 3149 (1966).
(13) Joshi, Sastri, Parthasarathi, JQSRT ~' 215 (1966).
(14) See ref. (40) of CO.
(15) Singh, Rai, JMS 12., 424 (1966).
(16) Herzberg, CPAS ~ (15), 1 (1968).
(17) See ref. (47) of CO.
(18) Fink, Welge, ZN £2 a; 358 (1968).
(19) See ref. (51) of CO.
(20) Fowler, Skwerski, Anderson, Copeland, Holzberlein,
JCP 2.Q, 4133 (1969).
(21) Marchand, d'Incan, Janin, SA A £2, 605 (1969).
(2la)See ref. (62) of co.
(22) See ref. (67) of co.
(22a)Newton, Sciamanna, JCP j], 132 (1970).
(22b)See ref. (78) of CO.
(23) See ref. (82) of co.
(24) Hurley, JCP _2!, J656 (1971).
(25) See ref. (93) of CO.
(26) Anderson, Sutherland, Frey, JOSA 62, 1127 (1972).
(27) Holland, Maier, JCP 2£, 5229 (1972).
(28) Jain, JP B 2, 199 (1972).
(29) See ref. (113) of co.
(JO) Maier, Holland, JP B 2, Lll8 (1972).
(31) See ref. (120) of CO.
(32) See ref. (125) of CO.
(33) Lee, Carlson, Judge, Ogawa, JGR J..2, 5286 (1974).
(34) Gelius, JESRP 2, 985 (1974).
(J4a)Pesic, Janji6, Markovi6, Rytel, Siwiec, GHDB J.2, 249
(1974); Pesi6, Markovic, Jankovic, Fizika 1, 83 (1975).
(35) Dixon, Woods, PRL J!!:., 61 (1975).
(36) Gardner, Samson, JCP 62, 1447 (1975).
(37) J,rgensen, S,rensen, JCP 62, 2550 (1975).
(38) See ref. (151) of CO.
(39) Lee, Carlson, Judge, JP B 2, 855 (1976).
(40) See ref. (162) of co.
173
 174
w~x~
w' w"x 11
System v
e
w"
e e e References
e
Description Degrad. l voo

s9co 2. µ = 29.4665940 0
DO = 1. 6 9 eVa DEC 1974

s9c 0 c19'Br {µ = 33.7385391) DEC 1974

Emission bands in the visible (1)(2) and photographic infrared (4)
regions. Tentative assignmentss
System A: 2J049.3 269.1 o.4 271.6 - 0.05 Single heads of line-like app. 23048~4 ( 3)
" Ba 22252.6 304.3 0.75 318.3 2.1 Single heads R 22245.9 ( 3)
" C: 22132.1 306.8 1.65 324. 0 1.5 II .. R 2'2123.5 ( J)
"
..
D: 21731.1 300.2 HQ
HQ
-0.72 322. 8 0.15
2.2
Double heads
..
R 21720. 0
21098.4
HQ
HQ
(3)
(5)
Es 21111.5 306.3 1.6 332.7 " R
II
F: 20712.3 J09.0 2.8 332.7 1.95 Single heads R 20700.4 ( 5)
II
Gs 18J54.5 Jl7.0 HQ 1.6 329.5 2.55 Double heads R 18J48.5 HQ (5)
.. Ht 17927.8 J29.J O.J 337·5 0.2 Single heads R 1792}.7 (5)
II
Ia 17863.7 J26.5 o.8 336.0 0.25 "
II
R 17858.8 ( 5)
" N11 1J8Jl.4 331.3 1.35 316.4 o.88 II . R 1J8J8.7 (4)
" N21 13740.5 332.2 HQ 1.40 313.9 0.50 Double heads R 13749.4 RQ (4)

59Co'"s>cl (µ = 21.9465518) Dg ·= 4.o eva DEC 1974

The following classification (1)(5) of emission bands [see also (2)]
should be considered as tentative only a
System As 22967.3b 420.0 1.66 421.8 1.34 Single heads R 22966.3 (1)
.. Ba 22404.Jb 416.6 0.82 419.4 0.28 II .. R 22402.8 ( 1)
. Ca 22190 4oi. 0 416.2 II .. 22182.5 (4)
.. Ds 22075 410.2 416.4 " " 22072.3 (4)
ti
Es 22014.6b 420.0 1.14 421.2 0.74 II
" R 22013.9 (1)
. F1 21641 408.0 409.0 o.45 - II II
R 21640.4 (5)
ti
G; 21343.0 391.2 2.15 407.1 2.55 II .. R 21335.1 (5)
ti
Ha 21266.1 413.2 2.00 416.8 0.38 "
ti
I R 21263.9 (5)
 System Ve w• w1 x 1 wn wnxn References
e e e e e e
Description Degrad.
I voo

s9c 0 <35>Ct (continued)

System Ii 20971 405.0 0.80 409. 0 Single heads R 20969.1 (5)
" Ji 19957 408.6 HQ - 1.00 4Jl.o Double heads R 19945.8 HQ (5)
" K1 19878 408.4 HQ - 0.50 428.0 II
" R 19868.1 HQ (5)
" Li 0-0 sequence only. " II
R 19826.J HQ (5)
17641 17638.8
17558 17555.9
II
Ms 17486 412.J 416.0 Multiple heads 17484.1 ( J)
17413 17411.0
17JJO 17J28.0
" Nl I 14054.o 462.5 HQ 2.65 482.6 3.65 Double heads R 14044.2 HQ (5)
II
N2r 13946.1 467.6 HQ 1.25 484.3 0.90 II II
R 13937.7 HQ (5)
II
0I 12693.4 478.8 1.38 498.4 - 1.05 "
II
R 12683.0 (5)

aThermochemical value (mass-spectrom.)(l). C0Ct1 aFrom the heat of formation of CoCt(g) reported by (6).
(1) Kant, Strauss, JCP 41, J806 (1964). bThese three band systems may be the three components of a
triplet transition.
C0Br1 (1) Mesnage 9 CR 204, 1929 (1937).
(2) Mesnage, AP(Paris) 12, 5 (1939). (1) More, PR~' 122 (1938).
(3) Rao, Rao, IJP ]£, 609 (1962). (2) See ref. (2) of CoBr.
(4) Rao, Rao, CS Jl, 608 (1968). (3) Krishnamurty, CS 20, 323 (1951); IJP 26, 177 (1952).
(5) Rao, Reddy, Rao, IJPAP 10, 389 (1972). (4) Krishnamurty, quoted in (5).
(5) Rao, Rao, IJP ]2, 556 (1961).
(6) Kulkarni, Dadape, HTS J, 277 (1971).

175
 176
State Te we wexe B ae De re Observed Transitions References
l
e
(lo-4 cm-1 ) (i) Design. voo

s9c 0 c63>cu (µ = 30.4329296)

0
Do = 1.6 2 eVa DEC 1974

59Co<n·>Ge (µ = 32.7908734) D00 = 2. 4 eV a DEC 1974

3
59Co 1 H µ = 0.99088003 DEC 1974

A2 A2 +- x 2 , R 21982 H (6)
Al n a 4a [1527.8] zb 6.701c 0.305 [6.2o]d 1.5934 A1 -+X 1 , R 22243.3b z (l)* (2)*
X2
xl n = 4a 0 [7.151] [4.05] [1.5424]

59 Co 2 H µ = 1. 947 54294 D00 = (J.2) eV DEC 1974

A2 n= 3a [1110.39] zb J.4Jl2e 0.1059 . [1.270]f. i.5883 0 A ~x , R

2 2 21929.19b z (5)* (6)
Jl = 4a 22367.4 1180.9 zb J2.7 J.J94g 0.106 l.Oh 1.5970 A1 ~x 1 , R 22267.5b z (J) (4)* (6)*
Al
X2 n = Ja x i
2 [J.7559]j [1.22J] [1.5181]
xl n = 4a 0 1J7J.22 zb 17.59 J.7571 o.0747k [1.125]1. 1.51785

s9co•6o µ = 12.58047776 D00 = J. 81 eV a DEC 1974

R shaded bands in emission from 10900 to 15900 cm-1 , suggesting w~· = 850, w;x;• = 6. (1)(2)

s9co<31)5 {µ = 20.7272512) D0o = 3.39 eV a DEC 1974

s9c 0 c1s>Si (µ = 18.9709743) n0O= 2.8 1 eV a DEC 1974

CoCua 8Thermochemical value (mass-spectrom.)(l). co 1 H, Co 2H (continued)1
(1) Kant, Strauss, Lin, JCP ~' 2384 (1970). (1) Heimer, Dissertation (Stockholm, 1937).
(2) Heimer, ZP 104, 448 (1937).
CoGea a.rhermochemical value (mass-spectrom.)(l). (3) Klynning, Neuhaus, ZN 18 a, 1142 (1963).
(1) Kant, Strauss, JCP ~' 3579 (1968). (4) Klynning, Kronekvist, PS£, 61 (1972).
(5) Klynning, Kronekvist, PS 1, 72 (1973).
Co 1 H, Co 2Ha (6) Smith, PRS A .J..lg, 113 (1973).
aPossibly 3~ and 3• ; 3~2 not identified.
4 3 Co01 aThermochemical value (mass-spectrom.)[(3), recal-
bcontrary to the definitions adopted in these tables the
band origins here do not include the J-independent terms culated (4)].
-1l2Bv of the rotational energy expressions for the upper (1) Malet, Rosen, BSRSL 14, 382 (1945).
and lower states; the zero lines are obtained by adding (2) Rosen, Nature 1.5.2,, 570 (1945).
- .n2 <B; - B,;) to the values given in the table. Heimer (J) Grimley, Burns, Inghram, JCP 1..5,, 4158 (1966).
(1)(2) uses a different definition. (4) Smoes, Mandy, Vander Auwera-Mahieu, Drowart,
cv=O perturbed from J ~ 10 to J ~ 20. BSCB 81, 45 (1972).
dDl = 5.90 x lo-4.
CoSa aThermochemical value (mass-spectrom.)(l).
en - t ype d OU bl.J.ng u.V
.. {(v=O)
(V=l) = = 0.36}
0.45 X 10 -8J6 •
(1) Drowart, Pattoret, Smoes, PBCS No.8, 67 (1967).
f D = 1. 32 6 x 10 -4 •
1
gPerturbations in all three observed vibrational levels (4). C0Si1 aThermochemical value (mass-spectrom.)(l).
h~ =+0.2xlo- 4 • (1) Vander Auwera-Mahieu, Mcintyre, Drowart, CPL ~'
. e 1
1
x 2 ~ 800 cm- , estimated from the difference B0 (.Q=J) - 198 (1969) •
. BO (.{}. =4 ) •
Jconstants derived from the upper Jl-type doubling com-
ponent; t:.v = 3. 4 2x 10 -8 J 6 + •••
kr: - 0.0013.
J, e
Ho +2.56xl0 -9 1D1=1.157XlO -4 ,H1=+ 5 •9xlO; -9
D2 l.09xl0 -4

177
 178
State Te w
e wexe Be tre De re Observed Transitions References
(lo- 6cm- 1 ) (i) Design. l voo

f2(31p µ = 8.64911823 D00 = 5.2 8 ev a OCT 1976 A

2r;+ 29100.4 836.32 H 5.917 o.6829bc 0.00628 (l.82) 1. 6894 B-+-A, R 21934.J H
(l)*
B 22092.6 H
B-7X, d R 28898.9 H (l)*
A 2n.1 7053.2 1061.99 HQ 6.035 O. 71J e o.0058e (l.J) 1.653
6894.9 5
x 2E+ 0 1239.67 H 6.86 o.7986fc 0.00597 ( 1. JJ} 1.5622

<52 >c r.2. (µ = 25.9702551) D0O = i.5 6 eva DEC 1974

A rotationally resolved absorption band at 21751 cm-l was observed
(2)
in the photolysis of Cr(Co) 6 and could possibly be due to Cr2 •
CPr ~hermochemical value (mass-spectrom.) (5)(6)(7). Cr 2 1 ~hermochemical value (mass-spectrom.) (1).
bSpin-splitting constant ~=(-)0.006.
(1) Kant, Strauss, JCP !±2, Jl61 (1966).
cRKR potential curves (2).
(2) Efremov, Samoilova, Gurvich, OS(Engl. Transl.) J.2.,
~orse-potential Franck-Condon factors (4).
JBl (1974).
eRecalculated from head-head separations in the B-A
system. Similar calculations by (1) gave Be = 0.698,
de= 0.0077. The rotational analysis of the B-A, 0-0
band (3) yields B0 = 0.7101.
fSpin-splitting constant f =(+)0.017.
(1) B~rwald, Herzberg, Herzberg, AP(Leipzig) 20, 569
(1934).
(2) Thakur, Singh, JSRBHU 18, 253 (1967).
(J) Chaudhry, Upadhya, IJP !±J, BJ (1969).
(4) Wentink, Spindler, JQSRT 10, 609 (1970).
(5) Gingerich, TA~' 2JJ (1971).
(6) Smoes, Myers, Drowart, CPL~' 10 (1971).
(7) Kordis, Gingerich, JCP 2§., 5058 (197J).

179
 180
State Te iJ)
wexe Be ae De re Observed Transitions References
e
(lo-4 cm- 1 ) (~) Design. l v 00

cs2>crc19JBr (µ = Jl.3242755)
0
DO = 3.36 eVa DEC 1974
Group of sixteen emission bands in the region 15800 - 16200 cm -1 . ( l)
No analysis.

(µ = 20.8987849) DEC 1974

Five complex groups of line-like bands in the region 15400 - 16900 (6rr);.(6E)
(1)
cm-1 • Tentative analysis suggesting w• = 342, w" = 292. Uncertain.

DEC 1974

cs.ucr t9 F (µ = 13.9103739) DEC 1974

1
R shaded bands in the region 25000 - 26000 cm- • Tentative analysis (6E)-+(6E)
System II1 { 1)
suggesting w• = 500, w" = 536. Uncertain.
1
R shaded bands in the region 22400 - 23800 cm- • Tentative analysis. (6IT)-i"{6E)
System I: (1)
Complex structure.b

DEC 1974

cs1>Cr' H (µ = 0.98864215) DEC 1974

Complex banda in emission and absorption with multiple heads
(JOJ86) (2)(6)
between 30075 and 30480 cm- 1 •
Complex V shaded band in the region 26975 - 27930 cm-l.b B~ (X), (27181) (1)(2)(3)
{ (5)(6)
(11611) [1479.4] Z 21.
5
H 5.337c 0.131 [2.47]d A-+-X, R 11552.29 z (2)(.3)* (4)*
0 [1581. 2 ] H (J2) 6.22oe 0.179 [J.47]f
CrBr1 aThermochemical value (flame photometry)(2).
(1) Rao, CS 18, JJ8 (1949).
(2) Bulewicz, Phillips, Sugden, TFS 21.., 921 (1961).
CrCl1 aThermochemical value (flame photometry)(2).
(1) Rao, Rao, IJP ..£.}, 508 (1949).
(2) See ref. (2) of CrBr.
CrCu1 aThermochemical value (mass-spectrom.)(l).
(1) Kant, Strauss, Lin, JCP _ig, 2J84 (1970).
CrF1 aThermochemical value (mass-spectrom.)(2).
bBarrow (see DONNSPEC) points out the existence of many
coincidences between band heads of system I and band
heads of the A 2 2= - X 2 n system of SiF.
(1) Durgavathi, Rao, IJP 28, 525 (1954).
(2) Kent, 'Margrave, JAGS 1!.Z, J582 (1965).
CrGe1 aThermochemical value (mass-spectrom.)(l).
(1) Kant, Strauss, JCP ~~' J579 (1968).
cr1H, cr 2H1
aDescribed as rather diffuse by (6).
bThe weakness of the emission at low pressures, and the
stronger appearance of the corresponding deuteride system
suggest predissociation of the upper state through a
potential hill (5).
CS pin splitting constants ro = 1. 20' Ao= 0 .14 ( J) ( 4) • Per-
turbations in both V=O and v=l may be caused by a 8 2:
state (J).
d ~ . -4
H0 = +o. 7 x lo ; n1 = 2. J 6 x lo •
eSpin splitting constants ro~ 0.1, Ao= O.OJ (J)(4).
f H = +1.0x 10 -8 ; n = J. 4 Jx 10 -4 •
0 1
(continued p. 18J)
181
 182
State Te w
e w x
e e Be «e De re Observed Transitions References
(lo- 4 cm-1 ) (i) Design. l voo
cs2.)Cr1H (µ = 1.93891666) DEC 1974
B (611) Complex band structure in the region 27020 .. 27540 cm- 1 • B~(X) (5)(6)
6E(+) (11609) [2.737]~ I I [1.782] 11.559.65 z

l
A 1089 H lJ [o.677]h A~X, R (4)*
x 6r;(+) 0 (1182) [3.142] 1 [0.888]j [1.6635]

cs.ucr 1211 (µ = J6.8558457.) D0O= 2.9 4 ev a DEC 1974

(s:i.>c r Ill- N (µ = 11.02953127) 0

DO = J.8 7 eva DEC 1974

cs1)Cr'6Q (µ = 12.22902549) D 0 = 4.4 eVa

0 DEC 1974
0.0044 16487.6 H
r.4874
o.4801 0.0048 16501.2 H
5n 16586b 9.4 o.4751 0.0057 16511.J (1)(2)(3)*
B 750.5 H 1.703 B-+X, R H
(5)* (7)
o.4735 0.0070 16519.4 H
o.4675 0.0050 16515.2 H
Five R shaded emission bands with multiple heads between 11800 and
(11117) (5)*
11990 cm-1 , tentatively assigned as 1-0 sequence of a new transition by (4).

x 511 oc 898.4 H 6.75

0.5348
0.5284
r.5410
0.0049
0.0049
0.0050 1.615
0.5233 0.0036
0.5231 0.0070

cs1> Cr (31)S (u = 19.7901878) 0

DO = 3.3 7 ev
a DEC 1974
B 2J448 510 H 2 B-+ A, R 23393 H (2)
A 0 621 H 4
l I I
Cr1H, Cr 2H (continued)a Cr01 aThermochemical value (mass-spectrom.)(6).
blAI ~ 100.
gSpin splitting constants ro o.64, ).0 0.28. Several
clAI ~ 110. Not certain that this is the ground
perturbations.
h• H =+0.1 x10. -8 state •
0 0
1
Spin splitting constants ro = 0.023, Ao = 0.03. (1) Ferguson, JRNBS §, 381 (19J2).
j
H
0
+ O. 07 x 10 -8 • (2) Ghosh, ZP 1.§., 521 (19J2).
(1) Gaydon, Pearse, Nature 140, 110 (1937). (J) Ninomiya, JPSJ 10, 829 (1955).
(2) Kleman, Liljeqvist, AF 2, 345 (1955). (4) Gaspard, Rosen, quoted in ref. (5).
(5) Gatterer, Junkes, Salpeter, Rosen, METOX.
(3) Kleman, Uhler, CJP JZ, 537 (1959).
(4) O'Connor, PRIA A .§j, 95 (1967). (6) Grimley, Burns, Inghram, JCP ~' 664 (1961).
( 7) Murthy, Nagaraj, PPS 84, 827 ( 1964) •
(5) O'Connor, JP B £, 541 (1969).
(6) Smith, PRS A JJ..g, 113 (1973). CrS1 ~hermochemical value (mass-spectrom.)(l).

CrI1 aThermochemical value (flame photometry)(l). (1) Drowart, Pattoret, Smoes, PBCS No. 8, f21_, (1967).
(1) See ref. (2) of CrBr. (2) Monjazeb, Mohan, SpL ..§., 14J (1973).

CrN; ~hermochemical value (mass-sp~ctrom.)(l).

(1) Srivastava, Farber, HTS j, 489 (1973).

183
 184
State T w wexe B tre De re Observed Transitions References
e e e
(io- 6cm-1 ) (.i) Design. I voo
12c32 5 0
µ = 8.72519418 D0 = 7-355 eva I.P. = ll.J3 5 evb OCT 1976 A
Fragments of further band systems and Rydberg series. (12)*
G (81373) [1229] G~X, 81J47 (12)*
F I I
Continuous absorption to a repulsive state; 74600 - 76300 cm- 1 •
I Ft- X, 77537 (12)*
(12)*
E (71890) [1459] H E+- X, (V) 71979 H (12)*
c (JI:+) c~ X, c 71803 H (12)*
c ( li:+) (71255) [1425] H C+-X,d
H 71327 (12)*
B ( lr;+) (64868) [1332] H B~ X, (V) 64893 H (12)*
A' 12:+ 56505 462.4 H 7.46e I
0.5114 o.0109f (2.5) 1.944 AI-+ X, R 56093 H (15)*
x, y Fragments of two perturbing states (Bx< o.61, By<. O. 77) near 39170 and 39950 cm- 1 • (J)
A new band at 39138 cm- 1 , originally (14) attributed to a 36 state, is now believed to be
due to v=ll of a3n (24).
A ln 38904.4 1073-4
g z 10.l o.78ooghi o.0063j (1.65) 1.5739
I
Ak~X, i. R 38797.6 z (la)* (3)*
e Jr;- 38683 752m 4.7 o.619 4m 0.0040 ( 1.63) 1.766 e+- X, R 38417m (3)*
d 3t;.n 35675.0 795.6° 4.91 0.6367° 0.0061 (1.63) 1.7420 d~ x, R J54Jo.6° {3)* (14)(27)
1
a' Jr;+ 31331.4 830.7° 5.04 o.6489°P 0.0060 I ( 1.53) l.7255 a I+- x,
R 31104.6° {J)* (14)(27)
Unclassified emission bands, probably due to triplet - triplet transitions, in the region
lJJOO - 22200 cm- 1 • (22)*
a Jn 27661.0q 1135.1° 7.73 0.7851° 0.0072 [l.94]r 1.5687 a~x, s R 27585.7° (8)(22)* (27)
r
x li:+ 0 1285.08 z 6.46 o.8200462i 0.0059224 1.43 1.534941 Microwave sp. t (1)(4) (2Ja)
cs, cs+,
aFrom a short extrapolation of the vibrational levels in A'
1 E+ (15), assuming that the atomic products arising at the
dissociation limit are c,JP 2 + S,JP 2 • The latest thermo-
chemical (mass-spectrometric) value is 7.21 eV (18). Both
values agree with an upper limit (< 7.7 eV) derived from
infrared chemiluminescence studies (14a), and the correspon-
ding heats of formation, tili~ 0 = 66.11 or 69.5 kcal/mole,
respectively, are supported by photodissociation (20a) and
photoionization (7a) results for cs 2 • See, however, (26)(29)
who suggest 6H~ 0 = JJ kcal/mole, implying ng = 8.7 eV.
9
bFrom the photoelectron spectrum (16)(17)(20).
cSingle weak absorption band.
dBands described as diffuse.
eweye = - 0.108, weze = - 0.0377.
f + 0.00112(v+~) 2 - o.000208(v+~)J.
gDeperturbed constants (J); all observed vibrational levels
of this state are strongly perturbed by interactions with
a Jn, a' JE+, d 36, e JE- (la) (J) (14). The following rather
different set of deperturbed parameters is given by (27)1
Te = )8895.7, we = 1077.J, wexe = 10.66, Be = 0.7881, oce =
0.0092.
h.A.-doubling intervals in v=O (J=l-9) range from 0.00045 to
0.05961 cm- 1 (1J)(l4). The variation with J of the Stark
effect was observed in optical-rf double resonance and was
analyzed (14) to give µel(v=O) = 0.63 D (+cs-); see also
(lJ).
iRKR potential functions (6).
j ae = - o. 0004.
kLifetimes from Hanle effect observations r(v=O) = 176 ns
(corrected for lengthening by triplet mixing), T(v=2)
20J ns (21). The phase shift method (10) gives t(v=O)
255, '1:(v=l) = JJ9, T(v 2: 2) = 292 ns; f 00 = 0.0059.
!Morse-potential Franck-Condon factors (5); compare with ex-
perimental values from the fluorescence s4ectrum excited in
theVUVphotolysis of cs 2 and OCS (25). CJ S isotopic bands
(7)(11).
mOnly v=l and 2 observed (J); the vibrational numbering is
from isotope studies (14). The following set of deperturbed
parameters is given by (27)1 Te= J8681.9, we= 752.8, wexe
= 4.95, Be = 0.6227, ~e = 0.0062. Spin-splitting in v=l:
A.+~r = 1.75 (J).
nThis state, originally (J)(l4) considered to be Jn and
labelled k, is now believed to be J6 (19)(24). The name has
been changed to d J6 in order to emphasize the similarity
to CO. A ~ - 50.
0
Deperturbed constants (27).
Pspin-splitting constant A(v=lO) - 1.28 (14).
qA ~ 95 cm- 1 •
rFrom (22).
9
Two sub bands corresponding to 3n - JE+ and 3n - JE+ have
1 0
been observed (22).
~ipole moments [-CS+, see (2J)] from Stark effect µel(v=O)
= 1.958 D, µ l(v=l) = 1.93 6 D (9). Zeeman effect (2J),
molecular g ~actor -0.2702. 3 2s;33s and 3 2s;3 4 s mass ratios
from microwave spectra (2).
(continued p. 186)
185
 186
State Te we wexe B
e ae De re Observed Transitions References
(lo- 6cm-1 ) (i) Design. l voo
r2c32s + Do0 = 6.38 0 eVU OCT 1976 A
c 2I:+ 54120 1055v 5396ov (20)
B 2I:+ 36470 868v J6210v (20)
A 2n. 11990W 1012.8 z 6.52 0.71776 0.00622 l.82x 1.6407 A-+X, R 11806.3 z (28)
J.
x 2I:+ 0 1J84y [o.864o 0 ]z [1. 26] [1.4954]

cs, cs+ (continued)c

uno0 ccs) + I.P. (S) - I.P. (CS).
vFrom the photoelectron spectrum (20); see also (16).
WA= - 298.46 (28).
X4 -6
'"e = + 0.15 x 10 •
YFrom the photoelectron spectrum (20); (16) and (17) give
lJJO and 1290 cm-1 , respectively. Only one level has been
found in the optical spectrum (28).
zSpin-splitting constant fo = + 0.0201.
 (1) Mockler, Bird, P~ .2.§., 1837 (1955).
(la) Lagerqvist, Westerlund, Wright, Barrow, AF 14, 387
(1958).
(2) Rosenblum, Townes, Geschwind, RMP JQ, 409 (1958).
(3) Barrow, Dixon, Lagerqvist, Wright, AF 18, 543 (1960).
(4) Kewley, Sastry, Winnewisser, Gordy, JCP J.2., 2856
(1963).
(5) Felenbok, PPS 86, 676 (1965).
( 6) Nair, Singh, Rai, JCP !±J, 3570 (1965).
( 7) Narasimham, Gopal, CS Jj, 485 (1966).
(7a) Dibeler, W~lker, JOSA ..2.Z, 1007 ( 1967).
(8) Tewarson, Palmer, JMS ~' 246 (1968).
(9) Winnewisser, Cook, JMS 28, 266 (1968).
(10) Smith, JQSRT 2, 1191 (1969).
(11) Chaudhury, Upadhya, Thakur, IJP 44, 375 (1970).
(12) Donovan, Husain, Stevenson, TFS 66, 1 (1970).
(13) Silvers, Bergeman, Klemperer, JCP ~' 4385 (1970).
(14) Field, Bergeman, JCP 2±., 2936 (1971).
(14a) Hancock, Morley, Smith, CPL 12, 193 (1971)1
Hancock, Ridley, Smith, JCS FT II 68, 2117 .(1972).
(15) Bell, Ng, Suggitt, JMS 44, 267 (1972).
(16) Jonathan, Morris, Okuda, Smith, Ross, CPL 1J., 334
(1972); FDCS No. 54, 48 (1972).
(17) King, Kroto, Suffolk, CPL 1J., 457 (1972).
(18) Hildenbrand, CPL 12,, 379 (1972).
(19) Robbe, Schamps, CPL 12,, 596 (1972).
(20) Frost, Lee, McDowell, CPL lZ, 153 (1972).
(20a) Okabe, JCP 2§., 4381 (1972).
(21) Silvers, Chiu, JCP 2§., 5663 (1972).
(22) Taylor, Setser, Coxon, JMS 44, 108 (1972).
(23) McGurk, Tigelaar, Rock, Norris, Flygare, JCP 2§., 1420
(1973).
(23a) Lovas, Krupenie, JPCRD J, 245 (1974).
(24) Bruna, Kammer, Vasuderan, CP 2, 91 (1975).
(25) Lee, Judge, JCP .£], 2782 (1975).
(26) Hubin-Franskin, Locht, Katihabwa, CPL JZ, 488 (1976).
(27) Cossart, Horani, Rostas, quoted by Cossart, Bergeman,
JCP £2, 5462 (1976).
(28) M. Horani, unpublished.
(29) Hubin-Franskin, Katihabwa, Collin, IJMSIP 20, 285
(1976).
187
 188
State w w x
e e Observed Transitions References
l
e
Design. v 00

µ = 66.452718 3.592< I.P.(eV)b< 3.821 OCT 1976 A

Unidentified structure in the absorption spectrum from Jl800 to 34900, 36700 to 41700 cm- 1 (9)

Fragments of other systems, as well as diffuse bands near atomic lines.c (1) (4)

(E) Strong system in the region 19140 - 21700, maximum at 20800 cm- 1 • (l)* (7)(14)
D Weak system in the region 16500 - 18000 cm- 1 • D~ X, (1)(7)
c ( lnu) lu 15948.60 29.703e (Z) o.0576e I o.01347f 0.0000785 I 12.1og I 4.34 0 cd~x, VR 15942.45 (Z) (l)* (2)(10)
B (lllu) lu 1J04J.88 34.329h H o.o8ooh B~X, R 13040.03 H (l)* (12)
A (lI:+)
u
Extended system in the region 8800 - 11500 cm- 1 ; partial analysis. A~X, R (1) (3) (8) (15)

b (Jn )
u
Unresolved system from 8000 to 8600 cm- 1 , maximum at 8370 cm- 1 • b~X, (8)(15)
a Jr:~ (Jl40) Repulsive curve with small van der Waals minimum.
x lr:+
g 0 42.022i o.0823i l 0.0127/ 0.0000264 J 4.64f J 4.47 Mal. beam magn. reson. j

D0 0.61 evk OCT 1976

x (
Cs 2+ i
aShort extrapolation of ground state vibrational levels (12).
bAssociative ionization of cesium vapour (16); see also (18).
(11) give an appearance potential of 3.8 0 eV, (16) recommend
3.68 eV as the most likely value.
cSatellites and self-broadening of Cs principal lines (17)
(21). Resonances in the two-photon ionization spectrum of
cesium corresponding to the fundamental and diffuse series
in absorption result from reactions initiated by molecular
transitions to intermediate dissociative states; see (20).
dintermediates in the two-photon ionization of Cs 2 (19)(22).
ew e , ••• , we z e obtained (10) from V shaded P heads [also ob-
served in the magnetic rotation spectrum (12)] and calcu-
lated head~origin separations; see f
fThe rotational structure of the C-X bands is not resolved.
The rotational constants for both states are based on esti-
mated values for Bc)', D 01 and have been adjusted to reproduce
the observed V as well as R shaded heads in the P, Q, and R
branches. The red-degraded heads occur through the D terms
in the rotational energy expressions. See (10).
gf>e = - o.193x 10- 9 ; see f.
hwe' ••• , weze from band heads in the magnetic rotation
spectrum (12). Vibrational levels up to v'=83 observed in
absorption. The B state extrapolates to a potential maximum
. at "-'250 cm- 1 above 6 2·P + 6 2s (12).
312 112
.lAverage of the constants from B- X and C - X ( 10) ( 12). Also
higher order constants. Vibrational levels observed up to
v"=lOO.
jeqQ( 1 33cs) = + 0.23 MHz (5); gJ = 0.00547 µN (6).
k 0 b
D (Cs ) + I.P.(Cs) - I.P.(Cs ); see
0 2 2 •
~Rough estimate from the analysis of charge-exchange cross
sections (lJ). Theoretical values tend to be larger (20a).
(1) Loomis, Kusch, PR 46, 292 (19J4).
(2) Kusch, Loomis, PR !±2, 217 (1936).
(3) Finkelnburg, Hahn, PZ J.2., 98 (1938).
(4) Tsi-Ze, Shang-Yi, JPR 2, 169 (1938).
(5) Logan, Cot~, Kusch, PR 86, 280 (1952).
(6) Brooks, Anderson, Ramsey, PRL 10, 441 (1963);
PR A 11£, 62 (1964).
(7) Lapp, Harris, JQSRT Q, 169 (1966).
(8) Bayley, Eberlin, Simpson, JCP !±2, 286J (1968).
(9) Creek, Marr, JQSRT §, 14Jl (1968).
(10) Kusch, Hessel, JMS £2., 205 (1968).
(11) Foster, Leckenby, Robbins, JP B g, 478 (1969).
(12) Kusch, Hessel, JMS ..:g_, 181 (1969).
(13) Olson, PR 1§2, 15J (1969).
(14) Baumgartner, Demtr~der, Stock, ZP g..:g_, 462 (1970).
(15) Sorokin, Lankard, JCP .22., J810 (1971).
(16) Marr, Wherrett, JP B ,2, 1735 (1972).
(17) Niemax, PL A.]§, 141 (1972).
(18) Popescu, Pascu, Collins, Johnson, Popescu, PR A §,
1666 (197J).
(19) Collins, Johnson, Popescu, Musa, Pascu, Popescu,
PR A§, 2197 (197J).
(20) Collins, Johnson, Mirza, Popescu, Popescu, PR A 10,
813 (1974) •
(20a)Bellomonte, Cavaliere, Ferrante, JCP 61, J225
(1974).
(21) Niemax, Pichler, JP B 1, 1204 (1974); §, 2718
(1975).
(22) Granneman, Klewer, Nygaard, Van der Wiel, JP B 2,
865 (1976).
189
 190
State Te w Observed Transitions References
e
Design. 1 v 00

133Cs lf.o Ar µ = J0.7241573 OCT 1976 A

Strong emission at 17800 and weaker bands at 18500 cm- 1 , just to the
D 1 D -+X, (4)
red of the forbidden 7s-6s Cs line at 18536 cm- .a
Weak emission bands on either side of the forbidden 5d-6s Cs lines at 14499 and 14597 cm-1 • (4)
B 2r;+ Unstable. b B~ X, b (2)(J)
2 Weakly bound state, well depth De ~
JOO cm-1.b
A 2IIJ/2 A~X,b (2)(J)
Il1;2 Weakly bound state, well depth D0 ~ 200 cm -1 • b
x 2r;+ Unstable.b

f~3cs 79Br µ = 49.5160454 0

D0 = 4.17 eVa I.P. = 7.72 eVb NOV 1976
Strong autoionization peaksc in the photoionization spectrum at and above 12.5 eV (13): also
(12)(13)
observed by (12) in the energy loss spectrum of 25 keV electrons. j
1
Absorption continua with maxima at 46900, 39300, 36300 cm- (1)(3)(10), followed by diffuse
absorption (fluctuation) bandsd in the region 34200 - 27900 cm-l (1)(2)(J). The chemilumi- (1)(2)(J)
nescence spectrumd (19) consists of a long ground-state vibrational progression which ex- (10)(19)
tends from 28000 to 17000 cm- 1 •
x lI:+ 0 149.66° 0.374• I0.03606925 0.00012401/J 8.380/ l 3.072251 Microwave sp. h
(4)(8)(17)
(18)

133CsC79JBr+ NOV 1976 A

A (12) J200j
x (!, i) oj
CsAr: aThe bands are believed to arise from transitions CsBr, CsBr+ (continued)1
between a bound Cs(7so)-Ar excited molecular state f + 1. 02 x 10-7 ( v+!) 2 + 3. x 10-lO ( v+t) .3 ( 18).
and the unstable 6so ground state. 2
g/3e = +O. 0064 x lo-9; also higher order constants ( 18).
bThe far-wing emission profiles of the collision-
hµei. = l0.8 2 D (molecular beam electric deflection) (21) 1
broadened Cs resonance lines at 11178 and 11732 cm -1
eqQ(79Br) ~ -[6.79 - 0.73(v+:t)J MHz (14) I
have been analyzed (2) to give the potential curves for
.gJ(V=O) = (-)0.009 9 µN. (16) • . . .
the states X, A, B in the interval 3.5 - 6 ~I see also iFrom I.P.(CsBr) and the threshold energy for dissociative
the theoretical calculations of (1). Absorption coef- ionization (Cs+from CsBr), see (lJ). (20) give 0.24 eV.
ficients in the wings of these lines have been measured jFrom the photoelectron spectrum (15)(20). The two observed
(3); barely detectable maxima in the red wings may be
broad peaks (see b) correspond to removal of an electron
due to vibrational structure in the A 2n components.
from the halogen 4p shell.
(1) Baylis, JCP j1, 2665 (1969).
(1) Muller, AP(Leipzig) 82, .39 (1927).
(2) Hedges, Drummond, Gallagher, PR A§, 1519 (1972). (2) Sommermeyer, ZP jQ, )48 (1929).
(3) Chen, Phelps, PR A 1, 470 (1973).
(3) Barrow, Gaunt, PRS A~' 120 (1953).
(4) Tam, Moe, Park, Happer, PRL J...2, 85 (1975).
(4) Honig, Stitch, Mandel, PR~' 901 (195.3)1
CsBr, CsBr+1 Honig, Mandel, Stitch, Townes, PR .2.£, 629 (1954).
(5) Rice, Klemperer, JCP _g_z, 573 (1957).
aFrom the threshold for dissociative photoionization (13),
(6) Brewer, Brackett, CRev 61, 425 (1961).
in good agreement with the thermochemical value of (6);
(7) Bulewicz, Phillips, Sugden, TFS 51_, 921 (1961).
see also (7)(9). The value quoted here corresponds to
(8) Rusk, Gordy, PR ill, 817 (1962).
dissociation into normal atoms; see, however, (11) who
(9) Scheer, Fine, JCP J.2, 1647 (1962).
demonstrated that under some conditions (shock waves) the
(10) Davidovits, Brodhead, JCP 46, 2968 (1967).
primary dissociation products are ions (Cs++ Br-) rather
(11) Berry, Cernoch, Coplan, Ewing, JCP ~' 127 (1968).
than normal atoms in violation of the non-crossing rule.
(12) Geiger, Pfeiffer, ZP 208, 105 (1968).
bPhotoionization mass-spectrometry (13). Average values
(13) Berkowitz, JCP .2.Q, 350.3 (1969).
(photoelectron spectroscopy) for the vertical first and
(14) Hoeft, Tiemann, Tarring, ZN _g_z a, 702 (1972).
second ionization potentials1 8.12 and 8.51 eV (15)(20).
(15) Berkowitz, Dehmer, Walker, JCP j2, 3645 (197.3).
cAssociated with excitation of an electron from the metal
(16) Honerjager, Tischer, ZN 28 a, 458 (197.3).
5p shell. (17) Miller, Finney, Inman, AD j, 1 (1973).
dThe absorption and tne emission bands arise from tran-
(18) Honerjager, Tischer, ZN~ a, 819 (1974).
sitions between a shallow homopolar upper state (from
(19) Oldenborg, Gole, Zare, JCP 60, 4032 (1974).
normal atomic products) and the low- and high-lying vi-
(20) Potts, Williams, Price, PRS A~' 147 (1974).
brational levels, resp., of the ionic ground state.
(21) Story, Hebert, JCP 64, 855 (1976).
eDerived from the rotational constants (18). See also (5).
191
 192
State w wexe Be «e De re Observed Transitions Re{erences
e
(10-?cm- 1 ) (i) Design. J v 00

µ = 27.6847083 D00 = 4.58 eVa I.P. = 8.3 2 ev b NOV 1976 A

Strong autoionization peaksc at and above 12.4 eV in photoionization (15) and electron
(13)(15)
energy loss spectra (13).
I

l
Absorption continua with maxima at 51500 and 40500 cm-l (1)(3)(12), followed by diffuse ab-
sorption bands (fluctuation b.) from 40850 to 29840 cm-1 (3). The chemiluminescence spectrum (1)(3)(12)
(21) consists of a long lower-state vibrational progression and extends from 29400 to 20800 (21)
1 (6)
cm- • See d of CsBr. IR sp.
0 214.17d o.731d 0.07209149 0.00033756e 0.32675f 2.90627 2 Microwave sp.g h (4)(10)(19)
(20)
Mol. beam el. reson. (2)(5)(14)
Mol. beam magn. reson. (11)

12csose µ = 10.43336114 D00 = 5.9 8 ev a NOV 1976

A ln (35243) [817.7Jb [o.487]c [1.821] A~X, R 35135.25d (l)* (2) (3)*
(6)*

Jn{~o+
(not observed)
a (24466) [0.544] [1. 723] a-+X, 24396.6
R z (4)
(24150) [893.2] H [0.544] 24080.0 z
x lL:+ 0 1035.36 z 4.86 o.575oe 0.00379 7.1f l.67647g Microwave sp. h (5)

CsCta aThermochemical value (7), confirmed by the photoioni- CsCl (continued)s

zation data of (15). See also (8)(9).
bOnset of a broad band in the photoelectron spectrum,
maximum (vertical I.P.) at 8.75 eV (22). The photo-
electron spectrum was also investigated by (17) who
find 7.84 and 8.54 eV, respectively.
cinterpretation analogous to CsBr (footnote 0 ).
dCalculated from the rotational constants (20). Good
agreement with the less precise values from the infra-
red spectrum (6).
e+ 3.42x 10-7(v+~) 2 + l.8x io- 9 (v+t) 3 (20).
CsC! (continued)1 CSe1 aThermochemical value (mass-spectrom.)(Ja).
b6G(J/2) = 8JJ.7; from the Q(l) lines of the 0-l, l-1,
f f>e = + 0.00038 x 10-7; also higher order constants (20).
2-l bands (6). This state is strongly perturbed and no
geqQ(J5ci) = + [l.8JO - o.118(v+!)] MHz,
leqQ(lJJcs)I= 1.1 MHz (16).
meaningful vibrational and rotational constants can be
given. The absorption spectrogram of (J) shows in ad-
g = - [0.02815 - O.OOOJl(v+!)] µN (18); see, however,
3 dition to 1 rr- 1 E some absorption bands probably due to
h(ll) who give g 3 = (-)0.021 2 •
some of the perturbing levels, in particular one pro-
µel = [10.358 + 0.058(v+t)J D (14).
gression which may be a'JE+~x 1 E+ in analogy to CO
(1) Schmidt-Ott, ZP .£2., 724 (19Jl). and cs.
(2) Luce, Trischka, PR 82, J2J; .§.], 851 (1951); JCP 21, cB 1 o.497, B2 = o.482, BJ= o.447; see b.
105 ( 195J). dQ(l) line for the 0-0 band (6).
(J) See ref. (J) of CsBr. eB 0 0.573155 from the microwave spectrum (5).
(4) .See ref. (4) of CsBr. f
foe= - o.2 5 x 10 -7 •
(5) Trischka, JCP _gj, 784 (1956). gFrom the B0 values for various isotopes obtained from
(6) See ref. (5) of CsBr. the microwave spectrum (5).
(7) See ref. (6) of CsBr. hDipole moment from Stark effect 1.99 D (5); molecular
(8) See ref. (7) of CsBr. g factor from Zeeman effect -0.24Jl.
(9) See ref. (9) of CsBr.
(10) Clouser, Gordy, PR A 1.J!±, 863 (1964). (1) Barrow, PPS .21, 989 (1939).
(11) Mehran, Brooks, Ramsey, PR 141, 9J (1966). (2) Laird, Barrow, PPS 66, 836 (1953).
(12) See ref. (10) of CsBr. (3) Callear, Tyerman, TFS 61, 2395 (1965).
(lJ) See ref. (12) of CsBr. (3a) D. Detry (unpublished), quoted in DONNSPEC (1970).
(14) Hebert, Lovas, Melendres, Hollowell, Story, Street, (4) Lebreton, Bosser, Marsigny, JP B 2, L226 (1973).
JCP 48, 2824 (1968). (5) McGurk, Tigelaar, Rock, Norris, Flygare, JCP j£i,
1420 (1973).
(15) See ref. (lJ) of CsBr.
(16) Hoeft, Tiemann, TBrring, ZN _gz a, 1516 (1972). (6) Stringat, Bacci, Pischedda, CJP .if., 813 (1974).
(17) See ref. (15) of CsBr.
(18) See ref. (16) of CsBr.
(19) See ref. (17) of CsBr.
(20) See ref. (18) of CsBr.
(21) See ref. (19) of CsBr.
(22) See ref. (20) of CsBr.

193
 194
State Ul Ul x
e e Observed Transitions References
e
Design. J v 00

µ = 16.6223003 ng = 5.1 5 eVa I.P. = 8.8 0 eVb NOV 1976

Several autoionizing statesc at and above 12.1 eV (16), also observed in the electron
(14)(16)
energy loss spectra of (14). j
1
Continuous absorption with maximum at 47700 cm- , preceded by diffuse absorption bands
(2)
(fluctuation b.) in the region 43700 - 36900 cm-1 • See d of CsBr.
IR sp. (12)
d d e f
x 0 352.56 1.61 5 0.18436969 0.0011756 2 0.20168 2.345351 Microwave sp. (J)(l0)(20)(21)
(1) (4) (9)
Mol. beam el. reson. g
(13)(15)(17)
Mal. beam magn. reson. (11)

µ = 1.00024037 °
n0 = 1. 81 eva NOV 1976
a (3A) [28534]b [276]b [1.5l]b (4)
B 12:+ [28350.5]C [82.l]c z [o.7o]c (4.63) B.(;-X, R 27908.2c Z ( 4)
A 12:+ e
17845. 8 165.7 z l.075 -0.0219 J.96 0 A~X, R 17488.
3
Z (1)(2)(5)
x 12:+ 0 891.0 2.7099 0.0579 2.4938

µ = 1. 98403535 NOV 1976

i
(17833) (123.9) (-3.08)h A<.-- X, R (2)(J)
0 [619.1] H [1.354] [20] [2.505]

NOV 1976 A
Potential curves for X 22:, A 2n, and B 2 2: in the interval r = J.5 to 5.5 i have been derived
from the anallsis of the extreme-wing emission profiles of the Cs resonance lines at 11178 (1)
and 11732 cm- • Only A 2 rr has a small potential minimum, De~ 170 cm- 1 •
312
CsF1 8Thermochemical value (5) r se·e also (6) (7) (18). cs 1 H, cs 2H:
bAdiabatic ionization potential from the photoelectron aShort extrapolation of vibrational levels in B 1 I+ to
spectrum (19); vertical I.P. at 9.6 0 eV. the limit 2n + 2s ( 4). A longer extra po la ti on of the
cinterpretation analogous to CsBr (footnote c). ground state levels (5) gives 2.08 eV.
dDerived from the rotational constants (21); good agree- bconstants for the lowest of three levels observed in
ment with infrared results (12). See also (8). small perturbations of B 1 I+; A~ 14. Vibrational num-
e+ l.18x lo- 6 (v+t) 2 + l.7 x lo- 8 (v+t) 3 (21).
7 bering unknown, Sl = 3 not observed.
f fo = + o. 00031 x 10-6 ; also higher order constants ( 21). cConstants for the lowest of eleven observed levels, v'
gµ
e .
= [7.8478 + 0.07026(v+t) + 0.000195(v+t)
2] D (15) (17);
e£ 1 2 = 11 2: 3. fl.G increases to 93.7 for v::l8; Bv(v cf 18) =
eqQ( 33cs) = + [1245.2 - 16.2(v+t) + o.31(v+t) ] kHz (13) (17);
0.787 - o.0076(v+t). For v>l8 both fl.G and Bv decrease
gJ(v=O) = (-)0.06420 µN' for vfO see (9)(20); see also (11). rapidly.
d _ o.29 (v+~)3 + o.oo4o(v+i) 4 (valid for v ~15).
(1)
(2)
Trischka, PR 1!±, 718 (1948); 12., 1365 (1949).
See ref. (3) of CsBr.
7
e - o. 00131 ( v+-?2) 2 (valid for v ~ 13) •
(3) See ref. (4) of CsBr. ff.>. = - 2.0xlo- 6
e
(4) See ref. (5) of CsC£. g weY e = + O• 10 5' we z e = - 0.0018. Observed up to v"=l4
(5) See ref. (6) of CsBr. in laser-excited fluorescence (5).
(6) See ref. (7) of CsBr. . e y e = - (0.058); from band heads, 8 ~ v' ~ 18.
hw
1
(7) See ref. (9) of CsBr. only the 10-0 and 11-0 bands have been rotationally
(8) Ritchie. Lew, CJP 42, 43 (1964). .analyzed (2); B10 = 0.587, B11 = 0.586.
(9) Gr~ff, Runolfsson, ZP 1.§1., 140 (1965). JBand origins for the 10-0 and 11-0 bands at 19091.2
(10) Veazey, Gordy, PR A~' 1303 (1965). and 19261.8 cm- 1 •
(11) See ref. (11) of CsC£. (1) Almy, Rassweiler, PR 2.J., 890 (1938).
(12) Baikov, Vasilevskii, OS(Engl. Transl.) 22, 198 (1967). (2) Bartky, JMS 21, 25 (1966).
(13) English, Zorn, JCP !±1, 3896 (1967). (3) Cs~sz~r, Koczkas, APH _g], 211 (1967).
(14) See ref. (12) of CsBr. (4) RingstrBm, JMS J.Q, 232 (1970).
(15) See ref. (14) of CsC£. (5) Tam, Happer, JCP 64, 2456 (1976).
(16) See ref. (13) of CsBr.
(17) Bennewitz, Haerten, Klais, MUller, CPL 2, 19 (1971); CsHe: (1) See ref. (2) of CsAr.
ZP ~' 168 (1971).
(18) JANAF (1971).
(19) See ref. (15) of CsBr.
(20) See ref. (16) of CsBr.
(21) See ref. (18) of CsBr.

195
 196
State w we x e Be a'e De re Observed Transitions References
l
e
(lo-9cm- 1 ) (i) Design. v 00

0
µ = 64.9178261 Do = 3.56 eva I.P. = 7.25 eVb NOV 1976 A

Autoionizing levels at and above 12.6 eV (12); these states are also seen in the electron
(11)(12)
energy loss spectrum of (11). Interpretation analogous to CsBr. I
Continuous absorption with maxima at 54050, 50250, 46500, 41400, 38800, 30900 cm- 1 (2)(3)
(10), followed by diffuse absorption bands (fluctuation b.) in the region 29140 - 22900 cm- 1 (1)(2)(3)
(1)(3). The chemiluminescence spectrum (17) consisting of a long lower-state vibrational (10)(17)
progression extends from 25000 - 18000 cm- 1 • See d of CsBr.
0 119.178° 0.2505° ~0.023627357 o.000068263dJ 3.7146° I 3.315192 Microwave sp.f (4) (8) (16)

n0° = 0.21 evg NOV 1976 A

80000 - } Two or perhaps three peaks in the 17 - 20 eV region of the photoelectron spectrum are be-
(14)
100000 lieved to arise from the removal of an electron from the metal 5p shell of Cs+I-.
A (t) (740~) } From the photoelectron spectrum; removal of an electron from the halogen 5p shell of Cs+I-.
(14)(18)
x (-i, !) The i and ! components of the stronger peak are not resolved.

133C s calf.> Kr (µ = 51.4364566) NOV 1976 A

Strong emission at 17700 and weaker bands near 18500 cm- 1 , attributed to transitions from a
( 2)
stable Cs(7so)-Kr upper state to the unstable 6str ground state. I
Weak emission bands on either side of the forbidden 5d-6s lines at 14499 and 14597 cm-1 • (2)

The analysis of the far-wing emission profiles of the Cs resonance lines (11178, 11732 cm- 1 )
indicates that only A 2ns 1 are stable states with well depths of "'350 cm- 1 • Atomic scat- (1)
;:_,2
tering data [see ref. in (l)] predict a small ground state minimum. J
 State Te w
e w x
e e Be ae De re Observed Transitions References
CR) Design.
1 voo
133Cs c20> Ne (µ = 17.J782925) NOV 1976 A
Strong emission at 18020 and a narrow band at 18570 cm- 1 , as well as weaker bands in the
(2)
14000 - 15000 cm -l region; see the analogous transitions of CsAr and CsKr.
The molecular states associated with the Cs resonance lines at 11178 and 117J2 cm- 1 (see
(1)
Cs-Ar, He, Kr) are unstable except A 2n which has a potential minimum of ""'lJO cm-1 •
312

CsI, CsI+: CsI, CsI+ (continued)s

aAverage of a thermochemical value (6) and a value ob- (1) See ref. (2) of CsBr.
tained from photodissociative ionization of CsI (12). (2) See ref. (1) of CsC.t.
See also (7)(9).
bFrom photoionization mass-spectrometry (12). The adia-
.
(J)
See ref. (3) ••• (10) of CsBr, respectively.
batic ionization potential from photoelectron spectros- (10)
copy (14)(18) is 7.10 eV; the first and second vertical (11) See ref. (12) of CsBr.
potentials are 7.54 and 8.46 eV (average values). (12) See ref. (lJ) of CsBr.
cDerived from the rotational constants (16). See also (lJ) Hoeft, Tiemann, Tarring, ZN _g_.z a, 1017 (1972).
(J)(5). (14) See ref. (15) of CsBr.
d+ 4.89 x l0- 8 (v+!) 2 + l.1 4 x lo- 10 (v+~.)J (16). (15) See ref. (16) of CsBr.
e fo = +o. 0023 0 x 10-9; also higher order constants ( 16). (16) See ref. (18) of CsBr.
f e See ref. (19) of CsBr.
µet= 11.6 D (molecular beam electric deflection) ( 19); (17)
9
eqQ( 12 7r) = -[14.28+ 2.lO(v+~)] MHz, (18) See ref. (20) of CsBr.
leqQ( 1 33cs)l ~ 1 MHz (lJ); (19) See ref. (21) of CsBr.
jgJI < 0.0036 µN (15). CsKr, CsNe1
gFrom the photoionization data of (12). Using 7.1'0 instead
of 7.25 eV for I.P.(CsI) (see b) would increase this value (1) See ref. (2) of CsAr.
to 0.36 eV. (2) See ref. (4) of CsAr.

197
 198
State w
e
we x e Observed Transitions References
Design. l v 00

µ = 14.27673703 NOV 1976

0 Ground state symmetry from matrix ESR spectroscopy (2) and magnetic and electric deflection
(1)(2)
analysis of Cs+ N0 2 scattering products (1).

(µ = 66.2014517) NOV 1976 A

Absorption bands arising from molecular upper states correlated with various excited levels
(4)
of atomic Cs, 22100 - 24700 cm- 1 • I
Strong emission at 17470, accompanied by much weaker features at 18500 cm- 1 (3); also obser-
ved in absorption (4). The blue wing of the main peak shows undulations which may be due to (3)(4)(5)
vibrational levels in the upper state. See the analogous transitions of Cs-Ar, Kr, Ne.
Complex structure in emission and absorption from 13500 to 15900 cm- 1 ; see Cs-Ar, Kr, Ne. (J)(4)(5)
The analysis of the far-wing emission profiles of the Cs resonance lines at 11178 and 11732
cm- 1[(2); see also (l)] shows that B 2E is unstable, A 2 ni and 2 n3 have potential minima of (2)
1 2 2 ;:
430 and 500 cm- , resp., and X E is very weakly bound.

6?.Cu2 0
D0 = 2.03 eVa I.P. = 7.3 7 evb
µ = 31.4647949 DEC 1974 A
Additional band systems attributed to cu 2 in the regions 34500 - 37000, 39000 - 40100, and
(5)
40600 - 42900 cm- 1 • No analysis.
lr;+ z 2.0c 0.000606 6.30 2.3276 B~X, R 21747.88 z (l)* (2)(7)
B u 21758.35 [242.15] H 0.098890 (8)(10)
(l)* (2)(7)
A (ln u ) 20433.2 191.9 H O.J48d (0.08185) (0.00062) (J.8) (2.5584) A~X, R 20396.0 H
(9)
x lE+ g 0 [264.55] z l.025e H 0.108743 0.000614 7.16 2.2197
Cs01 (1) Herm, Herschbach, JCP 2.£, 5783 (1970). cu 2 1 aThermochemical value (mass-spectrom.)(J)(4)(6), re-
(2) Lindsay, Herschbach, Kwiram, JCP 60, Jl5 (1974). calculated (12).
bExperimental value by (11), quoted in an ab initio study
CsXe1 (1) Herman, Herman, JQSRT ~' 487 (1964). of cu 2 and cu 2 + by (lJ). No details.
( 2) Hedges, Drummond, Gallagher, PR A Q, 1519 (1972). cw y = -0. 02.
( J) Tam, Moe, Park, Happer, PRL ]2, 85 (1975). d e e
w y = -0.018.
(4) Happer, Moe, Tam, PL A~' 405 (1975). e e e
w ye= +0.0008.
0
(5) Sayer, Ferray, Lozingot, Berlande, JP B 2, L29J
(1976). (1) Kleman, Lindkvist, AF~' JJJ (1954).
(2) Ruamps, CR~' 1489 (1954).
(J) Drowart, Honig, JCP .£2, 581 (1956); JPC 61, 980
(1957).
(4) Schissel, JCP 26, 1276 (1957).
(5) Ruamps, AP(Paris) ~' 1111 (1959).
(6) Ackerman, Stafford, Drowart, JCP ]], 1784 (1960).
(7) ~slund, Barrow, Richards, Travis, AF JQ, 171 (1965).
(8) Pesic, Weniger, CR B ~' 46 (1971).
(9) Pesic, Weniger, CR B ~' 602 (1971).
(10) Rao, Lakshman, JQSRT 11, 1157 (1971).
(11) Cabaud, Ph.D. Thesis (U. Claude Bernard, Lyon, 1972).
(12) Smoes, Mandy, Vander Auwera-Mahieu, Drowart, BSCB 81,
45 (1972).
(lJ) Joyes, Leleyter, JP B 2, 150 (197J).

199
 200
State T
e we we x e Be ae De re Observed Transitions References
(lo-8 cm-1 ) (~) Design.
l voo

c~~>cu 21Al (µ = 18.8846172) 0

Do = 2.2 1 eV
a
DEC 1974

l' 3>Cu 75As (µ = 34.2019940) DEC 1974

Sequences of mostly V shaded bands in thermal emission at 13529, 13531, 14134, 14633, 14684,
(1)
14811 cm- 1 • w•< w".

63C u. 2.09 Bi µ = 48.3654568 DEC 1974

B x 2 +19708.6 197.4 H 0.62 a B_,,.X , R 19708.0 H (l)* (2)
a 2
A 15922.0 196.9 H o.85 A-+X , VR 15920.6 H (1)(2)
1
X2 x2 198.6 H 0.55
x b 0 199.6 H o.66 a
1

'3Cu.798r µ = 35.0114277 0
D0 = 3.4 eVa
3
NOV 1975
D (lL:+) 25538.6 281.9 H 1.35 D_,,.X, R 25522.1 H (.3)*
c lE+ (O+) 23460.9 294.7b z 1.06 0.0942b 0.00041 J 2.261 C~X, R 23450.9 z (1) (4)*
B ( ln) 23044.7 284.22 H 1.)2 B.(:--4 X, c R 23029.3 H (1)
A (lll) 20498.5 296.13 H 1.01 A~X, c R 20489.2 H (1)
x lE+ f
0 314.Sb z 0.96 0.10192625 o.ooo45214d 4.2737e 2.173441 Microwave sp. (5)
CuAls aThermochemical value (mass-spectrom.)(1)(2).
(1) Blue, Gingerich, 16th Annual Conference on Mass
Spectrometry and Allied Topics, Pittsburgh (May
1968); paper 129.
(2) Uy, Drowart, TFS 21_, 129) (1971).
CuAss (1) Lefebvre, Houdart, CR B ~' 178 (1972).
CuBis aFor rotational constants derived from incompletely
resolved rotational structure in the 0-0 bands see
(2). Uncertain.
bit is not known whether x1 is the ground state, nor
is it clear whether or not x1 and x2 are identical.
(1) Lefebvre, Houdart, CR B _g_z_Q, 1485 (1970); ~'
1)01 (1971).
(2) Lefebvre, Bocquet, Houdart, RPA ~' 149 (197J).
CuBrs aThermochemical value (2).
bVibrational and rotational constants derived from data
for the C- X system of 6 3cu 81 Br [Tables II and III of
( 4)] using µi/µ = 1. 01108.
cThese bands appear to have R and Q heads (J).
d + 6 • 78 x 10-7 ( v+~ ) 2 - 1. 0 x 10 -9 ( v+~) J.
e/3e= -0.00187x 10-8 1 H = -5.074x lo- 1 5.
f e
From the corrected Be= 0.1019274.
(1) Ritschl, ZP 42, 172 (1927).
(2) Brewer, Lofgren, JACS .zg, JOJ8 (1950)".
(J) Rao, Apparao, PIASA 60, 57 (1964).
(4) Rao, Apparao, CJP 12,, 2805 (1967).
(5) Manson, De Lucia, Gordy, JCP .2.J, 2724 (1975).
201
 202
State Te w we xe Be ae De re Observed Transitions References
e
(l0-7cm- 1 ) (i.)
r Design. I voo

'1S(u 35(1 µ = 22.7279945 n0O= 3.93 eV a DEC 1975

F
1 n (1) 25285.30 384.94 z 1.65 0.1607 0.00091 1.2 2.148 F+---i> X, R 25270.11 z (2)(4)(5)*
(7)* (11)
E
1 E+(O+) 23074.24 403.30 z l.62b 0.1663 0.00108 1.0 2.112 E+-+X, R 23068.23 z (1)(3)(4)(5)
(9)* (11)
D
1 n (1) 22969.74 392.89 z 1.745 0.1677 C 0.00099 2.'1026 D~X, R 22958.50 z (1) (4) (5)
7 ( 9 ) * ( 11 ) ( 15
c 1E+(O+) 20630.94 396.93 z l.48d 0.1691 9 0.00089 1.2 2.094 c~x, R 20621.78 z (1) (4) (5) (6)
(8)*
B
1n (1) 20484.08 399.29 z l.61d 0.1684:f'e 0.00092 1.2 2.099 B.,,.._,.X, R 20476.07 z (1)(4)(5)(6)
(8)*
A
1n (1) 19001.4 407.0 H 1.70 A.,,_. X, 18997.2
R H (1)(5)*
AI (lE+) (13440) (510)g (A I -+ X)' v 13479.5 H (13)
x lE+ 0 415.29° z 1.58 o.17628802h 0. 00099647 i 1.27060 j 2.05118Jk Microwave sp. (14)
J_ J.
f>3(u'9F µ = 14.5928363 ni = 4.4 2 eva AUG 197.5
c ln 20258.47 645.07 HQ 4.19 [o.3746]b (5.1) [1. 7561] c~x, 20269.62 z
R (1)(2)*
B lE+ 19717.5 657.0 c 3.92 0.3716 o.0032d (4.8) 1. 7632 B~X, R 197)4.66 z (1)(2)*
A ln 17543.4 649.2 9 HQ 4.00 [O.J675l [1.773 0] A+-+X , R 17556.7 HQ (1)(2)
x lE+ 0 622.65 HQ 3.95 0.3794029 o.003229sg 5.63 1.744930 Microwave sp.h (5)(6)
1
<'3>cu<'9>Ga (µ = 32.8956268) DEC 1974
A 15276.7 151.l H 2.28 A~X, R 15240.8 H ( 1)-
x 0 222.0 H 0.55
I
C'3>(u.C11t-)Ge (µ = 33.9919863) D00 = 2.0 9 eva DEC 1974
CuCl.: aThermochemical value (mass-spectrom.)(10)(12). CuF: aThermochemical value (mass-spectrom.)(4). See also (3).
bw e y e = -0. 009 (recalculated for v 6 4) • bA-type doubling 6.v ef = +o. 0010 J( J+l).
3
CA-type doubling lwef(v=2) = -0.0011 1 J(J+l). cFrom bandheads, taking into account head-origin
dFrom the value for the 3cu35c! isotope [see (6)]. separations.
eConsistent with constants for 6 3cu35c! in (6). dSlight modification of the analysis of the 1-1 band in
f.L\.-type doubling 6.v ef(v=O) = -0. 0008 J( J+l). ( 2).
7
gPreliminary data. e0-0 sequence only. Constants recalculated assuming that
hFor constants of 6 3cu35c1, 6 3cu37ct, 6 5cu37cl see (14). the lower state is X lL+.
i + l.96 x lo- 6 (v+i) 2 - 2x lo- 9 (v+!)J. fFrom a partial rotational analysis, assuming that the
4
jfi = -o.0007 6 x 10-7; H = -2.007x io-14 . lower state is X lL+.
k e e 1
From the corrected Be= 0.1762895 cm- [see (14)]. gt = +0.0000123.
h e
(1) Ritschl, ZP 42, 172 (1927). µel.(v=O) = 5.7 D. Values for eqQ(Cu) in (5), magnetic
7
constants from Zeeman effect measurements in (6).
(2) Bloomenthal, PR 2±, 497 (1938).
(J) Sinha, CS 1.Z, 208 (1948). (1) See ref. (1) of CuCL.
(4) Asundi, Rao, Brody, Nature 12..f, 444 (1961). (2) Woods, PR 64, 259 (1943).
(5) Rao, Brody, JCP J.2, 776 (1961). (3) Kent, McDonald, Margrave, JPC 1Q, 874 (1966).
(6) Lagerqvist, Lazarova-Girsamof, Naturw. 48, 68 (1961), (4) Hildenbrand, JCP 48, 2457 (1968).
AF 20, 543 (1962). (5) Hoeft, Lovas, Tiemann, Tarring, ZN~ a, 35 (1970).
(7) Rao, Asundi, Brody, CJP 40, 412 (1962). (6) Honerjager,. Tischer, ZN ~.a, 1919 (1974).
(8) Rao, Asundi, Brody, CJP 40, 42J (1962).
(9) Rao, Brody, Asundi, CJP 40, 1443 (1962). CuGa: (1) Biron, CR B ..£11, 1096 (1970).
(10) Hildenbrand, JCP _ig, 5751 (1970). CuGe1 aThermochemical value (mass-spectrom.)(l).
(11) Puri, Mohan, IJPAP ~' 759 (1970); CS~' 340 (1974). (1) Kant, Strauss, JCP ~' 3579 (1968).
(12) Guido, Gigli, Balducci, JCP ..22, 3731 (1972).
(13) Rao, Rao, SpL 1, 46J (1974).
(14) Manson, De Lucia, Gordy, JCP 62, 1040 (1975).
(15) Ahmed, Barrow, JP B ~' L362 (1975).

203
 204
State Te w
e we x e Be «e D re Observed Transitions References
I
e
(lo- 4 crn- 1 ) (.R) Design. voo

63(u1H µ = 0.99193919 D00 = 2.7 eVa JAN 1975

3
D ln (44669) [1804.o] z (55) 7.72b O.Jl 4.76C 1.484 Df- X, R 44651.2 z (2)*
d Jn r (41000)de [176o]e [7.8]e [lO]e [1.48] 4092ofe (10)
lE+ 574g z h J.09 g h J.8h E.- X, R J8626g (10)
E 39299 - J.6 - 0.036 2.J44
b l:i.2 (28470) [(1475)]i [(6.7)Ji [ ( 1. 59) J b+- x, R (28250)i (9)
e (3rr 2 ) 2 [> 6. 22Jj [<.1.65] >27953fj (9)
c 1 (28161) [1388.7] z (85) 6.43k o.42 1.626 c~x, R 27957.5 z (J) (4) (9)
c 1 27270.4 1627.J z 86.o.t 6.553m o.352n [4.76]n 1.6104 c-x, R 27101. J z (J) (4) (9)*
a (JE+) [(5.9)] 0 (26365)fo (4)(9)
B 3rro+ 26420.9 1669.7P z 51.2 6.582 o.290P [4.05]P 1.6069 B.- X, R 26281.7 z (1)(4)(9)
A lr;+ 23434.2 1698.4 z 44.oq 6.874r 0.26Jq 4.35sq 1. 5724 A.,..._. X, R 2JJ11. l z (1)(4)(8)(9)
x lr;+ 0 1941.26 z 37.51t 7.9441 o.2563t 5.2ot 1.46263

6-'Cu1H µ = 1.95163876 0
D0 = 2.76 eVa JAN 1975
c 1 b [J.1614]c b [0.7J]db [1.65295] c+- X, R 27989.11 z ( J)
c 1 27271.6 114J.5 z 29.9 [J.2589]e O.lJl [1.211]e 1.6119 c .... x, R 27148.59ez ( 3)
a Jr;+ (26490) [(1090)]f [3.2o]f 0.10 l.6Jo a..-x, R (26J46)f ( J)
B Jno+ 26381.8 1222.0 z J.5.7 J.Jl7g 0.086 [l.2]g 1.6137 B..._ X, R 26296.5 z (J)
A lr;+ 2)412.9 1210.9 z 19.50h J.521 o.096i [1.16]j 1. 5663 A+-+X, R 23326.1 z (1)(2)(J)
x lE+ 0 1)84.14 z 18.97 4.0J81 0.0917 [1. J62Jj_ 1.46255

cu 1H 1 aExtrapol. of A 1 r:+ to the limit Cu ( 2n 5 ) + H ( 2s) • Predis- cu 1H (continued)1

sociation in A lr;+ gives <2.89 eV, nke photom. (7) 2.86 eV.
bA-type doubling l:i.ver= +0.047 J(J+l), for J< 1.5.
cfoe = +0.6a x io-4.
dA R: +117.
eFrom perturbations in E 1 E+;vibr. numbering uncertain.
fT 0 , referring to X 1 E+(v=O).
gLowest observed level is v=J. Numerous perturbations
in v=4 ••• ll by three levels of d Jn •
h r -4
.weye= -0.27r te= -0.0048; foe= -0.08x 10 •
1
v=O,l interact with V=l,2, resp., of C 1. Deperturbed
.constants for v=l (e levels) are B= 6.36 4 , D= 7.6x
JFrom a perturbation in v=O of c 1. 4
j lo- •
cu 1 H (continued)1 Cu 2H1 aFrom the value for cu 1 H.
bA second level is observed at 2240.6 cm-l above v=O,
kDeperturbed constants; v=O interacts with il=2(v=O),
v=l with B Jn 0+(v=2). fl-type doubling 6vef(v=O) ~ but could equally well be C l(v=J). It is perturbed,
probably by b 6z(v=2). Approximate constants for the
+ 0.055 x J(J+l).
e levels are B = 2. 8 5, D = l.OxlO -4 •
,e6G(5/2) :::J llOO. {(v=O) ~ + 0.022 }
'Ilfl-type doubling 6v f (v=l) ~ + 0.060 x J(J+l) + •••
Cfl-type doubling 6V f = + 0.0166xJ(J+l) - •••
d 9 e
e (v=2) ~ + o.095(depert.) H0 = - 19.6 x 10- (average of e and f components).
~eperturbed constants; B2 = 5.47, BJ< 4.7. D0 refers to eConstants for e component. f component (B 0 = J.2558,
e levels, D1 ~ J.2 x lo- 1 ~, D2 = 6.8 x lo- .J.. Perturbations
1
D0 = l.270xlo- 4 , v 00 = 27152.SJ) appears to be per-
by levels of b 62• turbed by a lower lying o- level of smaller B value.
°From a perturbation in B Jn 0+(v=O). Very uncertain. v=l and 2 are perturbed by levels of a Jr;+ and b 6 2 •
p Deperturbed constants; B = 5. 8 J; D = 4 .95xl0 - 4 , D ~ fThe only observed transition is to v=l (deperturbed
2 1 2
7.8x10- 4 • Perturbations by levels of A 1 I:+, a(JI:+), cl. constants B = J.102, D = l.J6 x lo- 4 , v(l-0) =
qv=2, J, 4 perturbed by B Jn 0+(v=O, 1, 2). (Deperturbed) 274J5.7). Evidence for additional levels comes from
constants for v=2, ••• , 6 are the observation of perturbations in B Jn 0+ and C 1.
B = 6.199, 5.885, 5.540, 5.144, 4.576. 0~
Deperturbed constants; D1 = 1. 07 x 10 -4 , D 2 = 1.1 x
D:(10- 4 cm- 1 ) = 4.92, 5.22, 6.J, 7.J9, 8.8. lo- 4 • Perturbations by levels of a Jr;+.
6G(v+!) 1427.0, 1Jl9.7, 1166.8, 1020.5. hw y = - 0.570.
. e e
rPredissociation above v=O, J=O (5) caused by an unstable ~B 4 = J.0785, B~ = 2.96JJ, B6(depert.) = 2.8J.
Jr:+ state from Cu, 2s + H, 2s. See also ( 6). JD 1 , ••• , D (10- cm- 1 ) = 1.16, 1.18, 1.28, l.J5, 1.44.
SA -4 5
'"e =
+ o. 22 x 10 • kH = + 2.8x10-9; D1 = l.J54x10-4, H1 = J.Jxlo-9:
0
tFrom a combination of RingstrBm's data for v=O, 1, 2 and D2 = 1. J 1 x 10-4 ; DJ = 1. 2 9 x 1 o-4 •
Heimer's data for v=J, 4. weye = + 0.06 , fe = + 0.0015, (1) Jeppesen, PR ..2.Q, 445 (19J6).
A -4 7
'"'e = - 0. 07 J x 10 • (2) See ref. (4) of cu 1 H.
(1) Heimer, Heimer, ZP 84, 222 (19JJ) (J) See ref. (9) of cu 1 H.
(2) GrundstrBm, ZP ..2§., 128 (19J5).
(J) Heimer, ZP .2j_, J21 (19J5).
(4) Heimer, Dissertation (Stockholm, 19J7).
(5) Herzberg, Mundie, JCP ~' 26J (1940).
(6) Kleman, AF Q, 17 (195J).
(7) Bulewicz, Sugden, TFS ..2,g, 1475 (1956).
(8) Loginov, OS(Engl. Transl.) 16, 220 (1964).
(9) RingstrBm, AF J,,g, 211 (1966).
(10) RingstrBm, CJP 46, 2291 (1968).
205
 206
State Te w wexe Be ae De re Observed Transitions References
e
(lo- 8cm-1 ) (i) Design. l voo
<f> 3>Cu' H+ 2 JAN 1975
Fragments of a band system in the region 34500 - 45500 cm-1 • Lower
state constants were reported in (1), but information is incomplete. (1)

63cu121 1 µ = 42.0685643 D00 < 3.27 eVa AUG 1975 A

E lz+ (O+) 24001.4 229.40 z 0.95 o.065sb 0.00036 (2.2) 2.468 E .it:-+ X, R 23983.80 z (1)(2)(5)
(6)* (8)*
b
D ln (1) 22957.5 212.8 H 0.92 D+-+ X, R 22931.6 H (1) (2)(8)*
c lI:+ (O+) 21867.3 229.7 H 0.53 [o.0681]b [2.426] c~x, R 21849.94 z (1)(2)(6)
(8)*
c
A ln (1) 197)4.2 213.3 H 2.22 0.06761 d 0.00042 (2.7) 2.435 AtE-+X, R 19708.2 H (1)(2)(10)*
e 2.2439f
x lI:+ 0 264.5 z 0.60 0.07328742 0.000283903 l 2.338324 Microwave sp.g (11)

<'3>cu<7>Li {µ = 6.3122532) D0o = 1.9 8 eV a APR 1975

3
'' >Cu 23 Na (µ = 16.8383099) D0O= 1.7 9 eV a JAN 1975

c" 3>Cucss1Ni (µ = J0.1646396) D00 = 2.1 0 eV a JAN 1975

CuH+, (1) Mahanti, Nature 1£.Z, 557 (19Jl). CuLi1 8Thermochemical value (mass-spectrom.)(l).

Cul& 8Thermochemical value (J). (1) Neubert, Zmbov, JCS FT I 1Q, 2219 (1974).
bRotational analyses of C- X and E- X by (6); analyses
CuNa1 ~hermochemical value (mass-spectrom.)(l).
of C- X, D- X, E - X by ( 8) and of D- X by ( 7) are
erroneous or doubtful. See also (9). (1) Piacente, Gingerich, ZN 28 a, Jl6 (197J).
cBands previously assigned to a B- X system are now
CuNi1 ~hermochemical value (mass-spectrom.)(l).
known to be due to cu2 (4).
dRecalculated from (10). (1) Kant, Strauss, Lin, JCP 2£, 2J84 (1970).
0
+ J.12x lo-7(v+i) 2 - l.Jx lo-9 (v+i)J.
fH 0 = - 2.288 x io-1 5.
gAlso value for eqQ( 12 7r).
(1) Mulliken, PR 26, l (1925)•
(2) See ref. (1) of CuBr.
(J) Brewer, Lofgren, JACS 1£, JOJ8 (1950).
(4) See ref. (1) of cu 2 •
(5) Nair, Upadhya, Nature 211, 1170 (1966).
(6) Nair, Upadhya, CJP 44, 1267 (1966).
(7) Nair, Upadhya, CS J..l, 59) (1966).
(8) Rao, Apparao, CJP 44, 2241, 2247 (1966).
(9) Nair, Rai, CJP ~' 2810 (1967).
(10) Pandey, Upadhya, Mohanty, !JP 42, 154 (1968).
(11) Manson, De Lucia, Gordy, JCP 62, 4796 (1975).
(12) Wu, Dows, JMS ..2§., J84 (1975)

207
 208
State Te w
e
w x
e e Be «e D
e re Observed Transitions References
(lo-7cm- 1 ) (.i) Design. 1 voo

63Cu160 µ .. 12.75337037 D00 = 2.7 9 eva AUG 1975 A

Unidentified transitions in matrix absorption (F-4.- X?) and fluorescence. (5)(9)
p 2 (.574]b [O.J84]b 0.005 P-tX 1 , 25194b (12)
nJ/2 [l.855Jb R

M
2 [o.419]c [l.776]C M+-+ Xl' R 2J898c z (J)(8)(10)
nJ/2
2 [6o8]d [o.416]d [1.783Jd 22449d {12)
I nJ/2 0.0046 r~x
1 , R

H
2 [5.57]d [0.4176]d 0.0056 [l.7791Jd H-+Xl' R 22J26d (12)
nJ/2
f
G 21:(-) (i) 21618.6 [582.74] z (4.o) o.41481e 0.00370 7.24 1. 78509 G,x2'f R 21Jl6.94~Z (11)*
xl' 21593.98 z
2n. 21237h z (4.4) o.4121i 0.0038 8 R 21082.8j z (4)* (8)
F 1
[600.8] 1.7910 F-+X,
(10)* (11)
2 210,58.0 HQ 5.5 o.4445k 0.0036 1.7244 E-+X 1 , 21104.1 HQ (12)
E 65/2 733
Bands in the green region, partially analysed 2 2
(lJ) in terms of a ni -*X ni transition. (4 )* ( l 3) *
2E{+) [631.02] z (6.0) o.433871. 0.00475 7.93 1.74543
x R 16215.J3g z
A+-+x2, (4)* (7)*
A 16491.3 16492.J7gZ (8)(10)*
l,
Xz 2 1/2 279.02m 636.18 z 4.36 o.4441.5n 0.00449 8.4 1. 72513 0
xl n J/2 0 640.17 z 4.4) o.44454 0.00456 8.5 1.72437
CuOs 8Thermochemical value (mass-spectrom.)(1)(6). Guo (continued)s
bLowest observed level and 6G, vibrational numbering (1) R. P. Burns, quoted in (2).
unknown. The observed transitions are v-3 at 23327 (2) Cheetham, Barrow, AdHTC 1, 7 (1967).
cm- 1 , v-4 and (v+l)-4.
(J) Lagerqvist, Uhler, ZN 22 b, 551 (1967).
cone level only. Vibrational numbering uncertain; the
(4) Antic-Jovanovic, Pesic, Gaydon, PRS A JQZ, 399
authors in (4) suggest v=l. Perturbations.
(1968).
dThese are values of 6G ( f), B1 , r 1 , v ( 1-0). v=O not observed.
(5) Shirk, Bass, JCP ..,2g,, 1894 (1970).
es pm· d ou bl'mg 6v {(v=O) = + 0.1674} (6) Smoes, Mandy, Vander Auwera-Mahieu, Drowart,
12 (v=l) = + 0 • 1743 x N(N+l) + •••
fG ~ X is . considerably
. weaker than G-+ x2 • Relative BSCB 81, 45 (1972).
1
branch intensities in both sub-bands are unusual. (7) Antic-Jovanovic, Pesic, JP B Q, 2473 (1973).
gN'=O relative to {J"=O}. (8) Appel~lad, Lagerqvist, JMS 48, 607 (1973).
h
_A 0 = - 6.24, A1 : - 31.87. Also J-dependent terms (10). (9) Thompson, Easley, Knight, JPC JJ.., 49 (1973).
1.-v=O perturbed • .1\.-type doubling in v=l s (10) Appelblad, Lagerqvist, PS 10, JO? (1974).
2 (11) Appelblad, Lagerqvist, CJP jJ, 2221 (1975).
nl/2' 6vfe = (-)[o.319o(J+t) - ••• ],
2 (12) O. Appelblad, A. Lagerqvist, USIP Annual Report
n312 , /ivfe = (-)[2.74x 10-5(J-!)(J+t)(J+3/2) - ••• ].
1974 (May-75), and private communication.
jJ'=t relative to J"=t (average of {F 1 } and F 2 ).
(13) Lefebvre, Pinchemel, Bacis, CJP 2:!:, 735 (1976).
kv=O strongly perturbed.
!Spin-doubling constants ro = - 0.1952, ll = - 0.1908.
mA 0 = - 276.11, A1 = - 272.28, A2 = - 268.69; also J-
dependent terms (10).
nA-type doubling in 2 n , 6vfe (-)[o.014 8 (J+t) - ••• ]
112
(average of v=O, 1, 2).
0
The absence of an ESR spectrum attributable to matrix
isolated CuO is compatible with a 2n ground state (9).

209
 210
State Te w wexe Be «e De re Observed Transitions References
e
(10- 8cm-1 ) (i) Design. l voo

C63>cu(32.>s (µ = 21. 2007816) n0o = 2. 8 0 ev a SEP 1976 A

HQ
A 2E(+) 17946.1 J75.2b HQ J.66 [0.1806] 0
[18] [2.099] A-+X, R 1749).1 HQ (1)(4)
17925.7
2 4JJ.4 41J.4 HQ 1.65
x n(i) 0 415.0 HQ [0.1891] [18] [2.051]
1.75
3
' Cu 121 Sb µ = 41. J876229 JAN 1975
Additional sequences of R shaded bands in thermal emission at 1J014, 1J84J, 14476, 1542J,
(l)*
15825, 16482 cm-1.
A 18511. 7 222.71 H o.86 A,X, R 18505.6 H (1)
xa 0 234.83 H 0.73

'scu.aose µ. = Js.206516 8 D00 = 2.5 5 eVa SEP 1976

A 2I:(+) 17960.4 253.0 H 2.74 [o.10169]b [7.o] [2.1699] A-+X, R 16J44.J7 z (l)* (J)*
179J5.J2 z
x 2n. 1590.9 H 0.99 to.10775r [5.9] [2.1081]
l. 0 J02.J7 0.10774

(6?.>cu.c11o>sn (µ = 41. 2696087) n 00 = 1. 8 0 ev a JAN 1975

'~Cu 130 Te µ = 42.J9J2951 n00 = 2.35 ev a OCT 1975

Fragments of an additional system in the region 17200 - 18200 cm-1 • (B-+X) (J)
b
A 15991.92 200.58 H 2.009 0.06730 0.00052 J.41° 2.431 A-+- {X), R 15965.55 H (l)* (J)*
(X) b 0 252.67 H 0.701 0.07205 0.00028 2.65d 2.349
cuss 8Thermochemical value (mass-spectrom.)(2)(J)(5). CuSe1 aThermochemical value (mass-spectrom.)(2).
bAverage of Biron's (1) constants for the upper states bSpin-splitting constant Oo = - 0.0022.
of his systems A and B. CA-type doubling, Avfe(v=O) = (-)[0.0284(J+i) - ••• ].
cSpin-splitting constant fo = - O.OJ60. (1) Joshi, JMS ~' 79 (1962).
(1) Biron, CR~' 4228 (1964). (2) See ref. (6) of Cuo.
(2) Drowart, Pattoret, Smoes, PBCS No. 8, 67 (1967). (J) Lefebvre, Bocquet, CJP ,2t, 1664 (1976).
(J) Uy, Drowart, TFS§:/_, 129J (1971).
(4) Biron, CR B ~' 978 (1972)1 281, 401 (1975). CUSna aThermochemical value (mass-spectrom.)(l).
(5) See ref. (6) of CuO. (1) Ackerman, Drowart, Stafford, Verhaegen, JCP .l.9,,
1557 (1962).
CUSba ~ot certain that this is the ground state.
(1) Lefebvre, Hou4art, CR B _gzJ,, 662 (1971). CuTea aThermochemical value (mass-spectrom.)(2).
bn, = 1111 •
cf.,, = + 0 .14 x 10-8 •
d e -8
fie=+ O.Olx 10 •
(1) Maheshwari, Sharma, PPS 81, 898 (196J).
(2) See ref. (6) of cuo.
(J) Lefebvre, Bocquet, JP B ~' 1J22 (1975).

211
 212
State Te w wx Be ae De re Observed Transitions References
e e e
{10- cm- 1 ) (i) Design. I voo

(101t>Dy 19F (µ = 17.0252779) 0

D0 = 5.46 eVa JAN 1975

(tf»lf.> Dy 160 (µ = 14.57299734) D00 = 6.2 eVa

5
JAN 1975 A
Large number of mostly R shaded emission bands, 15900 - 19600 and 20800 - 23500 cm- 1 • Ten- (1) (2)* (J)
tative vibrational analysis by (l); uncertain.

<t66>Er 19F (µ = 17.0466290) 0

D0 = 5.8 3 eVa JAN 1975

(16E»Er 16Q (µ = 14.58863787) 0

Do = 6.30 eVa JAN 1975 A
V and R shaded emission bands in the regions 17200 - 18500 and 19200 - 20400 cm -1 (l)* (2)

c1s3>Eu 19F (µ = 16.8989393) D00 = 5.4 2 eva OCT 1975

Emission in the region 14000 - 33000 cm -l, maximum at 26000 cm -1 • (2)

c1s3>Eu'o0 (µ = 14.48033356) D00 = 4.8 0 eva OCT 1975 A

Emission spectrum from 14000 to 25000 cm- 1 • (l)* (5)(6)
x 0 [668.o]b
l I l IR abs. sp. b (4)

(IS3>Eu(31>5 (µ = 26.4434070) 0
DO = 3.71 eva JAN 1975

usa>Eu<so>se (µ = 52.4869094) 0
Do = 3.08 eVa JAN 1975

c1sa>Eu(13o>re (µ = 70.238662) 0
Do = 2.45 eVa JAN 1975
DyF1 aThermochemical value (mass-spectrom.)(l).
(1) Zmbov, Margrave, JPC lQ, 3379 (1966).
Dy01 ~hermochemical value (mass-spectrom.)(4), recalc.(5).
(1) Piccardi, SA 1, 533 (1941).
(2) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
(3) Mavrodineanu, Boiteux, "Flame Spectroscopy",
Wiley (1965).
(4) Ames, Walsh, White, JPC .z1, 2707 (1967).
(5) Smoes, Coppens, Bergman, Drowart, TFS 2...2, 682
(1969).
ErF1 ~hermochemical value (mass~spectrom.)(l).
(1) See ref. (1) of DyF.
Er01 ~hermochemical value (mass-spectrom.)(3), recalc.(4).
(1) See ref. (2) of DyO.
(2) Herrmann, Alkemade, "Chemical Analysis by Flame
Photometry", Wiley-Interscience (1963).
(3) See ref. (4) of DyO.
(4) See ref. (5) of DyO.
EuF1 aThermochemical value (mass-spectrom.)(l). From the
short-wavelength cutoff of the chemiluminescence
spectrum (2) obtain Di~ 5.62 eV.
(1) Zmbov, Margrave, JING £2., 59 (1967).
(2) Dickson, Zare, CP 1, 361 (1975).
Eu01 aThermochemical value (mass-spectrom.)(7). Considerably
higher values (5.7 2 eV) in (2)(3)(6).
bin Ar matrix at 15 K. For Eu 18 o at 633.7 cm- 1 • Derived
constants are we= 671. 8 , wexe = 1.9 (4).
(1) See ref. (2) of DyO.
(2) See ref. (4) of DyO.
(3) See ref. (5) of DyO.
(4) Gabelnick, Reedy, Chasanov, JCP 60, 1167 (1974).
(5) Edelstein, Eckstrom, Perry, Benson, JCP 61, 4932
(1974).
(6) See ref. (2) of EuF.
(7) Hildenbrand, Murad, ZN JQ a, 1087 (1975).
EuS1 aThermochemical value (mass-spectrom.)(l), recalc.(2).
(1) See ref. (5) of DyO.
(2) Bergman, Coppens, Drowart, Smoes, TFS 66, 800 (1970).
EuSe1 aThermochemical value (mass-spectrom.)(2). Based on
n 00 (se 2 ) = J.411 eV; (1) prefer D00 (Se 2 ) = J.l 64 eV.
(1) Barrow, Chandler, Meyer, PTRSL A 260, 395 (1966).
( 2) See ref. (2) of EuS.
EuTe: aThermochemical value (mass-spectrom.)(l).
(1) See ref. (2) of EuS.
213
 214
State Te w Observed Transitions References
e
Design. I v 00

'9F2 µ = 9.4992023 I.P. = 15.686 evb JUL 1976 A

Many strong absorption bands observed and partially analyzed up to 126000 cm-1 , heavily per-
{19)*
turbed and not assigned.c
K
1n [l.040]d [1. 306] K~ X, v 1168550 72 z {16)(19)*
u e
J ln
u (4p6') 116409 [1032.6] z [l.041] [1.306] v 116469.4 z (19)*
I 1 t+ (4p'lr) 11J841 [1108.92] z f
[0.8009] g
[1.4886] I-+ f, R 17081.6i H (7)* (8)(19)
u
I-+ F, R 207 J2 j H {7)* (8)(19)
I~ X, k R 113940.24 Z (14)(16)(19)*
(Jp6') 105520.14 1088.19 Z 9.875 1.021 l 0.014 l.Jl8 H+- X, V 105606.27 Z (16)(19)
( Jp6') ( 104904) ( llOO)m l.022n o. 016 1. Jl8 h~ X, V 104998. 7 Z (19)
(Jp~)(l04JOO) Inferred from strong perturbations of the higher vibrational levels of C 1 t~. (19)
~100912 [196.3] 0
z (0.96) [0.194] 0 [3.02] 0
E~X, R100555. o Z (19)*
5
0 0 0
[221.6] z (1.22) [0.207] [2.93] D~ X, R 98411. o Z
9
(19)*
p
[l.005]P [1.329]P
[493.2]q z [0.484]q [l.9l5]q c~x, (19)*
11JJ.J4r H l.047r 0.012 1.302
Continuous absorption with maximum at 35000 cm- 1 • A+- X, (4)(5)
Continuous absorption with maximum at 25500 cm- 1 • a~ X, s (4) (5)

0 916.64 z ll.236t 0.89019 o.013847u 1.41193 Raman sp. (2)(9)(18)

(20)
Mol. beam magn. reson.v (6)
Ab initio calc. (lJ)
F2 1 ~rom the observed vibrational levels of the ground state
(19); the highest observed level (presumably the last stable
level) is at 12830.38 cm- 1 • Shock tube experiments of (15)
give the same value within ±0.05 eV; see also the earlier
work of (J)(5a)(lO).
bFrom photoionization (12). Photoelectron spectra (11) give
15.70 eV.
cThe assignments to two Rydberg series by (16) are questioned
by (19).
dBQ; BPR = 1.034.
eB 2 = 0.9916.
f6G(3/2) = 754.06, 6G(5/2) = 553.78, M(7/2) = 733.0l; strongly
perturbed, not certain whether one or two electronic states
are involved.
gB 1 = 0.8129, B 2 = 0.8980, B = 0.8946, B4 = o.891; see f
3
~Dv(v=l ••• 4, lo-6cm-l) = 4.o, 14.o, -2.6, -50.o.
1
The lower state vibrational numbering of this ,band is un-
known, see P.
jv" uncertain, see r.
kFour of the strongest absorption bands; in emission only
bands with v=O and 1 and very weakly v=2.
.£.From Q branches, BQ - BPR ~ +o.oo4. v'=0,1,2,3 analyzed, a
weak and h_ighly perturbed band at 911 .R (109770 cm- 1 may be
4-o.
mEstimated from the 0-0 and 2-0 (v 0 = 107069.4) bands.
11<'rom Q branches; BQ- BPR = +0.005. v=O strongly perturbed.
0
(Deperturbed) constants determined from the lowest observed
levels; vibrational numbering unknown. Only those levels
which interact strongly with C 1 ~~ have been found in absorp-
tion. It is possible that D and E are not two independent
states.
l7rom I~ f (7); vibrational numbering unknown. The assign-
ments of (8) suggest the existence of additional levels at
1058 below and 1044 cm- 1 above the single level reported
by ( 7).
qConstants for the lowest observed level, vibrational num-
bering unknown (v=n). In absorp~ion levels up to v = n+30
have been observed. Numerous perturbations by levels of D
and E (interaction matrix elements~ 10 cm- 1 ); a much
stronger interaction with G affects levels having v ~ n+25.
For details see Table 5 of (19).
rVibrational numbering uncertain. Extensive perturbations.
Strong predissociation leading to line broadening in I~F
bands having v" = 1,2,4,5,6,8; bands with v" = J,7 are
sharp.
sThe existence of the a~x absorption becomes clear only
after subtraction of the much stronger effect of the A~X
absorption from the observed absorption intensities (5). It
is generally assumed that the 3n 0+u state has a minimum but
no discrete absorption or emission has been observed, see
(1). (17) predict a dissociation energy De= 3300 cm-land
re = 1.9 .R for this state.
tweye = - 0.113. These constants represent only the lowest
nine levels (i.e. v~8) (19). Levels have been observed up
to v=22; this last level lies only 90 cm- 1 below the extra-
polated limit.
u + o. 0001179(v+i) 2 - o. 000020 (v+t) 3, representing B0 ••• B12 •
3
vRotational gyromagnetic ratio gJ = - 0.1208 µN' (nuclear)
spin-rotation and spin-spin interaction constants c =
- 157.J kHz, d = 8.o kHz.
References on page 217 •
215
 216
State Te w we xe Be «e De re Observed Transitions References
e
(10- cm-1 ) (i) Design.
l voo

19F
2.
+ Do0 = J.33 9 eV
a
JUL 1976 A
Ab initio calculations ( J) predict several further stable states. Ground state calc. (7).
B (2E+)
g (4JOOO) From the photoelectron spectrum; uncertain observation. (4)
A
2 (2275~) b b A~X, c 22139
R 22208.8b (2)
nu,i 2248 .8 .520.4b 7.30 H
2 J40d
x ng,i 0 l073.3b H 9.13b l.Ol5e 0.010 1.322

J9F - 0
2 Do = 1.28 eVa I.P. = 3.08 evb JUL 1976
F (120490) 1210c 60 (4)
E ( 2n ) (115.300} l050C (4)
g
2r;+ d
x u 0 (510)d (0.50)d (1.88)

8From ng
(F 2 ), I.P.(F 2 ), and I.P.(F). F 2+ (continued)c
bFrom the R heads in the J/2-J/2 sub-system. The (arbi-
(1) Stricker, ZN 21 a, 1518 (1966).
trary) lower state vibrational numbering of (2) has been (2) See ref. (7) of F 2 •
reduced by 5 leading to better agreement with the exci-
(J) Balint-Kurti, MP 22, 681 (1971).
tation energy of 2.70 eV (21800 cm- 1 ) and the ground state (4) See ref. (11) of F 2 •
vibrational frequency found by photoelectron spectroscopy (5) Potts, Price, TFS .21, 1242 (1971).
(4)(5); see also (6). (6) See ref. (16) of F 2 •
cBands attributed to this system by (1) are probably all
(7) Ellis, Banyard, Tait, Dixon, JP B Q, L2JJ (197J).
due to F 2 (I~ F) , see ( 2) •
dFrom the photoelectron spectrum (4). At slightly lower
resolution (.5) find 240 cm- 1 •
eRevised vibrational numbering, see b
p -, 8From n 0~F 2 ) and the electron affinities of F2 (J.08 eV)
2
and F (J.J99 eV).
bFrom endoergic charge transfer reactions (1).
cTwo progressions of resonances in the electron transmission.
current starting at 11.25 and 11.90 eV. They indicate the
existence of doubly excited (preionizing) states of F 2-
having the F 1 n and f 3n Rydberg states of F 2 as parent
2 g + g
states and X Ilg of F 2 as grandparent.
c'l.rheoretical values from MO-SCF calculations (2), De= 1.66
eV. Multiconfiguration valence bond calculations (J) give
we = 29J, wexe = 1, Be = o.425, re = 2.04 R, De = 1.06 eV.
See also (Ja)(matrix Raman sp.).
F 2 (continued)a F 2 (continued)c
(1) Nathans, JCP 18, 1122 (1950).
(2) Andrychuk, CJP .£2, 151 (1951).
(3) Barrow, Gaunt, PRS A £12,, 120 (1953).
(4) Steunenberg, Vogel, JAGS 1§., 901 (1956).
(5) Rees, JCP 26, 1567; 1:J..., 1424 (erratum) (1957).
(5a)Stamper, Barrow, TFS .2!±., 1592 (1958).
(6) Ozier, Crapo, Cederberg, Ramsey, PRL 1], 482 (1964).
(7) Porter, JCP 48, 2071 (1968).
(8) Stricker, Krauss, ZN .fl a, 486 (1968).
(9) Claassen, Selig, Shamir, AS .fl, 8 (1969).
(10) DeCorpo, Steiger, Franklin, Margrave, JCP 2.J., 936
(1970).
F 2 - (continued)a
(1) Chupka, Berkowitz, Gutman, JCP ...22, 2724 (1971).
(2) Gilbert, Wahl, JCP ...22, 5247 (1971).
(J) Copsey, Murrell, Stamper, MP 21, 193 (1971).
(Ja)Howard, Andrews, JACS 2.2, J045 (1973).
(4) Spence, PR A 10, 1045 (1974).
(11) Cornford, Frost, McDowell, Ragle, Stenhouse, JCP 2±.,
2651 (1971).
(12) Berkowitz, Chupka, Guyon, Holloway, Spohr, JCP .51,, 5165
(1971).
(13) Das, Wahl, JCP ..2.Q, 3532 (1972).
(14) Di Lonardo, Douglas, JCP ..2.Q, 5185 (1972).
(15) Blauer, Solomon, JCP .51_, J587 (1972).
(16) Gole, Margrave, JMS !±J., 65 (1972).
(17) Child, Bernstein, JCP 2.2, 5916 (197J).
(18) Stricker, Hochenbleicher, ZN 28 a, 27 (1973).
(19) Colbourn, Dagenais, Douglas~ Raymonda, CJP .2!±., 1J4J
(1976).
(20) Edwards, Good, Long, JCS FT II~' 984 (1976).
217
 218
State Te w we x e Observed Transitions References
e
Design. l v 00

csb)Fe 2 MAR 1976

c Continuous absorption with maximum at 24120 cm- 1 • c~x,b (2)
B (218)c B...,_ X, b (21095)d (2)
A (194) 0 A+- X, b (18355)d (2)
x 0

csb> f e<19>Br (µ = )2.7J40J62) MAR 1976

Very diffuse absorption feature at 40890 cm-1 • (.5)
Narrow group of absorption bandsa in the region 28100 - 28400 cm-1 • (5)
27064.9 H
Bands in the region 26600 - 27400 crn-1 ; w• 11:1 Jl.5, w" 11:$ 304, possibly 4 rr ~ 4 r:. V 27007.8 H (l)( 2 )(4)( 5 )
26935.1 H
26832.1 H
V and R shaded emission bands in the region 15400 - 17500 crn- 1 1 (2)(3)
tentative assignments to four systems.

(µ = 21.5170409) MAR 1976

Diffuse absorption bands in the region 41700 - 42700 crn- 1 • (10)
)1255.9 H
Fragments of a complex system1 6G'(i) = 416, 6G"(i) = 427. (C~ Xl), R )1243.2 H ( 1)( 2) (4 )( 6}
31221.2 H (9)
31180.8 H
29255.9 4J4.8 H 2.1 29269.5 H
29184 29197.2 H
29120 B X V 29133.5 H ( 2 )(J)( 7 )*
Xz + 29065 ......, 2' 29079.l H
29021 29034.6 H
28986 28999.7 H
28016 28024.7 H
27958 (427.8)a H (1.2) A~X V 27967.3 H (4)( 9 )
xl + 27922 l' 27931.4 H
27894 27903.2 H
 State Te w
e wexe Be ae De re Observed Transitions References
(10- cm- 1 ) (i) Design.
l voo
(5b) Fe 3sc1 (continued)
20549.J H
A' (4Il) Complex system in the region 20000 - 21000 cm- 1 ; w• = 370, w" = 395. (A•-x1 ), R
20484.5
20429.0
H
H (5)
20378.0 H
Fragments of an emission system; w• ~ 405, w" ~ 394. v 17379 (5)
Tentative assignments. of emission bands in the regions 16480 - 16720 v (16486) ( .3) (5)
and 15250 - 15750 cm -1 • VR ( 15443) (.3)(5)(8)
b
X2 (6E) X2 407.2 H 1.4
x b
x1 (4E) (409.9)a H (2.2)
l I
aThermochemical value (mass-spectrom.)(l). FeC!a aVibrational constants from (9). An earlier analysis (4)
bin Ar matrices at 10 K. of A-X 1 gave we' = 431.0, w~x~ = 2.9, w~' = 397.0, w;x~
cLong upper state progression. = 1.6.
dLowest observed level, vibrational numbering unknown. bit is not certain whether x 1 or x 2 ·is the ground state.
(1) Lin, Kant, JPC 1], 2450 (1969). (1) Mesnage, CR 201, 389 (1935).
(2) De Vore, Ewing, Franzen, Calder, CPL Ji, 78 (1975). (2) See ref. (1) of FeBr.
( 3) See ref. (2) of FeBr.
FeBra aResembling the B- x2 system of FeCL. (4) MUller, HPA 16, 3 (1943).
(1) Miescher, HPA 11, 463 (1938). (5) Reddy, Rao, JMS ~' 16 (1960).
(2) Mesnage, AP(Paris) 12, 5 (1939). (6) Rao, Rao, cs J§., 87 (1969).
(.3) Reddy, JSIR B 18, 188 (1959). (7) Rao, Rao, JP BJ, 878 (1970).
( 4) Rao, Rao, JP B J, 725 (1970). (8) Rao, Rao, Rao, CS J.2., 392 (1970).
(5) See ref. (3) of FeF. (9) Rao, Rao, IJPAP .2, 102 (1971).
(10) See ref. (.3) of FeF.

219
 220
State w Observed Transitions References
e
Design. 1 v 00

(SE»Fe'9F (µ = 14.181598J) FEB 1975

C x+(42743) ( 694) H ( 7) I I I C~(X), V 42751 H (J)*
Single sequence of bands near 32060 cm- 1 , in emission only. (R) ( 1)
Narrow group of bandsa, 30900 - 31200 cm-1, in em. and abs •• (V) (2)(3)*
Narrow group of bandsb near 30240 cm- 1 , in em. and abs •• (V) (2)(J)*
(X) x ( 678) H ( 7) l l l
<561 Fe 4->Ge
C7 (µ = 31.8412133) JAN 1975

C5f»Fe 1H (µ = 0.98998780) AUG 1975 A

(5f»Fe2H (µ = 1.94409920)
Complex abs. and em. spectra, 18500 - 19200 and 19900 - 21300 cm- 1 • No analysis. (2)* (J)
Additional band at 10100 cm-1. (4)
Theoretical calculations (1)(5) predict a 6 E+ or 6 ~ ground state.

(5olFe'60 I.P. JUN 1977

Single band, in emission and absorption. R 41480 H (8)* (9)(12)*
c 26441 [545] H I I I c-tAc, R 22326 H (1) (3) (19)
c' 23569 [535] H Fragments of an emission system, 18500 - 20000 cm-1. c'-+Ac, R 19449 H (19)
(1)(2)* (7)*
b 21962 (667] H [0.4717]d [1. 695] 17908 H (8)(9)(14)
(21865) [(661)] H 17808 H
(19)
820 [o.497]f ag4o--+Ac, R 17267 (1)(2)* {7)*
a 21245 H 1 H
(8)(9)(19)
Large number of emission bands, 7100-15000 cm-l;{B-+Ac, R 10340 H {5)(19)

l I l
B ( 5n) 14404 65oh H 5 tentative vibrational analyses. B-+-X, R 14245 H (J)(l9)(21)
A 5~+ i 880.53d z =
3948 4.63 0.51271 d 0.00376 [o.66] 1.6259 T
0 3905j
x 5~ i 0 965h H (1.57)k 1.

5 1
<' Fe''O- I.P. = 1.49 2 evn JUN 1977
x 0
l l (l.6J)k
FeF 1 asimilar in appearance to the B-X 2 system of FeCl. Feo, FeO- (continued)1
bsimilar in appearance to the A- x1 system of Feet. jFrom 0-0 band assignments for B4-X (21) and B~A (5) (19).
Additional bands at 29580 cm-l (2) suggest t.G"{!)~66o. From the FeO- photoelectron sp. (21) obtain 3990± 100 cm- 1 •
(1) Barrow, Carroll, unpublished, quoted in DONNSPEC. kEstimated (21) from relative vibrational intensities in the
(2) Senior, Barrow, unpublished, quoted in DONNSPEC. photoelectron spectrum of Feo-.
(3) Brinton, Callear, JCS FT II 1Q, 203 (1974). !The IR transition strength measured at 880 cm-l (16)(17)
requires re-interpretation in view of the recent re-assign-
FeGe1 aThermochemical value (mass-spectrom.)(l).
ment of the low-lying states (21).
(1) Kant, Strauss, JCP !±2,, 3579 (1968).
mFrom Dg(FeO) and the electron affinities of FeO and O.
Fe 1H, Fe 2H 1 nFrom the laser photoelectron spectrum of FeO- (21).
(1) Walker, Walker, Kelly, JCP 51_, 2094 (1972). (1) Rosen, Nature 12£, 570 (1945).
(2) Carroll, McCormack, ApJ(Part 2) 1Z1., L33 (1972). (2) Delsemme, Rosen, BSRSL 14, 70 (1945).
(3) Smith, PRS A~' 113 (1973). (3) Malet, Rosen, BSRSL 14, 377 (1945).
(4) Klynning, Lindgren, USIP Report 73-20 (1973). (4) Brewer, Mastik, JCP 12., 8J4 (1951).
(5) Scott, Richards, JCP .2.J., 1690 (1975). (5) Bass, Benedict, ApJ 116, 652 (1952).
(6) Lagerqvist, Huldt, ZN§ a, 49J (195J).
FeO, Fe0-1
(7) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
aThermochemical value (mass-spectrom.)(10)(15)(20). See (8) Callear, Norrish, PRS A ..£22, J04 (1960).
also ( 4 ) ( 6 ) • (9) Bass, Kuebler, Nelson, JCP 40, 3121 (1964).
bElectron impact appearance potential (20). (10) Burns (1966), quoted in (lJ).
cThe similarity of the vibrational constants suggests a (11) Dhumwad, Narasimham, PIASA 64, 28J (1966).
common lower state for the five systems. Uncertain.
(12) Callear, Oldman, TFS.§_}, 2888 (1967).
dFrom the rotational analysis (14) of four bands of the
(13) Cheetham, Barrow, AdHTC l, 7 (1967).
short-wavelength component of b-A. They appear to be
(14) Barrow, Senior, Nature~' 1J59 (1969).
the n• =Il" = 0 subbands of a quintet or septet 2::- L: (15) Balducci, De Maria, Guido, Piacente, JCP ..,22, 2596
transition. An earlier analysis by (11) is incorrect. (16) Von Rosenberg, Wray, JQSRT 12, 5Jl (1972). I (1971).
eLifetime '['~ 500 ns ( 19).
(17) Fissan, Sulzmann, JQSRT 12, 979 (1972).
fRotational analysis using tunable-laser excited fluores- (18) Bagus, Preston, JCP .2_2, 2986 (197J).
cence spectroscopy (19). (19) West, Broida, JCP 62, 2566 (1975).
gLifetime -r~ 450 ns (19). (20) Hildenbrand, CPL J1., J52 (1975).
hFrom a re-analysis of B~X by (21). The FeO- photoelectron (21) Engelking, Lineberger, JCP 66, 5054 (1977).
sp. (21) gives a ground state frequency of 970 +_ 6 0 cm -1 •
isymmetries assigned (21) on the basis of ab initio cal-
culations (18).
221
 222
State Te w wexe Be «e D re Observed Transitions References
e e
(lo-7cm- 1 ) (i) Design. l voo

(SE>> Fe (31> S (µ = 20.3437228) Do

0
= 3.31 eV a JAN 1975

C5 "> Fec.is> Si (µ = 18.6491827) 0

Do = J.0 4 eV
a JAN 197.5

19f16Q µ = 8.68388225 D0o = 2.2 ev a I.P. = 12.7 eVb JUL 1976

x 2n 0 [1028.7]C (5.15)d I
3
(l.104)d ( 0.0097) d l 9
l (l.326)d

cb9,11>Ga (µ = 34.9554267) D00 = 1. 4 0 eva JUL 1976

2
R shaded emission bands in the region 18200 - 21700 cm-1 ; w ~ 165. (3)

Ga.As, GaBi see p. 226.

{, 9Gu 8 'Br µ = :37.2205864 Do =

0
4.Jl eVa JUL 1976
c ln (36000) Diffuse absorption bands (fluctuation b.) indicating a shallow upper c~x, 37Jl0b (1)
state potential curve.
B Jn 28532.0 271.6c H 2.50 B~X, v 28535.9 H (1)(5)*
l
A Jn+ 28161.8 272.2c H 2.53 .A~X, v 28166.0 H· (1)(5)*
0
x lr;+ 0 263.oc H 0.81 0.0'818393 :o,. ·000 J207 co .• 32)'d ' ·2.35248 Microwave sp .• {2)

6qGa. 35Cl µ = 23.1990149 n0O = 4 .92 eva ; JUL ·1976

Continuous absorption at 41200 and near 47'60'0 cm·-·1 • (1)(2)
c ln (40261) [12o]b H ' C+-X, R 40139 R '(1):(.2)*
B Jn
1 29859.4 395.J H 2.5 [0.15686] 0 [2.152) '.H~X., v 29874. OJ c Z ' fl.)r(.2}*
A Jn + 29527.2 395.3 H 2.3d [o.1577 9 Je [2.1460] A~X, v 29.541.9 (Z) (1)(2)*
0
x lr;+ 0 365.3f H 1.2 0.1499045 o.0007936J (l.Ol)h 2.201690 Microwave sp.i (3)(7)
FeSa ~hermochemical value (mass-spectrom.)(1)(2). GaBr1 aLimit from the analysis of the fluctuation bands, and
(1) Marquart, Berkowitz, JCP J.2., 28J (1963). extrapolation of vibrational levels in 3n 0+ and 3n 1 ;
(2) Drowart, Pattoret, Smoes, PBCS No. 8, 67 (1967). for correlation with atomic products see (J). Flame
photometry (4) gives 4.45 ev.
FeSi1 8Thermochemical value (mass-spectrom.)(l). bvertical transition.
(1) Vander Auwera-Mahieu, Mcintyre, Drowart, CPL~' 198 cAnalysis of (1). (5) revised some of the vibrational
(1969). assignments and gave constants for 6 9Ga79Br.
31w e2•
dCalculated from 4B ei·
F01 aindirectly from the difference between the electron im-
(1) Miescher, Wehrli, HPA Q, 458 (1933); 1, 331 (1934).
pact appearance potentials of FO+ from FO and F 2o (4)
(2) Barrett, Mandel, PR 1.Q.2., 1572 (1958).
and the known heat of atomization of F 20; see also (2)(5).
(3) Barrow, TFS 2£, 952 (1960).
bPhotoionization mass-spectrometry of F 2o (7). See also (2). (4) Bulewicz, Phillips, Sugden, TFS :iJ..., 921 (1961).
cFrom matrix IR absorption and Raman spectra in Ar (l)(J) (5) Savithry, Rao, Murty, Rao, Physica 1.2, J86 (1974);
(6). (2) suggest a corrected gas phase frequency of 1050.
dTheoretical calculations (2). GaCi.1 ~rom spectroscopic evidence concerning C 1 n, see ( 4).
(1) Arkell, Reinhard, Larson, JACS §1., 1016 (1965). Good agreement with the flame photometric value of (6).
(2) O'Hare, Wahl, JCP .iJ., 2469 (1970). bBands with v'=l are diffuse on account.of predissoci-
(J) Andrews, Raymond, JCP ..5j, J078 (1971). cRecalculated by (5) from data in (2). ation.
(4) Clyne, Watson, CPL 12, J44 (1971). dw y = + 0.015.
e e e
(5) Levy, JCP 2.£, 1415 (1972). Be)- Bc)' redetermined from the differences between conse-
(6) Andrews, JCP 2.L, 51 (1972). cutive lines in the Rand P branches measured by (2).
f
(7) Berkowitz, Dehmer, Chupka, JCP 22,, 925 (197J). 6G(t) = 363.3 2 from band origins (5).
g
oe 8
= + i. ox io
-6
Ga 2 a 8Thermochemical value (mass-spectrom.)(1)(2)(4). hsee d of GaBr.
1. 69
(1) Drowart, Honig, BSCB 66, 411; JPC 61, 980 (1957). eqQ( Ga) - [92.4 0 - 0.6 8 (v+t)J MHz,
(2) Chupka, Berkowitz, Giese, Inghram, JPC 62, 611 (1958). eqQ(35c.e) = - [13.2 0 + 0~2 0 (v+t)] MHz (7).
(J) Ginter, Ginter, Innes, JPC .£2., 2480 (1965). (1) See ref. (1) of GaBr.
(4) Gingerich, Blue, 18th Annual Conference on Mass-Spec- (2) Levin, Winans, PR 84, 431 (1951).
trometry and Allied Topics, San Francisco (June 1970), (3) See ref. (2) of GaBr.
paper F2. (4) See ref. (3) of GaBr.
(5) Bartky, JMS j, 206 (1960); ~' 275 (erratum) (1961).
(6) See ref. (4) of GaBr.
(7) Tiemann, Grasshoff, Hoeft, ZN Z:J_ a, 753 (1972).

223
 224
State Te w
e w x
e e Be ae De re Observed Transitions References
(10- 6cm- 1 ) (i) Design. I voo

69Ga'9F µ = 14.8932747 0
D0 = 5.98 eVa JUL 1976
ln b
c 47365.7 542.J.5 (Z) 9-55 (0.358) (o.0053 )c
5
(1. 778) c~x, Ry 47J24.l (Z) (l)* (2)(3)
B Jn 1 33427.8 662.1 z l.45d o.37198ef 0.00302 1.7444 B~X, v JJ448.12 z (l)* (2)(J)
A Jn +
0 33105.5 663.02 z 2.18g o.37098e (0.0030 2 ) 1. 7467 A~X, v 3Jl26.17 z (l)* (2)(J}
x lr;+ 0 622.2 z 3.2 0.3595161 o.0028642h 0.50 1.774369 Microwave sp.i {6)(7)

<69 >Ga 1H (µ = 0.99JJ0124) D0O < 2.8 4 eV a JUL 1976

Open-structure absorption bands in the region 41650 - 46300 cm- 1 , provisionally ascribed to (1)
Ga 1H.

rx,
A ln [5.l]bc [1.82] A~X, R 23714 HQ (2)(.3)(6)

2 [6.811] [62o]d [1. 578 5J v 17909.43 z (3)*

r
Jn z e 6.692f o.J26g 489h 17626.84 z (2)(J)*
17622.01 16Jl. l7 58.22 1.5925 ~x, VR

~Il~+
a
a 17.3.37.08 1640.54 z 62.72 1 6.394f o.276j 262k 1. 6292 ~x Ry 17J45.78 z (2)(.3)*
J,
no- 17J33 [1492.5] z 6.358 o.22om [243]n i.6338 ~ X, o Ry 17340.41 z (5)
x lE+ 0 1604.52 z 28.77P 6.137f 0.18lq 342r 1. 6630

Cl>9 >G a. 2 H (µ = 1.95691832) 0

Do < 2.86 eVa JUL 1976
A ln [2.6l]c [100] [1.82] A":- X, R 23860. 2s z (6)
a Jn [3.3J9] [113] [1. 6062] a(- X, v 17634.36 z (2)
1
x 12:+ 0 [3.083] 0.063 [84] 1.6631
GaF1 aThermochemical value (mass-spectrom.)(5). Ga 1H, Ga 2H (continued)1
bweye - o.6 0 • This state may have a small potential maxi- d
DRP - DQ = + 12 x 10 •
-6
mum of rv 0.26 eV (5).
ew y = - 7.47.
ere= - (0.0003). Rotational constants estimated from ob- f e e
RKR potential functions (4).
served R - Q or P - Q head separations and B".
d
gfe = - 0.0315. Rotational constants derived from R and P
weye - o.433· branches. Slightly different Bv and Dv values from the Q
eRecalculated from (3) with the more accurate ground state
branches; see (3).
constants of (6). h-124xlo- 6 (v+t) + 83.5x10-6 (v+t) 2 ; see g•
fA-type doubling, ERP - BQ ~ + 6 x 10-5.
. e y e = - 6.195 •
iw
gweye = - 0 ·31· Jr e = - 0. 0400.
h~
. oe + 0.0000102. k + 7 5 x 10 -6 ( v+t ) + 1 4 • 5 x 10 -6 ( v+21 ) 2 •
1
µ 0 (v=O) = 2.45 D (6); i.,6G(3/2) = 1313.6.
e.v 69
eqQ( Ga) = - [107.07 - l.09(v+t)] MHz (6)(7), m (. = - 0 • 0 58 •
g 3 (v=O) = - 0.0601 2 µN (7). n De = 4 13 x 10 -6 , D = 46 J x 10 -6 •
1 2
0
(1) Welti, Barrow, Nature 168, 161 (1951); PPS A .Q.2, 629 Each band consists of a single Q branch.
(1952). Pweye = + 0.360.
(2) Barrow, Jacquest, Thompson, PPS A§]_, 528 (1954). qt'e = - 0.0005.
(3) Barrow, Dodsworth, Zeeman, PPS A lQ, 34 (1957). r + lx lo- 6 (v+t) 2
(4) See ref. (3) of BaBr. sCalculated from v 0 (o-l) = 22745.8 using ground state vi-
(5) Murad, Hildenbrand, Main, JCP ~' 263 (1966). brational constants derived from Ga 1H. The 0-0 band was
(6) Hoeft, Lovas, Tiemann, TBrring, ZN~ a, 1029 (1970). not observed owing to a strong overlapping i~p'~i'lty.
(7) Honerj~ger, Tischer, ZN~ a, 1919 (1974). (1) Garton, PPS A 64, 509 (1951).
Ga 1H, Ga 2Ha (2) Neuhaus, Nature 180, 4JJ (1957); AF 14, 551 (1959).

8From the predissociation of A 1 n(v=O), see c.

(J) Ginter, Innes, JMS z,
64 (1961).
(4) Ginter, Battino, JCP 42, 3222 (1965).
bFrom the value for Ga 2H.
(5) Poynor, Innes, Ginter, JMS ZJ., 237 (1967).
cDeuteride bands involving this level have diffuse rota-
(6) Kronekvist, Lagerqvist, Neuhaus, JMS J.2., 516 (1971).
tional lines whose width increases with J. Corresponding
lines of the hydride are even broader, only diffuse Q and
R heads can be recognized. The diffuseness results from
tunnelling through a potential maximum which separates
the shallow potential well from the dissociation limit
2 2
P 3/ 2 + S.

225
 226
State Te w
e wexe Be "e De re Observed Transitions References
(10-7cm-1 ) {i) Design. l voo

"9Ga•211 µ = 44.6660984 0
D0 = 3. 47 ev
a
SEP 1976
c ln Continuous absorption with maximum at 32600 cm- 1 • C-E- X, (1)
Jn HQ b HQ
B 1 25900.6 185.0 2.7 B~X, 25884.J (l}*
A Jn + 25571.0 193.2 H 2.4 A+-+X,
b 25559.0 H (l)*
0
x lE+ 0 216.6 HQ 0.5 0.0569347 0.000189 (0.157) 2.57467 Microwave sp. c (2)

<'9>Ga'60 (µ = 12.98224643) D00 = J.9 1 ev a SEP 1976

Additional unclassified emission bands in the region 20000 - 2JOOO cm-1 • (1)
B 2E 25706.9 762.9b H J.44 [( o.4013)] [(2.9)] [(l.798g)] B~X, R 25705.3 H (l)* (2)(4)
(5)
x 2E 0 767.5b H 6.24 [ ( o.4271) J [(J.7)] [ (1. 7436) J

(69>Ga3•p (µ = 21.J70J567) 0
D0 = 2.38 eva SEP 1976

C6<HGa.030>Te (µ = 45.0323429) D0O= 2.7 eva SEP 1976

3

C69>Ga. 7sAs (µ = 35.8993115) 0

Do = 2.1 8 eva SEP 1976

C69>Ga..2.09Bi. (µ = 51.8308214) Dg = i.6 0 eva SEP 1976

GaI1 8Extrapolation of vibrational intervals in A and B; see GaP1 aThermochemical value (mass-spectrom.)(1)(2).
the discussion in (J). (1) Gingerich, Piacente, JCP 2!±,, 2498 (1971).
bBoth directions of shading occur, even in one and the (2) Piacente, Gingerich, HTS], 219 (1971).
same band.
ceqQ(69Ga) - 66 MHz, GaTe1 aThermochemical value (mass-spectrom.)(l), adjusted to
eqQ( 12 7r) = - 549 MHz. the new value of n 0~Te 2 ); see DONNSPEC (1970).
(1) See ref. (1) of GaBr. (1) Uy, Muenow, Ficalora, Margrave, TFS 64, 2998 (1968).
(2) See ref. (2) of GaBr.
(J) See ref. (J) of GaBr. GaAs1 aThermochemical value (mass-spectrom.)(l).
(1) De Maria, Malaspina, Piacente, JCP 2,g, 1019 (1970).
Ga01 aThermochemical value (mass-spectrom.)(6). For flame
photometric results see (J)(4). GaBi1 aThermochemical value (mass-spectrom.)(l).
bConstants from (5) who attribute the double heads ob-
(1) Piacente, Desideri, JCP jl_, 221J (1972).
served for most bands to isotope splitting; (1) assu-
mes spin doubling. (1), (2), and (4) give all slightly
different constants.
(1) Guernsey, PR 46, 114 (19J4).
(2) Sen, IJP 10, 429 (19J6).
(J) Gurvich, Veits, BASPS 22, 670 (1958).
(4) Gurvich, Novikov, Ryabova, OS(Engl. Transl.) 18, 68
(1965).
(5) Raziunas, Macur, Katz, JCP J.2., 1161 (196J); 42, 26J4
(1965).
(6) Burns, JCP 44, JJ07 (1966).

227
 228
State Te w
e we x e Be «e De re Observed Transitions References
(10- cm- 1 ) (i) Design.
1 voo

c1ss>Gcf 19F (µ = 16.9583061) 0

Do = (6.0 8 ) eVa JAN 1975

c1ss>GcJ.160 (µ = 14.52390121) 0
Do = 7.3 7 eV
a JAN 1975 A
Large number of mostly R shaded bands in emission from 1.3300 to 22500 cm-1 • (2)* {4)*
Two systems of bands with multiple heads were identified by (1) and
confirmed and extended by (4)(7)1
2 2
System I i vH = 21700.5 + 748.0(v'+t) - 3.o(v'+i-) - 830.l(v"+t) + 2.3(v"+t) R 21659.3 H
2 2 (1)(4)(7)
System Ila vH = 20470. + 767. 0 (v'+t) - 4.9(v'+i) - 836. 0 (v"+!) + 2.8(v"+!) R 20435·5 H
5
Assignments at longer wavelengths are less certain, and considerable
disagreement exists between analyses by (l)(J)(7) except in the re- R 16170 H
gion 15700 - 16200 cm- 1 where three long sequences have been identifieds R 16122 H (1)(.3)(7)
R 16094 H

c1ss>Gd. C32.) S (µ = 26.5890611) 0

DO = 5.J7 eVa JAN 1975

<•ss>Gd. cso)se (µ = 53.0638781) D00 = 4.4 1 eVa JAN 1975

c1ss>G d5'30lTe (µ = n.275762) ng = J.4 9 eVa JAN 1975

(12,1,..>Ge 2 (µ = 36.4539647) 0
Do = 2.8 2 eVa SEP 1976
GdF1 aThermochemical value (mass-spectrom.), quoted from (1). GdS1 aThermochemical value (mass-spectrom.)(l), recalc. (2).
Re-evaluation using the reaction enthalpies and auxili- (1) See ref. (6) of GdO.
ary data in (1) results, however, in 6.9 eV.
5 (2) Bergman, Coppens, Drowart, Smoes, TFS 66, 800 (1970).
(1) Zmbov, Margrave, JINC ~' 59 (1967).
GdSe, GdTe1
Gd01 aThermochemical value (mass-spectrom.)(5)(6)(8). aThermochemical value (mass-spectrom.)(l).
(1) Piccardi, GCI .2J., 887 (19JJ). (1) See ref. (2) of GdS.
(2) Gatterer, RS 1, 153 (1942).
(J) Lemaitre, Rosen, quoted in (4). Ge 2 1 aThermochemical value (mass-spectrom.)(l).
(4) Gatterer, Junkes, Salpeter, Rosen, METOX (1957). (1) Kant, JCP 44, 2450 (1966).
(5) Ames, Walsh, White, JPC 1.!., 2707 (1967).
(6) Smoes, Coppens, Bergman, Drowart, TFS .£2, 682 (1969).
(7) Suarez, Grinfeld, JCP ..2J., 1110 (1970).
(8) Drowart, Myers, Szwarc, Vander Auwera-Mahieu, Uy, to
be published.

229
 230
State w
e Observed Transitions References
Design. l v 00

C7lf.> GeC79l Br SEP 1976

Additional unassigned absorption bands above 4JOOO cm-1 • (6)
G 47544 358 H v -
47.577 H
(6)*

F . F-E- X,
v Lts946 H
(6)*

v 44~~&
Very diffuse bands.b H (6)*
44805 J66 H 5 E'"" X, H

c c2n) (41156)
c
I I
Only v'=2 progression observed.
D+- X,

C-E- X,
v
v
~4~~~
(400J7)
H
H
(6)*

(6)*
41046 J59 H J Predissociation begins between v'=l and 2. 41077 H
B ( 2 t+) JJ41J JSJ.7 H 0.7 B+-+ X, v J2J07 H (l)* (6)
JJ457 H
2
A' ( A) 27252 197·J H 7•2 A'-+ X, R 26051.5 H (2)*
27156 190.l H 7•J 27102.1 H
A (2I:) Bands in the region 17000 - 2)000 cm-1 • Different vibrational ana- A-i>X, R {3)(4)(5)
lyses, w~ Al 190.
x 2
nr 1150
0
H
J l l
(µ = 10.J24045J4) SEP 1976

µ = 23.7389853 D g= (4. 4) e Va SEP 1976

Tentative assignments of bands above 46000 cm-1 • 46640 H
(7)
(D) 47586 H

c ( 2 n) 45845 493.4 H 2.0 C-E- X, v 44914 H

(7)*
45824 45867 H
c• 421'81 506.9 H 3.7 c·~ x, v 422)0- H (7)*

B ( 2I:) .526.6b H (O.J) c B~X,

v 33078. 0 H (l}* (2)(1+),
34052. 0 H (7}*
 State T
e w wexe Be «e De re Observed Transitions References
e
(10- cm- 1 ) (i) Design. l voo
1
,..Ge 35 Cl (continued)

A'(2~) 29561.7 ~5·5 H 4.58 A'-+X,d R 28550.9 H

r 29499·8 2.1 H 4.65I I I
Bands in the region 16000 - 25000 cm -1 • Different vibrational ana-
29466.2 H
{2)*

A (2I:+) lyses, w~ s:11 250. A-+X, R (3)(5)

c
x 2n 97.5-o 405.5 H 1.23
r 0 407.6 H
1
l • .J6

GeBra 8Extrapolation of vibrational levels in A's atomic pro- GeCL1 asee a of GeBr.
ducts at the limit uncertain. b(4) and (6) give slightly different constants.
bit is possible that more than one transition is invol- 0
Partial rotational analysis of two subbands (6).
ved. dThe bands have at least two heads of comparable inten-
cDoublet separation~ 20 cm-1 • sity.
(1) Jevons, Bahford, Briscoe, PPS ~' 5.J2 (19.37). (1) See ref. (1). of GeBr.
(2) Andrews, Barrow, PPS A .QJ, 957 (1950). (2) Barrow, Lagerqvist, AF!, 221 (1949).
(3) Kuznetsova, Kuzyakov, IVUZK 12 (9), 1183 (1969). (J) Deschamps, Robert, Pannetier, JCPPB .2..:2, 1084 (1968).
(4) Rao, Haranath, JP B £, 1385 (1969). (4) Filippova, Kuzyakov, VMUK No • .J, 25 (1968).
(5) Chatalic, Deschamps, Pannetier, JCPPB §1., 335 (1970). (.5) Rao, Haranath, JP B ~' 1080 (1969).
(6} Oldershaw, Robinson, TFS §1, 2499 (1971). (6) Mishra, Khanna, IJPAP ~' 825 (1970).
(7) Oldershaw, Robinson, TFS 66, .5.32 (1970).
GeC1 8Thermochemical value (mass-spectrom.)(l).
(1) Drowart, De Maria, Boerboom, Inghram, JCP .1Q, JOB
(1959).

231
 232
State Te w wexe Be «e De re Observed Transitions References
e
( 10-7cm-1 ) (.i) Design. 1 voo

7"'Ge'9F IJ = 1.5.11)9772 D0O = ,5.0 0 eVa I.P. = 7.46 eVb SEP 1976
2Ar(4d8) 49412.89c (710.37] z 2.82 H 0.)8408 0.00261 [4.43]d 1.70411 G-+X, v 48523.4 HQ (2)(7)*
G
49415.6 HQ
D
2t+( 6s6') 48.581.26 833.12 ze 6.52 H 0.39972° 0.00214 [J.73Jf 1.6704 D-tA, v 25473. J 0 z (7)*
D-t X, v 47726.6 H~ (7)*
48662.6 H
D' 2n (4d'ii) 47920.73g 803.96h z J.J8 H o.4oo68hi 0.00259 3.62h 1.6684 D' -+A, v 24798.98h z (7)*
DI-+ x, j v 47043.0 H (7)*
47976.J H
E
2E+ ( 5p6") 4664,5.41 760.08 z 2.967 o.39a45k 0.00290 4.33 1.6731 0 E-+B,.l 11616.26 z (7)*
c 26 4J977.49m [684.00] z 9.31 0.38835 0.00421 [4.97]n 1.69472 C-7 X, v 43994.43° zz
43059.27° (2)(4) (7)*
2
c• n (5p'lrj 4JJ69.61P 796.88 z J.415 0.39957q 0.00258 4.13 1.67075 C'-+A,rR 20244.31 (7)
C'-+X, V
8 42547.8 H (4)(7)*
43377.9 H
a 4E- J5194.68t [628.31] z 6.66u o.36676t 0.00369 [4.94]v 1.7439 a-tX, 35181.77 z (6)*
B
2E+( 5sf>) J.5010.85 796.99 z J.61Jw o.39440x 0.00255 J.88 1.68167 B-+A, v 11885.56 z (2)
B-+X,Y J4141.2J
v 35076.39 z (l)* (6)*
z
A 2E+ 23316.65 41).0J z l.124z o.32039a' o.00307b' 7.78C' 1.86582 A-+X,Y R 22255.67
z (l)* (6)*
23190.83 z
2 934.33 667.33 z 0.36660 4.50
x 2n3/2 3.15od' f' 1.7452
o.36579e'
0.002675 J 4.47
Ill/2 0 665.67 z
GeFs ~hermochemical value (mass-spectrom.)(J)r see also (5). tSpin-splitting constants for v=Os A= + 8.086 [4A =
T 0 ( 4~
bApproximate limit of thens (n = 5, 6, ••• ) Rydberg
series (7). (5) give 7.2 eV from electron impact mass-
312 ) - T 0 ( 4~
112 )], 01 ~ 2 = 0.0119. See also x
t
uBased on the interpretation of a perturbation in B 2 ~; v=4.
spectrometry. v D = 4 • 90 x 10 -7 •
c 1
A0 = + 22.20, A1 = + 21.5r small J dependence. WW y = + 0.0124.
dD 4 .52 x 10 -7 • x e e
1 Spin-doubling constant f(v=O) = + 0.00100. Extensive per-
eRotational analysis of v=2, and tentative results for turbations between B 2 ~+, v=O and a 4 ~-, v=O.
v=O. YFranck-Condon factors (8).
f -7
D 2 = 3. 3) x 10 • zw
, e y e = - 0.0129.
gA 2 = (+)4.2), AJ (+)4.35. a Spin-doubling constant ~(v) - [0.03662 + 0.00014(v+!)].
b'
hExtrapolation from the rotationally analyzed levels te = + 0.000038.
0

_v'=2 and 3r /3e = + o.2 1 x10-7. c ' - o• 2 2 x 1 O- 7 ( v+t) +

1
Large A-type doubling, also spin-rotation interactionr d'w y = + 0.0068.
, e e
;,./\.-type doubling, ~vfe = - [0.0218 4 + o.00019 (v.+~)](J+!).
see (7).
jThe 0-1 and 0-2 bands were previously considered by (2)
5
de = + 0.000008 •
3
as 0-0 bands of their transitions F-X and E-X, resp •• (1) Andrews, Barrow, PPS A .QJ, 185 (1950).
kSpin-doubling constant f(v=O) = - 0.0358. (2) Barrow, Butler, Johns, Powell, PPS 1J, 317 (1959).
1
~v=O sequence of slightly V shaded bands, provisionally (J) Ehlert, Margrave, JCP 41, 1066 (1964).
assigned in (2) to a E( 2 n)-B( 2 ~) transition.
(4) Uzikov, Kuzyakov, VMUK No. 5, JO (1969).
mAO = lJ.88, A1 = 14.25. (5) Harland, Cradock, Thynne, INCL 2, 53 (1973).
ml
0
= 5.15 x lo-7. (6) Martin, Merer, CJP jl, 125 (197J).
Referring in the upper state to the zero point of the
(7) Martin, Merer, CJP ..2£,, 1458 (1974).
Hill - Van Vleck expression.
(8) Singh, IJPAP 1.J., 204 (1975).
PA 0 = 105.63, A1 = 105.88, A2 = 105.96r small J depen-
dence.
2
q_A.-type doubling in n!' ~vfe(v=O) = - O.OJ7J(J+!).
rExtremely weak system consisting of a long 0-v" progres-
sion r not analyzed.
sThe J-1 and 1-0 bands of C ' 2nt - x 2 n! correspond to the
0-0 sub bands of a system D- X proposed earlier by ( 2).
The 2-1 band of the J/2- J/2 system was assigned by (2)
as 0-0 band of C' - X2n1 •
2

233
 234
State Te w wexe Be «e De re Observed Transitions References
e
c10- 4cm-1 ) (.i) Design. l voo
12
Ge 1 H µ = 0.99389799 ng ·~ J.3 eva SEP 1976
B (2I:) (41074] Incompletely resolved bands. B-t-X, R 39686 H ( .3)
4057.3 H
A 2/l
0
254.54b [1185.15] z (127) 6.535d 0.6196 [5.71]e 1.611 A~X, R 25197.0 z (l)* (6)* (9)
a ·4I:(-) [16747]f [6.7654]f [4.60] [1.5834] a-+X, v 15802.8 z (2)(5)
og h
x 2n r [18JJ.77] z (J7)c 6.7259 0.1916 [J.26]i 1.5880

11
·Ge 2 H µ = l. 95923588 ng ~ 3.3 evj SEP 1976
A 2/l 2546ok 102?.82 z 65.73 3.286/' o.167 0m [1.40]n 1.6182 AHX, R 25283.0 z (6)* (9)
00 0
x 2n r [1320.09] z (19) J.414/ 0.0702 [ o.a32]q l.5874

1"'Ge1111 µ = 46.7118030 SEP 19?6

Additional absorption bands above 40000 cm-1 , tentative assignments. (J)
. a
G G+- Xl' V 4.3959 (4)*
F 42769 292 H 2 F+-X2' 41376 (3)(4)*
F+- xl' a v 42792 H
E E+-X , 42639 (4)*
1 a
D D-f- Xl' V 41781 (3)(4)*
c a 41404 (3)(4)*
c~xl'
B+- X2' fragments only. (2)
B ( 2I:) 32650.1 J05.9b H 0.67
B+- x1 , a V 32679.9 H (l)* ( 2)
A ( 2I:) 18663 155.2 H 0.58 A.+X 1 , R 18617 H (2}
2 (141J)
X2 IlJ/2
2 0 246.J H 0.75
X1 ll1;2
Ge.LH, Ge 2 Hc
8From the predissociation in A 2 A (6)1 thermochemical
data give the same value (4).
bAo 10.J, A1 = 6.1; moderate J dependence. For a more
detailed theoretical discussion of this 2 A state see
(8).
cEstimated from isotope shifts (6).
dSpin-doubling constants ( = o.47J (v=O) and 0.362 (v=l).
Broadening of absorption lines due to predissociation
above 27000 cm- 1 •
en = 8. 01 x 10-4 1 also higher order constants.
1
fSpin-splitting constants A= 6.52, f1 = 0.037, r2 =
r
0.048. Note, that the definitiops of A, 1 , and f 2 used
in (5) are those of Hougen (4a) and differ from those
used by Martin and Merer [see ref. (6) of GeF]. The B0
value in the abstract of (5) and quoted in DONNSPEC
is clearly wrong.
gA 0 = 892.52, A1 = 896.12 from (6)1 small J dependence.
See also (9).
hA-type doubling; in 2 ni(v=O), Av= 0.496(J+~) - •••
i D = J.40x 10 4 • 2
1 1
_jFrom the value for Ge H.
kA 0 = 14.4, A1 = 9.9, A2 = 7.2; moderate J dependence.
!Spin-doubling constants O= 0.300 (v=O), 0.281 (v=l),
0.22 (v=2). Predissociation, see d.
m .
r.
n....e
= - o. 0219·
4 4
· v 1 = 1.65 x 10 , D2 = 1.7 x 10- 1 also higher order con-
stants.
Ge 1H, Ge 2H (continued)c
0
A0 = 891.86, A1 = 894.J5 from (6)1 small J dependence. See
also (9).
PA-type doubling; in 2 ni(v=O), Av= o.2506(J+~)
qn 1 = o.824xlo-4 •
(1) Kleman, Werhagen, AF Q, 359 (195J).
(2) Kleman, Werhagen, AF Q, 399 (1953).
(3) Barrow, Drummond, Garton, PPS A 66, 191 (1953).
(4) Barrow, Deutsch, PCS (1960), 122.
(4a)Hougen, CJP 40, 598 (1962).
(5) Klynning, AF Jg,, 563 (1966).
(6) Klynning, Lindgren, AF Jg,, 575 (1966).
(7) Kovacs, Pachar, JP B ~, 1633 (1971).
(8) Veseth, Physica ..2..Q, 286 (1971).
(9) Veseth, JMS 48, 283 (1973).
GeI1 aThe systems B-X, C-X, D-X, F-X, and G-X of (1)(4)
correspond to c-x, D-X, E-X, F-X, and H-X of (2)(3).
bVibrational numbering of (2), based on observed isotope
shifts and confirmed by (4).
(1) Oldershaw, Robinson, TFS 64, 2256 (1968).
(2) Chatalic, Deschamps, Pannetier, JCPPB §J_, 1567 (1970).
(3) Chatalic, Iacocca, Pannetier, CR C ~' 1784 (1972).
(4) Oldershaw, Robinson, JMS 44, 602 (1972).
235
 236
State T w we x e Be ae De re Observed Transitions References
e e
(lo-7cm- 1 ) (.R) Design. l voo

1+Ge 160 µ = 13.14962564 °

n0 = 6.78 eVa I.P. = 11.1 0 evb SEP 1976 A
Additional unassigned R s!laded absorption bands between 66800 and 69900 cm -1 . (J)
F 67474.5 809.0 H 5.66 F~X, R 67390 H (J)*
E 49637.3 504.3 H 4.8 Et-?X, R 49397 H (J)* (16)*
(l)* (2)*
A ln 37766.9 H 650.4 H 4.21 o.413 cd 0.0033 8.2 1.761 A~X, d R 37595.4 z (8)* (13)
3 (16)(18)*
a (3n ) J21J2 734.9 H 5.3 (o.438) (1.711) a-tX,d R 32007 H (7)(25)*
1
a'(3E+) a' -7X, de R (21)(24)*
27733 633.J H 2.7 (0.389) (1.815) 27553 H
(25)*
(B) (21117) (58o. 0 ) H (3.5) Observed in thermal emission.f (B~X), R (20917) (15)
x lr:+ 0 985.5g H 4.29g o.4856962a 4.72h 1.624648 Microwave sp. (6)(9)(17)
0.00307561
Mol. beam el. reson.ij (10)(20)

7,,.Ge325 µ = 22.3188284 0
DO= 5.67 eVa SEP 1976
E 38884.8 Jl0.3 H l.43b Et- X, R 38752.1 H (l)(J)*
A ln J2889.5 375.0 H 1.51 A-1:--t X, R 32789.2 H (1)(2)* (J)*
a (Jn) a-7X, (22400)c (8)
x 11:+ 0 575.8 H 1.80 0.186565757 o.00074910 3d o.7883e 2.012086f IR sp.g (9)
Microwave sp. h
l (5)(10)

Geo a ~hermochemical value (mass-spectrom.)(4). Geo (continued)s

bvertical I.P. from electron impact mass spectrometry (12).
0
Perturbation between A 1n(v=O) and a 3n(v=8), see (25).
dRKR potential curves (5)(22), Franck-Condon factors (19)
(2J)(25); variation of A-X electronic transition moment
(26).
eAlso observed in phosphorescence in various solid matrices
at low temperature (14); lifetime in matrices (11).
fThe vibrational analysis seems uncertain since the inten-
sity distribution does not agree with that expected for
such a large change of ~e·
Geo (continued)a Gess aThermochemical value (mass-spectrom.)(4). The convergence
gFrom band origins (13) obtain we = 986.84, wexe 4.47. limit in E- X, assuming dissociation into 3p + 3p, gives
hCalculated D • 5.66 t 0.13 eV, the error being due to the uncertainty
i + e with regard to the particular triplet components involved.
.µet( Geo-) = [J.2720 + o.0208(v+!)] D (10).
JgJ(v=O) = - 0.1411 (17)(20); also magnetic susceptibility bExtended progression (v"=O) converging to 46715 cm- 1 • The
anisotropy and molecular quadrupole moment. vibrational constants given represent this progression up
to v'=l7 only.
(1) Jevons, Bashford, Briscoe, PPS !±.2_, 543 (1937).
cExtrapolated from observed phosphorescence spectra in va-
(2) Drummond, Barrow, PPS A £.2, 277 (1952).
rious solid matrices at low temperature (8). Lifetime in
(3) Barrow, Rowlinson, PRS A 224, J74 (1954).
these matrices (7).
(4) Drowart, Degrave, Verhaegen, Colin, TFS 61, 1072 (1965).
d - 4. 4 x l 0 - 8 ( v+-l) 2 - 2 • 8 x 10 -9 ( v+-t) 3.
(5) Nair, Singh, Rai, JCP iJ., J570 (1965): IJPAP 2, lJO efJe = + 0.0010 x 10-7.
(1971). fFrom the effective Be ; 2.012043 R at the minimum of the
(6) TBrring, ZN 2l a, 287 (1966).
Born-Oppenheimer potential curve, see (10).
(7) Sharma, Padur, PPS .2Q, 269 (1967).
gin low-temperature argon and nitrogen matrices.
(8) Majumdar, Mohan, IJPAP Q, 18J (1968).
hµel(v=O) = 2.00 D from Stark effect of microwave spec-
(9) Hoeft, Lovas, Tiemann, Tischer, T8rring, ZN 24 a, 1217
trum (5). Quadrupole hyperfine structure for isotopic mo-
(1969).
lecules with nuclear spins I~ 1 ( 6).
(10) Raymonda, Muenter, Klemperer, JCP ..if, J458 (1970).
(11) Meyer, Smith, Spitzer, JCP i.l, 3616 (1970). (1) Shapiro, Gibbs, Laubengayer, PR 40, 354 (1932).
(12) Hildenbrand, IJMSIP 1, 255 (1971). (2) Barrow, PPS ..il, 116 (1941).
(13) Korzh, Kuznetsova, OS(Engl. Transl.) J.1, 286 (1971). (J) See ref. (2) of Geo.
(14) Meyer, Jones, Smith, Spitzer, JMS J1, 100 (1971). (4) Coppens, Smoes, Drowart, TFS ..QJ, 2140 (1967).
(15) Tewari, Mohan, JMS J.2., 290 (1971). (5) See ref. (9) of Geo.
(16) Murty, Reddy, Rao, IJPAP 10, 8J4 (1972). (6) Hoeft, Lovas, Tiemann, T8rring, JCP .2.J., 2736 (1970).
(17) Honerjager, Tischer, ZN 28 a, 1374 (1973). (7) See ref. (11) of Geo.
(18) Murty, Rao, Rao, PRIA A 1J., 213 (197J). (8) See ref. (14) of Geo.
(19) Sinha, Chatterjee, IJPAP 11, 57 (1973). (9) Marino, Guerin, Nixon, JMS ..2!, 160 (1974).
(20) Dav.is, Muenter, JCP 61, 2940 (1974). (10) Stieda, Tiemann, T6rring, Hoeft, ZN J1 a, J74 (1976).
(21) Hager, Wilson, Hadley, CPL _g_z, 439 (1974).
(22) Savithry, Rao, Rao, CS !±J., 329 (1974).
(2J) Singh, IJPAP 12, 528 (1974).
(24) Hager, Harris, Hadley, JCP £], 2810 (1975).
(25) Capelle, Brom, JCP .§l, 5168 (1975).
(26) Rao, Rao, Rao, JQSRT 16, 467 (1976).
237
 238
State Te w
e '"exe Be ae De re Observed Transitions References
(lo- 8cm-1 ) {i) Design. l voo

7 lf-Ge 80Se µ = 38.4010135 D0o = 4 .9 8 eV a SEP 1976

E 35462.6 217.7 H l.02b E-E- X, R 35367 H (2)*
A ln J0845.7 269.4 H 0.89 I d
A~X, R 30776.2 H (l)* (2)*
x lI:+ 0 408.7 H l.J6 0.096340508
0. 00028 9040 '~ 2.2071 2.1J4629e IR sp.f (6)

l Microwave sp.g (3)(7)

<n>Ge C2s> Si (µ = 20.2956423) Do

0
= 3.08 eVa SEP 1976

1""Ge'30Te µ = 47.1125142 o0O= 4 .24 eva SEP 1976

E E~X, R 31458 b H (2)

(31470) (170) H (1.2) Jl401 H

A ln 27750.a 221.0 H 0.89 A~X, R 27699.J H {l)* (2)

lI:+ d
x 0 323.9 H 0.75 0.06533821 0.00017246° l.ls 2.340165 IR sp. (8)
Microwave sp. 0
l (4)
GeSe 1 8:From the convergence of the E- X, v"=O progression assu- GeSi 1 aThermochemical value (mass-spectrom.)(l).
ming dissociation into .Jp + .Jp. Since the particular tri- (1) See ref. (1) of Gee.
plet components involved are uncertain the possible error
is rather large, viz. ! 0.25 eV. GeTes aThermochemical value (mass-spectrom.)(3), corrected
bLong progression of absorption bands converging at 42360 for the new value of ng
(Te 2 ). Extrapolation of the
cm- 1 • The vibrational constants represent the levels only vibrational levels of the E state (2) gives 4.1 !
to V'=l4. o.4 ev.
c - 3. 4 x 10-8 ( v+t) 2 - 1.1 x 10-9 ( v+i) 3. bThere seem to be two components of this band system,
dfoe = + 0.0019 x 10 -8 • possibly owing to strong perturbations.
°From the effective Be· According to (7) the minimum of the c
oe = -
-8
5. ox lo •
Born-Oppenheimer potential curve is at 2.134603 i. din low-temperature nitrogen matrix.
fin low-temperature argon and nitrogen matrices. eµet(v=O) = 1.06 D from Stark effect of microwave
gµet{v=O) = 1.648 D from Stark effect of microwave spec- spectrum (5)1 hyperfine structure of 73Ge (7). See
trum (4). Hyperfine structure for odd isotopes (5). also ( 6).
(1) Barrow, Jevons, PPS ...2,g,, 534 (1940). (1) See ref. (1) of Gese.
(2) See ref. (2) of Geo. (2) See ref. (2) of Geo.
(3) Hoeft, ZN£! a, 1240 (1966). (3) Colin, Drowart, JPC 68, 428 (1964).
(4) Hoeft, Lovas, Tiemann, T6rring, ZN £2 a, 539 (1970). (4) Hoeft, Nolting, ZN 22 a, 1121 (1967).
(5) See ref. (6) of Ges. (5) See ref. (4) of GeSe.
(6) See ref. (9) of GeS. (6) See ref. (6) of GeS.
(7) See ref. (10) of Ges. (7) Tiemann, Hoeft, T6rring, ZN 26 a, 1930 (1971).
(8) See ref. (9) of GeS.

239
 240
State w we x e Observed Transitions References
e
Design. 1 v 00

µ = 0.50391261 Dg= 4.4781

3
eVa I.P. = 15.4258 evb
9
NOY 1976 A

WAVELENGTH TABLES of the H2 spectrum from 2800 to 29000 ~with assignments of many of the
lines (109). The TABLES OF ENERGY LEVELS (24) are also very useful as long as it is reali-
zed that the absolute values of the energy levels (n~2) relative to the ground state need
correction. Graphs and tables of POTENTIAL ENERGY CURVES for all known states of H2 , H2+ ,
ISee v p. 2411 and H2 - (107).
Fragments of three other triplet systems.c
u-+a,
u Jnu 6pT [123488. 0 ] Only v=O observed. [29.3] [2.3] &bands 26232.;f (1)(24)
td 3E+ 5fo (121292) (2661.4) (121.9) e t-+a, (25J42) ( 4)
u
e q-;.c, (25J25)f {))
qd(3E;)5d5 (121295) [2172.6]
n-+a,
n Jnu 5P'lr' 120952. 9 2)21.4 [2.J] l.057 r bands 24847.l
1
(1)(24)
mh JE+ 4f5 (119317) [24.57.1] m-7 a, 23295.1 ( 4)
u
k 22949.JL (1)(18)(24)
s JAg 4d8 118875. 2 2291.7j 62.44j s~c,

k
r Jng 4d~ 118613. 7 2280.3m 57.96m r-+ c, 2268J.2m (1)(18)(24)
e
p JE; 4d~ 118509. 8 2303.1 76.90 p-k,n (154)
p-+ c, 22586.of (1)(18)(24)
v (Jn g ) o (ll8JJO) (2340) ([29.l]) ([1. 07 2 ]) v-+ c, (224JO) (J)

k 3n u 4p'ii" 118 366 ·2 P

k-+a, 22271.of (1)(15a)(24)
2)44. 37 J0.074 1.46{ 1.0547 f.i bands
JE~ 4p6 (116705)
8
f [2143.6]s [27.0] [1.11] f-+a, 20526.os (1)(24)
ot JE+ (1142J4) 2399.1 91.0 [35] [0.98] o-t a, (18160) (4)
u
Lu Jn u 113825 2596.8 106.o [36] [0.96] !-? a, 17846f ( 4)
aThis is an upper limit (36118.3 ± 0.5 cm- 1 ), the lower
limit being 4.4779 eV. According to (95) the true value
is probably close to the upper limitr see also (101)
who gives ng = J6118.6 cm- 1 on the basis of a reassign-
ment of the last vibrational levels of the B state. The
most recent theoretical value of (70) - including a
small non-adiabatic correction of (161) - is J6117.9
cm- 1 • An earlier independent calculation (54) (not in-
cluding the non-adiabatic correction) gave J6118.l cm- 1 •
bFrom the limit of the npo, 1 E~ Rydberg series (124417.2
cm- 1 ) taking account of perturbations and pressure shift
of high n lines (114). The earlier value of (98) was
higher by 1.2 cm-1 because it was not corrected for pres-
sure shift. The latest theoretical (ab initio) value (79)
including relativistic, Lamb shift, and non-adiabatic
corrections is 15.4259 0 eVr see (114).
c JB -+ c , Jc -+ c, 7p'if ~a ( 1) ( J) •
dt and q are designated~ and JG, resp., in (J)(4).
eThe states gJI:+(Jd6), pJI:+(4do), qJI:+(5do), mJI:+(4fo)
J+ g g g u
and t I:u ( 5f6) are strongly affected by .t-uncoupling.
The N=l levels lie below N=O for v=O and lr meaningful B
values cannot be given until the whole d and f complexes
have been fully analysed, see (58).
fReferred to the (non-existent} N=O level in Jn states;
the N=l levels of c Jn (+and -) lie 60. 7 cm- 1 above N=O.
gRepresents B and B of Jn- only; (4) gives B2 = 26.26,
0 1
BJ = 24.54.
h JE of (4).
iRefers to N'=O which lies above N'=4 because of strong £-
uncoupling.
jConstants refer to N=2; from v=O, 1, 2.
kBecause of strong .t-uncoupling no meaningful B values can
be given; see e
.lRefers to the N=2 level of s J 6~ above the hypothetical
level N=O of c Jnu; see f.
mThe constants refer to N=l of r Jn~; v 00 is the ~nergy
above the hypothetical level N=O of c(v=O), see •
nAnticrossings and microwave transitions. The energy differ-
ence between k Jnu(v=l, N=J) and p JE;(v=l, N=5) is +0.2785
cm- 1 • Fine structure parameters.
0
JA of (J); probably a doubly excited state. T.he possibility
(ls6)(4f~) mentioned by (J) and quoted in MOLSPEC 1 can be
ruled out since it does not give rise to an even state.
PA 0 (ortho) = - 0.00937, A0 (para) = - 0.0071 0 cm-l (12J)(lJJ)
(154); also hyperfine structure investigated by these
authors.
qw
r e e
y = + 0.99 from _(15a).
From B0 and B1 of Il only (1).
sCalculated from the data in (1) and (24). 6G(i) and v 00
ref er to actual N=O level which is strongly perturbed.
t JD of ( 4). Probably a doubly excited state 1 ( 2po) ( Jdtr).
uJy of (4). Probably a doubly excited state1 (2po)(Jd1r).
vThe Te values for the upper states of the triplet transiti-
ons are based on T~' for the lower state {a or c) and have
been calculated assuming Y00 ~ Y00 •
241
 242
State Te w we x e Be ote De re Observed Transitions References
e
See v p.241 (lo- 2cm- 1 ) {i) Design. l voo

H
I 2 (continued)
a
j J8g 3d~ (113533) 2345.2 6a 66.56 b 30.085 1.692 L9o 1.0545 j~c~c R 17633.oP ( 1) ( 24)
i a a 1.0700 i- d/ (1.32)
3ng Jd'Jr (113132) 2253.55 61.0/ 29.221 1.506 1.76
i-+ e, R 5J84.8lg (47)
i~c,c R in85.8P (1)(24)
h Jr;+ Js6 (112913) [2268.?J]h [30.62Jh [1.045] h-+c 9 i6990.8d (2)(24)
g
Jr;+ Jd6' 112854.4 1 j
g-+ e,
g g 2290.86 105.43 R 5116.6 (47)
gf--+c, c 16917.6d (1)(2)(24)
k
d Jn 2371.58.t. 66.27m 30.3641.n [1.91] 1.0496 d 0 ~a, R 16619.od (5)(24)
u Jp'lr 112700 • .3 1.545
Fulcher (Q:) b.
e JE+ Jp6' 107774.7 2196.13 65.8oq 27.30 1.515 1.107 e-+ a, R 11605.6 (1)(6)
u
a Jr;~ 2s6' 95936.1 r 2664.8.3 71.65 9
J4.216 1.671 [2.16] 0.98879 at-+b,u
(a-X) 95076.4r
c .3n u 2p'ii 95838.5
v
2466.89 6J.51W Jl.07XY 1.425 [l.95] 1.037 6 (c- X) 94881. 0 z
b JE~ 2p6" Unstabler lower state of the continuous spectrum of H2 (a-+ b). Pot. function (4J).

~hese constants [from (58)] refer to the .3n- and .38-
components and are based on "Approximation 2" of (53) for
the evaluation of the L-uncoupling. The observed levels
are given by (24).
b
weY e = + O. 74 S-
cObserved in absorption in flash discharges (60).
dsee f p. 241 •
_eweye = - 1.27 2 • Ab initio calculations (41)(45) give a
pronounced potential maximum near 2.5 R for this state.
fAnticrossings and microwave transitionsr i Jn (v=J, N=2) is
1.9244 cm- 1 above d Jng(v=J, N=l). . g
gRefers to n-(N=l). n+(N=l) is at 5471.70 cm-l above
e Jr::(v=O, N=O). The rotational levels are very irregular,
only partly on account of .t.-uncoupling.
hFrom (24). (2) give we= 2395.2, wexe = 64.2, B0 = JO.O.
According to (24) the v=O levels may be spurious. If so,
.only v=l remains with B1 = 28.7 2 •
1
weye = + 2.4o s calculated from the N=O levels of (24).
3
.LH
2
(continued)t
jsee e p. 241 •
kThe fine structure in the N=l levels of both ortho- and
para-H 2 has been observed in microwave-optical double
resonance by (127) who give Ae = 0.0281 as well as spin-
spin coupling constants. For para-H 2 ,v=O, N=l the three
component levels J=l, 2, and 0 are at -0.01241, -0.00695,
and +0.07197 cm- 1 , resp •• For ortho-H 2 the hyperfine
structure has also been studied.
!Constants refer to Jn-. Jn+ is strongly perturbed, i.e.
the A-type doubling is fairly large and irregular (7).
mw y = + o.88.
e e J +
nBreaking-off of P and R branches ( Il ) above v'=J on ac-
count of predissociation. Breaking-off of Q branches
(Jn-) for V'=7, 8 above N=l on account of preionization
(9).
0
Lifetime 63 ns (81)1 see, however, {118) who give Jl ns.
PLower component of N'=l (iJil) or 2 {jJA) relative to the
(non-existent) N"=O level of cJn.
~eYe = - 0.433.
rThe T (v 00 ) v~lue is derived from singlet-triplet anti-
0
crossings in a magnetic field ( 1J4) {140) ·and corresponds
to v=O, N=O. It agrees fairly well with 9507J. 2 obtained
from the energy of a Jr;~ ( v=O, N=O) below the ionization
limit, 29J44 ! 2 cm- 1 (9), combined with the new value
of I.P.(H 2 ). (24) gives T0 = 95226 without explanation;
the most recent theoretical value is 95077.J (150). The
Te value in the table takes a~count of Y00 in both upper
(Y 00 = 4.9 2 ) and lower state.
sweye = + 0.92. Precise ab initio potential function
(incl. diagonal corrections) and predicted vibrational
levels in {67). Except for a constant shift, the latter
agree well with the observed levels {24).
tLifetime rr(v=O,l) = l0.4 ns (111)(149).
5
uReproduction in MOLSPEC 1, Fig. 12.
vA = - 0.1249 cm-1 (1J5){1J8). Te takes account of Y00 in
both upper (Y 00 = 4.1 8 ) and lower state.
w
weye = + 0.552.
~heA-type doubling is quite small (""0.5 cm- 1 forN=6);
the constants refer to the average. The triplet splitting
in N=2 of para-H 2 has been fully resolved in molecular beam
experiments of (28) yielding Av(J=2-l) = 0.16438, Av(J=2-J)
=·0.19674 cm- 1 with J=2 at the top. The hyperfine structure
in N=l,J=2 of ortho-H 2 is Av(F=J-2) = 0.0236, Av(F=2-l) =
o.0154 cm- 1 as quoted by (J2). (18) give spin splittings
for N = 1,2,J,4,5 without resolving J=N+l from J=N-1.
YThe levels of c Jn~ are strongly predissociated by the
b Jr;~ state ( 60) ; the levels of c .3n~ ·are either very weak-
ly affected by a forbidden predissocia tion to b Jr;~ ( JJ)
(J6) or decay radiatively (by magnetic dipole radiation) to
the b 3r;~ state as suggested by the lifetime measurements
of (117), '((v=O) = 1.02 ms independent of spin component
and isotope. {1J9) observed quenching of c 3n~ in an elec-
tric field. The Stark effect is large (cv10 4 times greater
than for the ground state) and has been studied experimen-
tally by (160) and compared with the theoretical values of'
(145).
zThis number, obtained from v 00 (a-X) + v 00 (e-a) + v 00 (g-e)
- v 00 {g-c), is 87 cm- 1 higher than given in MOLSPEC 1, a
change made necessary by the work of (47). See also r
243
 244
State w
e
Lil x
e e Observed Transitions References
Design. J v 00

1H2 (continued)
Several excited states above the ionization limit, established by electron impact studies (164)(165)
and leading to two excited atoms or H + H+.
Continuous absorption above Nl30000 cm-1 a. (38) (49)
v'=O Rydberg series of rotational levels observed in low temperature absorption from X 1 r:+, g
v"=O, J"=O and 1 and
converging to
levels of npT 1 n: (n = 6, ••• ,32, joining on to c, D, D', D")b1} (85)(98)
N=2 of H2+ s {vJ==l R(O) lines (para-H 2 )
124591.5° - R/(n+0.082) 2 • Similar series with v' = l, ••• ,6d. {114)*
levels of np'l'r 1 n~ (n = 6, ••• ,43, joining on to c, D, D', D")e;l

!
+1
~=~ 124476.0° - R/(n+ 0.082) 2 • Similar series with v• = l, ••• ,5. J Q(l) lines (ortho-H 2 )
(85)(98)
(114)*
N==l of H
2
J=O levels of npo 1 r:~ (n = 5, ••• ,19, joining on to B, B', B") 9 1
} P(l) lines (ortho-H 2 ) {98) ( 114) *
v = 124476.0° - R/(n- 0.203) 2 • Similar series with v' = l, 2, J.
J=l levels. of np6' 1 r:~ (n = 5, ••• ,40, joining on to B, B', B")b:
N=O of Hz + • {
v = 124417.2° - R/(n-0.203) 2 • Similar series with v• = l, ••• ,6d. } R(O) lines (para-H 2 ) ( 8 5) ( 98) -
(114)*
State causing ion-pair formation after excitation of higher Rydberg states; also responsible {129)(155)
for perturbations in B' 1 E~. Correlates at small r with B" lL+, forming a double-minimum state (16J).
D" 1 nu 5p'l'r 121211.0f 2Jl9.92f 63.041 30.7/h 1.4.Sg (J) {1.04J D"+-X, R 120176.0f (46)(73)
D' 1 nu 4p'll 118865.Jf 2329.97f 6).140 29.8 9 ih 1.lli [2.5] 1 1.058 D'+-X, R 1178J5.2f ( 40) {46 ) ( 7 J)
sj 1 6g 4d8[(119893)] Only v=O observed. [(28.S)]k [(1.07 8 )] S"B, v (27510).t (1)(24)
Om 1 E; 4s6[(119870)] Only v=O observed. [ ( 32)] [ ( 1. o2 )] O-+ B, V ( 27487 )n (1)
Ro 1 ng 4d~ (118688) [2142]P [(30)]k [(1.0 6 )] (R~C) (18488) (1)(24)
R-+ B, V (27J76)q
Pr 1 r:; 4d6 [ll95Jl] Only v=O observed. [(JO) Jk [ ( 1. 0 ) J
6 (P-+ C) 18260 (1)(24)
P-+B, V 27148s
Tt lr;+g [119512.6] Only v=O observed. [ ( 25.4) J [ (1.148 ) J T-+ B, V 27130.1 (1)(24)
aTheoretical and experimental values for the ionization hRKR potential function in (72).
probability into the various vibrational levels of H +
2 !
i Re f ers to TI - fe = - o. 53. TI + is
. perturbed, B ( TI +)
0
are given by (50)(71)(75)(147) and (68)(76), resp •• The .31.09 , B1 (n ) = 29.165.
5
ionization cross section near the ionization limit has J4F of (24), 4 1 X, of (1).
been studied at high resolution by (62)(63). See also kThe states P, R, s form ad complex with strong uncoupling.
( 168). As a result the constants given have only limited meaning.
bFor high n there is strong t-uncoupling and the two series 1The two J=2 levels are observed at 27631.3 and 27732.9 cm- 1
above J=O, v=O of~ 1 E~ (24). The v 00 value given is an ex-
of 1 Lu+ and 1 nu + levels of para-H should be called npO and
2
np2, resp., corresponding to the fact that the first con- trapolated average for J=O and, because of the uncoupling,
verges to N=O , the second to N=2 of H2+ • There are strong is rather uncertain.
systematic perturbations between the J=l levels of these m4lo of (1), not given by (24).
two series (because of 1-uncoupling) so that the formulae nFrom R(O) and P(l) according to the data of (1).
0 1
as given do not represent the series very well. An accu- 4 B of (1), 4E of (24).
rate representation can be obtained by Fano's quantum de- PRefers to 1 n-.
fect theoryi see (114). Levels of np~, 1 n+ above N=O of qThe two J=l levels are observed at 27385.8 and 27487.1 cm-1
u
H2+ are preionized resulting in asymmetrically broadened above J=O, v=O of B 1 E~ (24). The v 00 value given is an ex-
absorption lines with apparent emission wings. trapolated average for J=O and, because of the uncoupling,
cLimits of Rydberg series above v"=O, J"=O. is rather uncertain.
d(l55) have observed Rydberg levels with v = 9,10,11 in the r4 1 c of (1), 4D of (24).
study of ion-pair formation. sThe J=l level is observed at 27207.62 cm- 1 above J=O, v=O
eThese two series of ortho levels are essentially unper- of B 1 L~. The value given for J=O is extrapolated and, be-
turbed. cause of the uncoupling, is rather uncertain.
fAverage of rr+ and n-. v 00 referred to {N'=O}. t4 1 K of (1), doubly excited state.
g Re f ers t o II-•, n+ is
. per t ur b e d , B ( IT +) = JO. 1 7 8 , B ( TI +)
0 1
31. 370.

245
 246
State Te w wexe Be «e De re Observed Transitions References
e
( 10- 2cm- 1 ) (i) Design. l voo

I H2 (continued)
1
B" E~ 4p6' 117984.5 2197.50 68.136 26.68ab l.19a [J.4] 1.1198 B"~ X, R ll6886.9C (40)(46)(73)
(106)*
N lE+ d (116287) [1983.3] [(18.4)] [ ( 1. 35) J N-+ B, R 24896.4 (1)(24)
g
u (lE+)
g
d [116707.7] Only V=O. [(18.8)] [(l.33)] U-+ B, e R 24325.1 (1)(24)
M lE+
d (114485) [2176.0] [(13)] [(1.60)] M-+ B, R 23190.of (1)(24)
g
L lI:+g d (114520) [(1835)] [(9.7)] [ ( 1. 86) J L-7B, R 2J054.8f (1)(24)
1
Hg E+ Js6' 113899 2538 124 [(29.5)] [(l.o65)J H-+C, R 1J866.6h
g H-+ B, v 227.54.1 (1)(24)
D lnu 3p,-r 113888.7 2359.91 68.81/ 30.296jkb l.42j 2.01 l. 1. 0.508 D-7E, R 1J709.7 ( 11) ( 24)
D~X,m R 112872.Jn (40)* (46)
(73)(106)*
J lA
g 3do (113550) 2341.15° 63.23° J0.081° i.71 80 1.890 1.0546 J-7C, q R 13435.6~ (1)(24)
J-+B, V 22322.5
Ir ln 0 78.4lor 6
1.584 0 1.800 Is-+ C, R t
g 3d'll" ( 11)142) 2259.15 29.259° 1.0693 12982.5t (1)(10)(24)
I-+ B, v 21869.5
Gu 1 E+ JdG' 112834 2343.9 55.9V [(28.4)]w [(l.085)] Gw-7C, R 12722.2~ (1)(24)
g G-+B, x v 21609.2
Kz(lE+) (112669) [2232.59] JO [10.a] [l. ?6] K-+ C, R 12538.6
g K-7B, R 21425.4 (1)(24)

1H : aRepresenting only B0 and B1 • The Bv curve has a positive
2
curvature for low v and a strong negative curvature for
high v. (46) gives Bv = 27.1.3 - 2.J5(v+t) + 0.66.5(v+i) 2
- o.0729(v+i) 3 •
bRKR potential function (72). Ab initio pot. function (163).
cDeperturbed value from (40). The observed value for J=O
(perturbed by B'(v=4)] is 116885.6 according to (40) and
11688.5.J according to (46), while in the more recent paper
(?J) gives 116882.00.
dAll these states are considered as doubly excited states by
(24). They may well form one or two double-minimum states
(similar to E, F) together with H 1 E~.
1H (continued)•
2
eThis is the A4142.8 progression of (1) as revised by (24).
fThese values agree with (24)1 (1) gives 23057.22 and
23191.66 for Land M, respectively.
g)lO of (1).
hFrom R(O) of the 0-0 band and F(l)-F(O) as given by (1).
The basis for 22751.6 in (1) is not clear.
1 + l.027 (v+i)J- o.o420 (v+i) 4 1 the vibrational constants
4 2
(7J) refer to the average of n+ and n-. See also k
jfe = ~ 0.0251 the rotational constants (40) represent only
the levels v=O, 1, 2 of n-. The n+ levels are strongly .
perturbed by the B' state which also causes the predissoci-
ation of 1n+ for v·~ Jr see k. (46) gives for the deper-
turbed values
Bv(n+) = J2.5 1 - 2.oo(v+i) + o.071(v+i) 2 - o.oo4o(v+j-)3,
2
Bv(n-) = J0.8 1 - l.96(v+i) + o.102(v+i} - o.005J(v+i)J.
kstrong predissociation for v·~ Jr no bands with v·~ J have
ever been observed in emission. In absorption strongly
broadened lines with apparent emission wings (Beutler-Fane
shapes) in n 1 n:~x 1 t; (l06)s line widths of 4 and 11.5 cm-1
ted for by interaction with the continuum of B11
t; (
( 108)(112) • widths for n 1 n~ +- x1
t:
for J=l and 2, resp., have been observed (103) and accoun-
Q) lines are much
(105)
smaller. LYrx, fluorescence as a result of prediss. (6J)(82)
(97). Electric field induced component of prediss. (92).
tFrom (40)J. (46.) gives Dv(Il+) = O.OJ3 + O.OOlO(v+i), Dv(ll-) =
0.0283- o.0012(v+i).
mRKR Franck-Condon factors (89). Absorption coefficients of
D+-X bands (38). Oscillator strengths r 00 = 0.00614 , t
0.0109 (142).
nAverage of n+ and n- extrapolated to J=O. The A-type doub-
ling for v=O, J•l is 4.2 cm-1 with n+ above n-.
0
These constants (58) refer to n- and A- and take into ac-
count the effects of t-uncoupling in the d complex accor-
ding to the formulae of (5J). They cannot be used to derive
energy levels without the use of these formulae. The ob-
served levels are given in (24).
PRefers to J=2 of A- at 10.8 cm-1 below J=2 of A+.
qThe forbidden 1 Ag ~ 1 E~ transition occurs because of strong
· uncoupling in the upper state. Only Q branches are observed
in these bands.
rJlB of (1), JE of (24). (J9) and (41) predict a fairly high
(0.4 eV) maximum in the potential function of this state.
szeeman effect studies (20) yield g(v=O,J=l) = o.49 8 , g(v=O,
J=2) = o.412, etc.a lifetime ~(v=O,J=2)= JS ns (119), see~
tReferred to J'=l of r 1 n-1 J=l of Illl+ is 62.32 cm-l higher.
u3lc of (1), JD of (24).
vNo levels higher than v=J have been observed which suggests
that the dissociation limit is 1 2s + 22 s, 2P atl18J77.6 cm-~
The constants represent only v=0,1,2.
wThis value (1) does not represent the low rotational levels
·
because of t-uncoupling, e.g. the J=l level is below J=O.
The _actual levels are given in (24). Hyperfine structure
for v=l,J=lf A= 1.0 ! 0.17 MHz {1J6). Large Zeeman split-
tings corresponding to the strong L-uncoupling (20), g(v=O,
J=l) = 0.901, g(v=O,J=2) = 0.571, etc.a see also (llJ).
Lifetimes from Hanle effect observations (119)1 ~(v=O,J=l)=
27 ns, ~(v=O,J=2,3) = J9 ns.
xThe G-+ B system gives rise to the strongest lines in the
= visible region.
20
YReferred to J'=O which, because of t-uncoupling, has an
anomalous position.
zJ 1K of (1), probably due to (2so) 2 •
247
 248
State Te w wexe B
e «e De re Observed Transitions References
e
(lo- 2cm- 1 ) (i) Design. l voo

I H2 (continued)
Q (ln ) a (11Jl6J) [742] [(16.J)] [(l.4J)] Q-+-B, R 21151.1 (4)( 24)
g
B' l!:+ Jp6' 111642.8 b 8J.406c e 2.781d [i.2i B' -+E,F 11311.5g (34)
u 2039.52 26.705 1.1192
B'~ X, h R 110478.2 ( 40) ( 44) ( 46)
pi} {2p62
lI:+
1009llj [1199]i B4 = 6.24k r 4 = 2.31 k
5
F-+B,1. R V4 0=1)6J5.l (14) (34)
Ei g 2s6' 100082.Jm 2588.9m 1J0.5m J2.68m l.818m [2. 28]m 1.0118 E-+B, 1. v 8961.23 ( 8) ( 22) ( 24)
(34)
p n
c ln u 2p'rr 100089.an 2443.77 69.524°P Jl.3629 l.6647q 2.23r 1.03279 Cst-+X, t R 99120.17 (12)(.37)(44)
I Werner b. (129)

8Fragmentary, possibly (2p~)(2p11).
bTakes account of Y00 in both upper and lower state. Y00 =
15.J cm- 1 is rather uncertain and depends strongly on the
number of levels included. see d.
c+ 3.533(v+t).3- 0.9J750(v+-t) 4 1 these are the constants of
(4o)[except Tewhich is taken from (129)], they apply only
to v=0, ••• ,4. (73) gives a very different set of constants
based on seven levels v=0, ••• ,6. The 8G curve (in H2 , HD,
and n2 ) has a characteristic tail which makes representa-
tion of the higher vibrational levels by a conventional
formula meaningless (40)(129).
d+ o.54o(v+i) 2 - o.091 (v+t)J; these constants (40) repre-
7
sent only the first five (deperturbed) Bv values. If only
2
three levels are .used Bv = 26.J71- l.9000(v+-!) - o.005o(v+-!)
leading to a very different Y00 value (J.6) from the one
used here (see b).
eRKR potential functions (44)(72). A very slight maximum of
the potential function at 2.9 i has been predicted by (156)
but not confirmed in the calculations of (16J); see also
(151). The experimental data, while suggesting an anomalous
form of the potential function, do not indicate a maximum
fThe higher Dv values are quite irregular. (129). I
gFrom the 0-1 band of (J4)1 from T0 (B')-T 0 (E) one obtains
llJlJ.62·
hRKR Franck-Condon factors (89). Oscillator strengths f 10 =
0.0028, fJO = 0.0048 (142).
1Because of strong interaction the two states E [2 1x of (1),
2A of (24)] and F, in zero approximation lsS2so and (2p~) 2 ,
form a single state with two minima as first recognized by
(JO). The most detailed calculation of the potential func-
tion and the energy levels is that of {86) whose numbering
and AG(i) value for the F 1 ~: component has been adopted in
1H (continued) 1
2
the table. Accordirig to (86) v 00 (F-B) would be at 9146.8
cm-1 but v=0,1,2,J of F have not been observed. The obser-
ved v•4 level lies just below the potential maximum.
jFrom the observed v40 and the energy of v=4 above the
{outer) minimum as calculated by (86).
kVibrational numbering of (86). See 1 •
LFranck-Condon factors (1J7). Electronic trans.moment (88).
~hese numbers represent only the lower vibrational levels
near the inner minimum. Owing to the interaction of E and
F (see i) higher 6G(v+i), Bv, Dv values are irregular.
~he Te values for B and C include the effects of Y00 on
the zero point energies in both upper and lower states;
Y00 (B) = 8.7, Y00 (C) = 5.0 cm- 1 • On the other hand, the Te
value of c 1 nu and v 00 (c-x) exclude the term -BA.2 in the
energy formula, a term that is usually included to form
part of the effective potential energy. With this inclu-
sion and disregarding Y00 (44) gives Te = l0006J.42 and
v 00 = 99090.35 on the basis of older data for v=0 ••• 4 and
his own precise data for v=s ••• 13.
0
+ o. 7Jl2 (v+i) J - o. 0415(v+i ) 4 • These constants refer to the
(unperturbed) n- component and are based on an 8-level fit
to the data of (129) [v=0-4] and (J7) [v=5-7]. Somewhat
different constants are given by (44). Note, that the T9
values in (24) are too low by 8.4 cm- 1 (44). The constants
of (7J) are affected by not recognizing this error.
PTheoretical work (1J)(Z9)(43)(52)(61) has predicted, and
the analysis of the spectrum (40)(129) has confirmed, that
the potential curve of C 1 nu has a van der Waals maximum of
rvl05 cm-l above the asymptote near r= 4.8 R. Ab ~ po-
tential function (without diagonal corrections) and predic-
ted vibrational levels (67). RKR potential functions (44)
(72)J see, however, (124).
q+ o.0296(v+i) 2 - o.00296(v+-!)J. These constants refer to the
n- component (ll+ is strongly perturbed by B 1 E+)
u and. are
from an 8-level least-squares fit of the data of (129) [v=
0-4] and (J7) [v=5-7]. Somewhat discordant Bv values for
both u- and n+ (the latter after deperturbation) are given
by (37)(46)(129). The A-type doubling for v=O, J=l is 1.17
cm- 1 ; for other v, J as well as theoretical values see
(124) (lJl).
rfle = - 0.0007 4 •
8
Lifetime ~(v=0,1,2,J) = o.6 ns (66).
tRKR Franck-Condon factors calculated by (51)(89) and "mea-
sured" by (8J) (128) (lJO) who have also determined ·the depen-
dence of the transition moment on r. Ab initio calculation
of the latter by (88). Theoretical transition probabilities
and f values (88)(90)(91)(9)), experimental values (66)
(130)(142)1 f 10 = 0.059, f 20 = 0.060, fJO = 0.044, •••
Calculated transitions to the continuum of X 1 L; (120).
Selective enhancements of v=O and 2 of C 1 nu in Ar-H 2 mix-
tures have been studied by (55); similar enhancements have
also been observed in Kr-H 2 mixtures. For stimulated emis-
sion in the Q(l) and P(J) lines of the 1-4, 2-5, 2-6, J-7
Werner bands see (116)(121).
249
 250
State Te we wexe :Be ~ De re Observed Transitions References
(lo- 2cm-1 ) (~) Design.
l voo

I H2 (continued)
B
1
E~ 2p6 91700.0a 1J58.09 20.888b 20.0154 c l.1845d l.625e 1.29282 Bf~x,gh R 9020J.J5 (25)(77)(129)
Lyman b.
lI:+ i k
x g 1s 62 0 4401.213 121.J.36 60.85.30 3.0622j 4.711, 0.74144 Quadrupolem and (15)(48)
field-induced sp. • n (26)(56)(74)
Raman sp. 0 (2.3)(56)
RotationalP and (i7a)(21)
nuclear rf magn.reson. (17)(19)

asee n p. 249 •
b + o. 7196(v+i) .3 - o.0598(v+t >4 + o.00216(v+i) 5, Y00 = 8. 7;
from a least squares fit (129) to the first eight levels
as given by (25). (77) gives slightly different constants
based on the first five levels only. (7J) and (J7) have
observed levels up to v=J5 and J7, resp., very close to
the dissociation limit at 118377. 6 cm-1 (95). The disso-
ciation energy of the B 1 E~ state is 28174.2 cm- 1 •
cRKR potential functions (Jl)(44)(72)(89); see also (126).
Precise ab ~ potential function (incl. diagonal cor-
rections) and predicted vibrational levels (67)(152).
d+ o.1214(v+t) 2 - o.Oll?(v+t).3+ o.ooo4 6 (v+i) 4 , from a least
squares fit (129) to the first eight levels. (77) gives
slightly different constants based on the first five lev-
els only. For v ~ 8 there are. strong rotational perturba-
tions caused by interaction with C 1 nu• Only after deper-
turbation can meaningful Bv values for these levels be ob-
tained [see (129)]. For a theoretical discussion of the in-
tensities in the perturbed region see (lJl).
e - 2.16 x lo-J(v+i) + 2. 28 x 10-4 (v+! ) 2 - l.18 x io-5(v+-f) .3.
5 9 5
For individual Bv ·and Dv values see (25)(37)(129).
!Lifetime T{v=J ••• 7) = o.8 ns (66); 'l:'(v=8 ••• ll) = 1.0 ns
(111).
gFranck-Condon factors ·from RKR potential.s {51) ( 89); from
ab initio potential functions (64)(90)(91), including theo-
retical oscillator strengths; see also (167). J dependence
of Franck-Condon factors and transition probabilities (87)
(88)(102). Experimental Franck-Condon factors and oscilla-
tor strengths (57)(65)(69)(8J)(lJO)(l42)(157); Lfv•o =
0.29. Variation of transition moment with r (69)(8J){l57)
and, ab initio, (64)(88). Selective enhancements of v=J and
10 of B 1 E~ in an Ar-H 2 mixture, .first obsezw:ed by Lyman,
1H (continued) 1
2
have recently been studied by (55)1 similar enhancements
were also observed in Kr-H 2 mixtures. Stimulated emission
in the P branches of the J-10, 4-11, 5-12, 6-lJ, 7-13 Ly-
man bands (96)(99).
hA continuous spectrum corresponding to transitions to the
continuum of X 1 t; has been observed (94) and the inten-
sity. distribution found to be in agreement with calcula-
tions •. <9J) (120) have calculated transition probabilities
and the fractions that go to the continuum for v'=O ••• J6.
(80) calculated the continuous spectrum corresponding to
absorption from the ground state to the continuum of B1 t+.
1. J u
+ o.B12 (v+i) I these constants (56) represent only the
9 4
levels v=O,l,2,3. (25) has less accurate constants repre-
senting higher G(v) values. The "true" we (including Dun-
ham corrections) is 4403. 2 (48). The zero-point energy
. (Y 00 = 8.9 included) is 2179.2 7 cm-1 (27).
3 2
J + o.057 (v+i) - 0.005 (v+~.)31 these constants (56) repre-
7 1
sent only Bo ••• which are the best known Bv values. (74)
3
from the field-induced spectrum give a very slightly dif-
ferent B0 (59.334 versus 59.336 2 )1 see also (104). The
3
formula
Bv = 60.863 - 3.0763 8 (v+i) + o.0601 cv+i) 2 - 0.0048 1 (v+-!-)3
5 7
of (25) holds up to v=8. Higher Bv values (25) require
higher and higher terms in the formula. All the constants
given are Y01 ••• Y values1 (48) have introduced Dunham
31
corrections and give the "true" Be= 60.867 • According to
9
(16) the hyperfine .levels F=l and 2 for J=l,v=O are l.823x
1
10-5 and 2.005 x 10-.5cm- below the F=O component.
kRKR potential functions. (Jl) (35) (42), see also (100) 1 ab
initio potential functions (141)(15J). Rotational and vi-
brational levels calculated from the latter are given in
(153)1 see also (59)(70). (59) include some of the quasi-
bound levels above the dissociation limit [see also (78)]1
for their experimental observation see (25)(162). Recent
comparisons between ab.initio calculated and observed
energy levels ( 115) ( 144) ( 1.58) ( 159) •
2
J, - o. 0027 (v+i) + o. 0004 (v+i ) 1 Hv = [ 4. 9 - o. 5(v+i) J x 10-51
0
from (48), see also (56).
m(48) give absolute intensity measurements of the quadrupole
rotation-vibration spectrum (l-0, 2-0, 3-0) as well as cor-
rections for pressure shifts; see also (125)(143)(169). De-
pendence of quadrupole moment on r (43). Predicted intensi-
ties in the rotation-vibration spectrum (84), in the rota-
tion spectrum (110). Predicted lifetimes of rotation-vibra-
tion levels (166), e.g. ?:(v=l,J=l) = 1.17 x 10 6 s.
llirhe rotation and rotation-vibration spectrum has been ob-
served in pressure-induced absorption, see the review by
( 122).
0
Raman cross sections (148).
PRotational g factor gJ = o.88291.
251
 252
1H (continued) 1
2
(1) Richardson, "Molecular Hydrogen and Its Spectrum", Yale (28) Lichten, PR 120, 848 (1960); 126, 1020 (1962).
University Press (1934). (29) Mulliken, PR 120, 1674 (1960).
(2) Richardson, Rymer, PRS A 11Z, 24 (1934). (JO) Davidson, JCP l.2, 1189 (1961).
(3) Richardson, Rymer, PRS A 11Z, 251 (1934). (Jl) Tobias, Vanderslice, JCP 12, 1852 (1961).
(4) Richardson, Rymer, PRS A~' 272 (1934). (J2) Frey, Mizushima, PR 128, 2683 (1962).
(5) Dieke, Blue, PR !±1, 261 (1935). (33) Lichten, BAPS 1, 43 (1962).
(6) Dieke, PR 48, 606 (1935). (J4) Porto, Jannuzzi, JMS 11, 379 (1963).
(7) Dieke, PR 48, 610 (1935). (J5) Weissman, Vanderslice, Battino, JCP J.2, 2226 (1963).
(8) Dieke, PR .2.Q, 797 (1936). (J6) Chiu, JCP 40, 2276 (1964).
(9) Beutler, JUnger, ZP 101, 285 (1936). (37) Namioka, JCP 1Q, 3154 (1964).
(10) Dieke, Lewis, PR ..2,g, 100 (1937). (38) Cook, Metzger, JOSA .2!:,, 968 (1964).
(11) Richardson, PRS A 160, 487 (1937); 164, 316 (1938). (39) Mulliken, PR A 1.12, 962 (1964).
(12) Dieke, PR .,2t, 439 (1938). (40) Namioka, JCP 41, 2141 (1964).
(13) King, Yan Yleck, PR _22, 1165 (1939). (41) Browne, PR A l.l§., 9 (1965).
(14) Dieke, PR .z2, 50 (1949). (42) Ginter, Battino, JCP 42, 3222 (1965).
(15) Herzberg, CJR A 28, 144 (1950). (43) Kolos, Wolniewicz, JCP ~' 2429 (1965).
(15a)Cunningham, Dieke, Report No. NY0-692, Johns Hopkins Univ., (44) Namioka, JCP ~' 1636 (1965).
Dept. of Physics (1950). (45) Wright, Davidson, JCP ~' 840 (1965).
(16) Ramsey, PR~' 60 (1952). (46) Monfils, JMS 1j, 265 (1965).
(17) Kolsky, Phipps, Ramsey, Silsbee, PR .§2, 395 (1952). (47) Gloersen, Dieke, JMS 16, 191 (1965).
(17a)Harrick, Ramsey, PR 88, 228 (1952). (48) Fink, Wiggins, Rank, JMS 18, 384 (1965).
(18) Foster, Richardson, PRS A~' 433 (1953). (49) Samson, Cairns, JOSA _22, 1035 (1965).
(19) Harrick, Barnes, Bray, Ramsey, PR .2.Q, 260 (195J). (50) Dunn, JCP 44, 2592 (1966).
(20) Dieke, Cunningham, Byrne, PR ..2£, 81 (l95J). (51) Halmann, Laulicht, JCP 44, 2398 (1966); 46, 2684 (1967).
(21) Barnes, Bray, Ramsey, PR~' 893 (1954). (52) Rothenberg, Davidson, JCP 44, 730 (1966).
(22) Porto, Dieke, JOSA !±2, 447 (1955). (53) Ginter, JCP !±2, 248 (1966).
(2J) Stoicheff, CJP l.2, 730 (1957). (54) Hunter, JCP !±2, 3022 (1966).
(24) Dieke, JMS ~' 494 (1958). (55) Takezawa, Innes, Tanaka, JCP !±2, 2000 (1966).
(25) Herzberg, Howe, CJP J1, 636 (1959). (56) Foltz, Rank, Wiggins, JMS 21, 203 (1966).
(26) Terhune, Peters, JMS J, 138 (1959). (57) Geiger, Topschowsky, ZN 21 a, 626 (1966).
(27) Herzberg, Monfils, JMS j, 482 (1960). (58) Ginter, JCP 46, J687 (1967).
 1H (continued)&
2
(59) Waech, Bernstein, JCP 46, 4905 (1967).
(60) Herzberg, SL 16, 14 (1967).
(61) Kolos, IJQC 1, 169 (1967).
(62) Chupka, Berkowitz, JCP 48, 5726 (1968)1 21, 4244 (1969).
(6J) Comes, Wellern, ZN _g] a, 881 (1968).
(64) Dalgarno, Allison, ApJ ~' L95 (1968).
(65) Haddad, Lokan, Farmer, Carver, JQSRT ~' 1193 (1968).
(66) Hesser, JCP 48, 2518 (1968).
(67) Kolos, Wolniewicz, JCP 48, 3672 (1968).
(68) Villarejo, JCP 48, 4014 (1968).
(69) Hesser, Brooks, Lawrence, JCP ~' 5J88 (1968).
(70) Kolos, Wolniewicz, JCP ~' 404 (1968).
(71) Villarejo, JCP ~' 2523 (1968).
(72) Monfils, BCSARB (5) ..21:., 44 (1968).
(7J) Monfils, JMS _gj_, 513 (1968).
(74) Brannon, Church, Peters, JMS ~' 44 (1968).
(75) Nicholls, JP B 1, 1192 (1968).
(76) Turner, PRS A JQZ, 15 (1968).
(77) Wilkinson, CJP 46, 1225 (1968).
(78) Allison, CPL J, 371 (1969).
(79) Jeziorski, Kolos, CPL J, 677 (1969).
(80) Allison, Dalgarno, AD 1, 91 (1969) •
. (81) Cahill, JOSA 22_, 875 (1969).
(82) Comes, Wenning, ZN 24 a, 587 (1969).
(SJ) Geiger, Schmoranzer, JMS J,g, 39 (1969).
(84) James, JMS J,g, 512 (1969).
(85) Herzberg, PRL .fl, 1081 (1969).
(86) Kolos, Wolniewicz, JCP jQ, J228 (1969).
(87) Villarejo, Stockbauer, Inghram, JCP jQ, 1754 (1969).
(88) Wolniewicz, JCP 21, 5002 (1969).
(89) Spindler, JQSRT 2, 597, 627, 1041 (1969).
(90) Allison, Dalgarno, AD 1, 289 (1970).
(91) Allison, Dalgarno, MP 12, 567 (1970).
(92) Comes, Wenning, ZN £2, a, 406 (1970).
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(97) Mentall, Gentieu, JCP .,ig, 5641 (1970).
(98) Takezawa, JCP .,ig, 2575, 5793 (1970).
(99) Waynant, Shipman, Elton, Ali, APL 11, 383 (1970).
(100) Zhirnov, Vasilevskii, OS(Engl. Transl.)~' J52 (1970).
(101) Stwalley, CPL Q, 241 (1970).
(102) Becker, Fink, ZN 26 a, Jl9 (1971).
(lOJ) Comes, Schumpe, ZN 26 a, 538 (1971).
(104) Buijs, Gush, CJP 12_, 2366 (1971).
(105) Fiquet-Fayard, Gallais, MP 20, 527 (1971).
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p. 191. Colorado Associated University Press (1971).
(107) Sharp, AD£, 119 (1971).
(108) Julienne, CPL~' 27 (1971).
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Gerhard Heinrich Dieke". Wiley-Interscience ·(1972).
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(llJ) Freund, Miller, JCP 2£, 2211 (1972).
(114) Herzberg, Jungen, JMS 41, 425 (1972).
(115) Bunker, JMS 42, 478 (1972).
(116) Hodgson, Dreyfus, PRL 28, 536 (1972)1 PR A 2, 2635
(1974).
(117) Johnson, PR A 2, 1026 (1972).
(continued p. 255)
253
 254
State Te w we x e Be ore De re Observed Transitions References
e
(lo- 2cm- 1 ) (i) Design. I voo

IH2H µ = o.671711J7 0
D0 = 4.51J8J eVa I.P. = 15.44466 eVb NOV 1976 A

k Jn 4p'IT' (118J84.2) 20J0.56 50.J6C 22.548 0.951 0.92 1.0550 k-+a, R 22295.24 (7)
u
d Jn 2054.59d 49.74e 22.a1odf 1.020 [1.16] 1.0489 d-+a, R 16640.6 (2)
u Jp'IT (112717-4) Fulcher {ex) b.
e JE+ Jpo (107776. 6 ) 1905.17 51.7og 20.766 1.010 [0.89] 1.0993 e-+a, R 11624.6 (1)
u
a JE+ 2s6 (95947.l)h 2J08.44 53.77i 25.685 1.099 [1.28] 0.9885 {a- X) {95201.5)h
g
c Jn 2pir No constants of this state have yet been determined.j
u
b JE+ 2p6' Repulsive, lower state of hydrogen continuum. a-+b
u

1H2Hs aJ64o6.2 cm- 1 , from (29). From ab initio calculations (21) gweye = + 0.522, w0 ze = + 0.091.
obtain )6405.5 cm-1 , including a very small non-adiabatic h.rhe energy of none of the triplet states above X 1 E:{v=O,
correction by (51). J=O) has yet been experimentally established. The Te value
bFrom the Rydberg series of {J6) and corrected for pres- in the table is the average of those of H2 and D2 i the elec-
sure shift, see (J4). tronic isotope shift is fairly large. T0 is calculated from
cw y = + 0.6968. this Te value taking account of Y00 = J.8 • The theoretical
5
dR:f:rs to Jn-; Jn+ is strongly perturbed. Te = 95950 cm- 1 is based on the observed dissociation limit
eweye = + 0.58. .and De from (17).
.we y e = + 0.60 •
1
fThe A-type doubling is large and irregular (1). Breaking-
off of P and R branches for v' >Jon account of prediseo- Jsee footnote Y on p. 24J ( 1H2 ).
ciation (2).
1H (continued) 1
2
(118) Marechal, Jost, Lombardi, PR A j, 732 (1972). (144) Orlikowski, Wolniewicz, CPL 24, 461 (1974).
(119) Van der Linde, Dalby, CJP jQ, 287 (1972). (145) English, Albritton, JP B ~' 212) (1975).
(120) Stephens, Dalgarno, JQSRT 12, 569 (1972). (146) Ford, JMS 2..Q, 251 (1975).
(121) Waynant, PRL 28, 533 (1972). (14?) Ford, Docken, Dalgarno, ApJ 12..2, 819; 200, 788 (1975).
(122) Welsh, in MTP Review of Science, Phys.Chem. Ser. 1, Vol. (148) Harney, Randolph, Milanovich, ApJ 200, Ll79 (1975).
J, p. JJ (1972)s PC J..Q, 84 (1974). (149) King, Read, Imhof, JP B ~' 665 (1975).
(12J) Freund, Miller, Zegarski, CPL £1, 120 (197J). (150) Kolos, CPL J.!, 43 (1975).
(124) Julienne, JMS 48, 508 (197J). (151) Wolniewicz, CPL J.!, 248 (1975).
(125) Margolis, JMS 48, 409 (197J). (152) Kolos, Wolniewicz, CJP jJ, 2189 (1975).
(126) Stwalley, JCP 2§., 536 (197)). (15J) Kolos, Wolniewicz, JMS ..2f, )OJ (1975).
(127) Freund, Miller, JCP 2§., 2)45, 3565; ..22,, 409), 5770 (1973). (154) Miller, Freund, JCP 62, 2240 (1975).
(128) Schmoranzer, Geiger, JCP j2, 6153 (197J). (155) Chupka, Dehmer, Jivery, JCP .§1, 3929 (1975).
(129) Dabrowski, Herzberg, CJP jg, 1110 (1974). (156) Ford, Browne, Shipsey, DeVries, JCP .§1, 362 (1975).
(lJO) Fabian, Lewis, JQSRT 14, 523 (1974). (157) Schmoranzer, JP B ~' 11)9 (1975).
(lJl) Ford, JMS jJ, 364 (1974). (158) Dabrowski, Herzberg, CJP ..2f, 525 (1976).
(132) Freund, Miller, JCP 60, 4900 (1974). (159) Bishop, Shih, JCP 64, 162 (1976).
(1J3) Miller, Freund, Zegarski, JCP 60, 3195 (1974). (160) Kagann, English, PR A.!], 1451 (1976).
(1J4) Miller, Freund, JCP 61, 2160 (1974); .§J, 256 (1975). (161) Bunker, unpublished.
(135) Jette, JCP 61, 816 (1974). (162) Herzberg, McKenzie, to be published.
(1J6) Melieres-Marechal, Lombardi, JCP 61, 2600 (1974). (163) Kolos, JMS 62, 429 (1976).
(1J7) Lin, JCP 60, 4660 (1974). (164) Crowe, McConkey, PRL J.!, 192 (197J).
(1J8) Jette, Miller, CPL £2,, 547 (19?4). (165) Misakian, Zorn, PR A~' 2180 (1972).
(1J9) Johnson, PR A 2, 576 (1974). {166) Black, Dalgarno, ApJ £21, 1)2 (1976).
(140) Jost, Lombardi, PRL .lJ, 53 (1974). (167) Lin, CJP jJ, JlO (1975).
(141) Kolos, Wolniewicz, CPL 24, 457 (1974). (168) Backx, Wight, Van der Wiel, JP B 2, 315 (1976).
(142) Lewis, JQSRT 14, 537 (1974). (169) Chackerian, Giver, JMS 2§., JJ9 (1975).
(14)) McKellar, Icarus 22, 212 (1974).

255
 256
State w we x e (Xe Observed Transitions References
e
Design. l v 00

1 2
H H (continued)
·
Ionization continua joining on to Rydberg series.a
Rydberg series of rotational levels observed in low temperature absorption from x1 E;(v=O) and converging to
+ {J=l (v=l) levels of np'fr 1 nu+ (n = 36 ••• 46)bc 1 R(O) lines
N=2 (v=l) of HD I 2 (36)
v = 1266o6.4d - RHD/{n+ 0.082) •
+ {J=l (v=O) levels of np'IT" 1 nu- (n = 6 ••• 23, joining on to C, D, D', D") 1
Q(l) lines (36)
N=l (v=O) of HD 1 2
v = 124613.3d - RHD/{n+ 0.082) • Similar series with v• = 1, 2, 3. I
+ jJ=l (v=O) levels of np6 1 E+u (n = 5 ••• 48, joining on to B, B', B")c1
N=O (v=O) of HD R(O) lines (36)
lv = 124568.6d - RHD/{n- 0.203) 2 • Similar series with v• = 1.
1

See 1 H2 • (42)(46)
[22.865]g [2.1] [1. 0477] R 120332.6:
D" ln u 5p'lf 121231.2°
121216. 3e 2006.17f 45.80lf [22.144] [l.J] [l.0646] D"-E- X,
120317.7 (13)(18)
D' 1 nu 4p~
f 47. Ol8i 22.J5jg [2.2]j 1.060 R 117984.7 (13)(18)
ll8879.2f 2014.91
B" 1 E: 4p5 117980.4 1896.60 48.924 20.341. [2.5] 1.111 B"':- X, R 117026.2 (1J)(l8)
M lE+g [115073] v=O (?) only. [10.4] [1.55] M-+B, R 22782.5 (4)

D 1 nu 3P'lf 11J901.7m 2039.13f 22.9 °g 1.047 D~X,r R 113018.84s (13)(18)

1
J
1 6 g Jdd (11J5J6) [1832.8]t J-+ B, V 22162. 3t (4)

I 1 ng 3d~ (113110) 1962.14° 22.36° 1.21 [0.7] 1.059 I-+ B, V 217 8 6. 2v (4)
G lE+ 3d6 (112843)
g
[1879.9], vibrational perturbations for v > o. u G-+B, R 21492.4 (4)

K (lE+) (112663) [(1981)], only fragmentary data. K~B, R (21363.2)w (4)

g
B'
1
r:~ Jp6 111649. 1 x I 1775·2 67.6 yu
6
I 20.0 zg
0 I [o.16]z I 1.120 B'~ X, r R 110632.58 (13)(18)(48)
1H2Ha across sections for photoionization into the various vi-
brational levels of HD+ and the adjoining continuum (dis-
sociative photoionization) calculated by (39)(44), obser-
ved by (37). Photoionization near I.P. studied by (12).
bExcept for n=2 ••• 51 (i.e. c ••• D") only the diffuse (pre-
ionized) members above n=35 have been observed. The cor-
responding v'=O series has not been found for n >5.
cThere are strong perturbations between npo 1 L:~ and np'!r
1
n~ similar to those in H2 , but in HD they have not yet
been studied in detail.
~he Rydberg limits are from (36) but corrected for pres-
sure shift1 see (34). The quantum defects, given only for
the Q(l) series by (36), are taken from the corresponding
series in H2 (34).
eLarge J=O splitting (18), ll+ above n-.
fAverage of n+ and n- which differ for HD much more than
for H2 and n2 •
gRKR potential functions (19).
~B 1 (Il+) = 22.618, B1 (n-) = 22.310.
1
w y = + 0.126 6 •
. e e +
JThe rotational constants refer to n-; Il is perturbed
(see c )1 B0 (n + ) = 22.289, B1 ( n+ ) = 21.901.
k
4e = - 0.05.
!The rotational constants represent B0 and B1 only; strong-
ly non-linear Bv curve.
my 00 not included. (18) gives 113900.7 •
5
nw e y e + 0.2171.
0
Refers to n-.
Pre = - 0.028.
~he Dv values show considerable scatter. The Hv values (13)
are hardly significant.
rFranck-Condon factors from electron energy loss spectra in
( 26).
sAverage of n+ and n-, extrapolated to J=O. The A-type doub-
ling for J=l, v=O is 3·5z cm- 1 with n+ above n-.
tReferred to J=2 of 1 A-.
uThere are two dissociation limits with adjoining continua
at 118665.9 and 118687.4 cm-1 corresponding to H(n=2)+
D(n=l) and H(n=l) +D(n=Z), respectively (29). It appears
(48) that the first limit corresponds to B 1 E~, E,F 1 E~,
and C 1 nu, while the second corresponds to B' lE+U'
G lt+
g'
1
and I nu; see also (J2). The C 1 nu state, unlike Hz or Dz,·
apparently does not have a potential maximum.
vRefers to J=l of n-; J=l of Il+ lies 28. cm- 1 higher.
0
wRefers to the J=l level.
Xirakes account of Y00 in the upper as well as in the lower
state. For the states B, c, and B' Y00 = 7. 1 , J. , and 2. 0 ,
7
respectively •
Yweye = + 3.66, weze - 0.6 1 five-level fit. All levels up
5
to the last (v=ll) have been observed.
zFive-level fit. The deviations for v>2 are large and irre-
gular because of numerous perturbat1ons. The Bv values of
(13) deviate by up to 1 cm- 1 from, those of (48) used here.
The latter are effective, non-deperturbed values. Higher Dv
values show considerable irregularities because of local
perturbations.
257
 258
State Te w
e we x e Be ae De re Observed Transitions References
(lo- 2cm- 1 ) (i) Design. l voo

I H2 H(continued)
Fa}lE+{2p62 100927.5b (1087.9)C (21.6)cd B1 = 4 • .50 rl = 2.36 E-+ B, v 8901.72 ( J) ( 48)
Ea g 2s6' 100120.4b 2204.4° 81.6e 24.568e 1. 288e [1. 2J] 1.0107 E,F~ X,f R 99J01.59g (48)*
ln J. C+-+- X, my R 99252.86
c 5J.Jli 2J.522j l.096k 1.0)29 (1J)(l8) (48)*
u 2p'll' l00092.9h 2119.65 1.49
Werner b.
B lI:+ 2p6' 91698.Jh 1177.16 15.59n 15.0?lj 0.820° o.882P 1.2904 B~X, qy R 90399.86 (2J)* (48)*
u Lyman b.
x 12:+ ls6 2 0 J8lJ.l5 91.65r 45.655 9 l.986t 2.60 u 0.74142 Rotation-vibration sp. v (10)(49)
g 5
Pure rotation sp. w (22)
Raman sp. (9)
Field- and (20)
collision-induced sp. (45)
Rf magn. reson. sp. x (5)(6)

1H2tt1 8The states E and F may be considered as forming one
double-minimum state. The potential maximum is at 104480
cm- 1 above X(v=O,J=O) (27). See also ion p. 248 ( 1H2 ).
bDerived by extrapolation of differences between observed
vibrational levels (48) and those calculated from the
double-minimum potential function of (27).
cFrom the theoretical energy levels assuming' an indepen-
dent {outer) potential minimum (48). The lowest observed
level is v=l and the observed intervals are 6G(J/2, 5/2,
7/2) a 1002.6, 956.0, 916.7, resp •• Higher levels show
the effects of interaction with E 1 t;.
See a
dsee u p. 2.57 •
eThese constants (J) are from the lowest vibrational levels
(v~ 2 of the inner minimum) neglecting the interaction with
the F state, see a.
fThis tr~sition, forbidden in H2 and n2 , is weakly allowed
in HD since the g,u symmetry is no longer rigorous.
&rhe 0-0 band has not been observed in VUV absorption but is
obtained by adding v 00 (E- B) (J) to v 00 (B- X). The first
observed VUV absorption band is at 100618.50 cm-1 and cor-
responds to the transition to the second lowest level in
the outer minimum (l-0).
1H2H (continued)a

hsee x p.257. Note, that the Te value for C 1 nu and r + 0.72J(v+i)J- o.013 (v+i) 4 + 0.0016 (v+i)5; ten-level fit.
3 5
v (c-X) exclude the term -BA2 of the rotational ener- The zero-point energy (Y 00 = 6.5 1 included) is 1890.2 6 •
00
gy expression. All levels up to the last, v=l7, have been observed. This
iw e y e = + 0.656, we z e = - O.OJJ; eight-level fit. Only Il- level lies 5.1 cm- 1 below the dissociation limit.
6
levels have been included in the fit since many of the Theoretical values for all bound and quasibound levels in
Il + levels are strongly perturbed by B 1 Eu.+ After deper- the ground state of HD are given by (Jl).
turbation the n+ levels agree fairly well with corres- t + o. 031 (v+i ) 2 - o. 0022 1 (v+i) Jr ten-level fit (48). Somewhat
5
ponding n- levels. Levels up to v=l5 have been observed; more accurate Bv values than used by (48) for v=0 ••• 6 have
this level is within 42 cm-1 of the lower of the two dis- been derived from the rotation-vibration spectrum by (49).
sociation limits, see u p. 257. uf>e = - 0.00054; Hv = 2.2 x 10-5 has been assumed.
jRKR potential functions (19). vThe transition moments for the 1-0, 2-0, J-0, 4-0 and 5-0
k+ O.OJ7(v+i) 2 - o.005 (v+i)J, eight-level fit of Bv values vibration bands are observed to be 5.0, 1.9, 0.80, o.42
3
of n-. and 0.2lx 10-5 D, respectively (40)(41)(43)(49); for theo-
J,
foe = - 0.0007 7 • retical discussions see {J8)(47)(50). In addition to the
mSelective enhancement of v'=O of C 1 n in Ar-H 2 mixtures electric dipole infrared spectrumone line of the quadrupole
studied by (15). Franck-Condon factors from electron component of the fundamental, S(O), has been observed (4J).
energy loss spectra (26). wFrom the rotation spectrum (22) have obtained .a dipole mo-
n + o.42 (v+i) J - o. 02 (v+~-) 4 + o. 0008 (v+i )5, fit of first
7 9
eight levels; all levels up to v=4J have been observed
ment in the lowest vibrational level of 5.8 x lo-4 D, or,
after a small correction for rotation (16), 5.5x lo- 4 D1
(48). see also (J8). Predicted IR emissivities in, the pure rota-
o + 0.116(v+~-) 2 - O. 0216 (v+i) J + O. 0024(v+i ) 4 - o. OOOll(v+i) 5; tion lines ( JJ )·.
eight-level fit, see n. xRotational magnetic moment for J=l o.662 µN (6)(8).
P~e = - 0.00050 • YTheoretical band oscillator strengths, transition probabi-
5
qSelective enhancement of v'=J .
and 5 of B 1 E+ u
in Ar-H 2 lities and photodissociation cross sections in (24).
mixtures studied by (15). Franck-Condon factors from
electron energy loss spectra (26), from fluorescence
spectra (25); large vibration-rotation interaction
effects (25)(28)(JO). References on page 261.

259
 260
State Te w we x e B (X
De re Observed Transitions References
e e e
(lo- 2cm- 1 ) (i) Design. J voo

1 3
HH µ = 0.75540394 D00 = (4.5269 4 ) eVa I.P. = (15.45146) eV b NOV 1976
k 3nu 4p~ (118384.8) 1915.05 44.67C 20.106 o.8638d o.86 1.0535 k-?a, R 22303.78 (2)
d 3nu 3p'Tf (112717.9) 1936.93 43.439e 20.219f o.823f o.812g 1. 0506 d~a, R 16648.1 0 (1)
e 3E~ 3p5 (107772.7) 1796.42 45.69h 18.3167 o.819i ·~o. 744j 1.1037 9 e-?a, R 11631.98 (3)
a k 47.84.t 22.819 0.9182m o.97n (a-X) (95243.5) 0
3E; 2s6' (95950.8) I 2177.01 0.98892
c 1 nu 2p1f' ( 100094. ) k (C- X) (99301. )P
7 1 5
B

x
lE+
u
lr;+
g
2p6'
ls6 2
(9169:·1)
k
I 3597.05q 81.678q 40.595 l.664or (0.74142)
(B- X) (90472.2)p

1HJii1 a36511.9 cm- 1 , from ab initio potential function (7)s non- kFrom the Te values of H2 and D2 assuming that the electro-
adiabatic corrections which are certainly less than +0.35 nic isotope shift is proportional to (1 - µH /µHT).
cm- 1 and Lamb shift corrections <~- 0.2 cm- 1 ) are not in-
! 2
weye = + 0.502, weze = - 0.015.
cluded. No observed value is available yet. mfe = + O. 0123.
hprom theoretical ng(HT) and ng(HT+) values and I.P. (H). nfoe = - 0.00038.
cw y + 0.527. °From Te assuming y 00 = o, but taking account of Y00 (see q).
d e e
re = + 0.0123. PFrom Te and the zero-point energy calculated by (6).
eweye + o.459, weze = - 0.036. qAll constants calculated by (5) from the potential function
fOe = + 0.0080; the rotational constants refer to 3n- of (4) and based on V=0,1,2,3 only. Experimental values are
since Jn+ is perturbed; the A-type doubling is somewhat not available. weye = + 0.575; Y00 = 5.7.
irregular and fairly large. r + o.0238(v+f!) 2 - o.0015(v+~-)3. See also q•
gA = - 0.00008.
h e
.weye = + 0.34, weze = - 0.060.
~oe - 0.0039.
Jfoe = - 0.00041.
lii3tt (continued)s (4) See ref. (43) of 1
H2.
(1) Dieke, Tomkins, PR 72_, 283 (1949). (5) Cashion, JCP ~' 1037 (1966).
(2) See ref. (15a) of 1H2 • (6) See ref. (67) of 1
H2.
(3) Dieke, Tomkins, PR 82, 796 (1951) (7) See ref. ( 70) of 1
Hz•
1H2H (continued)1
(1) See ref. (6)(7) of 1H2 • (26) See ref. (83) of l H2 •
(2) See ref. (5) of 1 H2 • (27) See ref. (86) of 1 H2 •
(3) See ref. (8) of 1H2 • (28) Allison, JCP j_g, 4909 (1970).
(4) See ref. (10) of 1H2 • (29) See ref. (95) of ·1H2 •
(5) Kellogg, Rabi, Ramsey, Zacharias, PR 2J..., 677 (1940). {30) See ref. (102) of 1H2 •
(6) Ramsey, PR ..2.§., 226. (1940). (31) Le Roy, JCP ~' 543J (1971).
(7) See ref. (15a) of 1H2 • (J2) Thorson, JMS J1, 199 (1971).
(8) Ramsey, "Molecular Beams", p. 239. Clarendon Press, (33) See ref. (110) of 1 H2 •
Oxford (1956). (34) See ref. (114) of 1 H2 •
(9) See ref. (23) of 1H2 • (35) See ref. (117) of 1H2 •
(10) Durie, Herzberg, CJP J.§., 806 (1960). (36) Takezawa, Tanaka, JCP ..2£, 6125 (1972).
(11) Blinder, JCP J..2., 974 (1961). (J7) Berkowitz, Spohr, JESRP ~' 143 (1973).
(12) Dibeler, Reese, Krauss, JCP 42, 2045 (1965). (J8) Bunker, JMS 46, 119 (1973).
(13) See ref. (46) of 1H2 • (J9) Itikawa, JESRP ~' 125 (1973).
(14) Kolas, Wolniewicz, JCP ~' 944 (1966). (40) McKellar, CJP 21, 389 (1973).
(15) Takezawa, Innes, Tanaka, JCP 46, 4555 (1967). (41) Bejar, Gush, CJP j_g, 1669 (1974).
(16) Karl, CJP 46, 1973 (1968). (42) See ref. (129) of 1H2 •
(17) See ref. (67) of 1H2 • (4J) McKellar, CJP j_g, 1144 (1974).
(18) See ref. (7J) of 1H2 • (44) See ref. (147) of 1H2 •
(19) See ref. (72) of 1H2 • (45) Prasad, Reddy, JCP 62, 3582 (1975); .£2, 83 (1976).
(20) See ref. (74) of 1H2 • (46) See ref. (155) of 1H2 •
(21) See ref. (70) of l H2 • (47) Bunker, JMS 61, 319 (1976).
(22) Trefler, Gush, PRL 20, ?OJ (1968)1 CJP !±1., 2115 (1969). (48) See ref. (158) of 1H2 •
1-
(23) See ref. (77) of H2 • (49) McKellar, Goetz, Ramsay, ApJ £Q.Z, 66J (1976).
(24) See ref. (80)(90)(91) of 1H2 • (50) Wolniewicz, CJP j], 1207 (1975)1 ~' 672 (1976).
(25) Fink, Akins, Moore, CPL~' 283 (1969). (51) Bunker, unpublished.

261
 262
State T
e w
e w x
e e Be ae De re Observed Transitions References
(lo- 2cm- 1 ) {.i) Design. 1 voo

2H2 µ = 1. 00705111 D00 = 4.55632 eVa I.P. = 15.46660 evb NOV 1976 A

u 3nu 6p'lr 122J65.6 1649.0J J5.1JC 15.0J6 o.587d 0.5J 1.0551 U-7 a, 26286.75 (6)
w ( Jng)5dir Fragment w->c, ( 6)
q cJr:;)5d6' Fragment q-tc, (6)
n Jnu 5pir 120976.9 1652.7J J4.25 9
15.040f o.56og 0.5J 1.0550 n->a, 24900.14 (6)
r Jng 4d~[(ll9J8o)] hi r-+ c, R (22650)h (6)
p Jr;+g 4d~ [119242] h
p-> c, R h (6)
22509.9
JJ.88j k 0.5661, k-+a, (6)
k Jnu 4pir 118J96.7 1658.85 15.075 o.46 l.05J8 22J2J.06
f Jr;+ 4p6 116640 1618 J2.8 14.66 0.62 1.069 f-+a, R 20546.o (6)
u
h
j J~g Jdo [114194. 1 ] j-+ c, v 17462.Jh (6)
i [1541.9] hm i-te, 5J20.on (15)*
Jng Jd'lr (113093) R
i-> c, R 17131. 9n (6)
g Jr;+ Jd6' (112856) [1511.J] h g-+ e, R 5067.8 (15)*
g
g-tc, R 16879.8 (6)
d Jnu Jp'll" 112729.8° 1678.22P 32.94q i5.200P 0.5520 [0.49] 1.0494 d-+ a, R 16666.o (1)
Fulcher b.
e Jr:~ Jp6' 107774.o 1556.64 J4.51r lJ.856 o.451 [o.4] 1.0991 e-+ a, R 11649.l ( 2)
a Jr:; 2s6' 95958.o 8s 1885.84 J5.96 8
17.109 0.606 [0.55] 0.9891 a t-+b,
(a-X) 95J48.1 8u (1)
(cw-X) x
c Jn u 2P'lf [9673i. 8J [15.J05]V [o.514 Jv [1. 0458] 95185.J (6)
b JI:~ 2po Lower state of continuous spectrum of n2 (a-+b).
aJ6748.9 cm- 1 , from the dissociation limit (beginning of
continuum) in the B • - X system ( 34). The same value has
been derived by (5J) from the last observed levels in the
ground state by relation$ involving the long-range be-
haviour of the potential function. 36748.2 cm-1 from ab
initio calculations (52).
bFrom the Rydberg limits of (54) after correction for
pressure shift (41).
cw y = + 0.627, uncertain.
d e e .
fe = + 0.008, uncertain.
eweye = + 0.627, uncertain.
fA-type doubling constant q(v=O) = 0.25 cm-1 (6).
gfe = + 0.035.
hstrongly affected by L-uncoupling, no constants given by
(6)1 v 00 roughly evaluated from their wave number data.
See also e and k p. 241 ( 1H2 ).
iAnti-crossings of r 3ng(v=0,N=2) with G 1 E~(v=4,N=2)
yielding orbital g factors and hyperfine structure (57).
jweye = + 0.508, weze = + O.OJ45.
kA-type doubling constant q(v=O) = 0.29 cm- 1 (6).
Loe = + 0.008, uncertain.
mAnti-crossings between i 3ng(v=l,N=l) and I 1 ng(v=l,N=l)
observed by (56).
~efers to n-(v=O,N=l)1 Il+(v=O, N=l) is at 5348.9 cm-1
above e JE~(v=O,N=O). The rotational levels are very irre-
gular.
0
Microwave optical magnetic resonance induced by electrons
(45) gives the following triplet splittings for v=O, N=l of
para-D 2 1 6v 10 = 0.04J01, 6v 02 = 0.00656, and of ortho-D 2 1
1
6v
02 = 0.08286, 6v 21 = 0.00402 cm- ·"; similar
1
splittings for
v=l ••• 5. (47) derive Ae = - 0.02809 cm-
PRefers to the 3rr- components Jn+ is strongly perturbed. The
A-type doubling is large and irregular (J); for v=O, N=l it
is O.lJ cm-l (47). Breaking-off of P and R branches for
v'> 4 on account of predissociation (l); see also (45).
qw e y e = + 0.24.
rweye = + o.287, weze = - o.o4.
sweye = + 0.34. Te takes account of Y00 in bot.h upper (Y 00
2.6 ) and lower state.
7
tLifetime ~(v=O,l) = 12. ns (42).
5
uFrom singlet-triplet anti-crossings (56)(57).
vFrom the assignments of (6) in the g- c, i- c, j - c,
bands by evaluating combination differences.
wLifetime ~(v=O) = 1.02 ms (42a), refers to the non-predis-
sociating component c Jn~ and corresponds to radiative
(magnetic dipole) transitions to b JE~; see Y p. 24J ( 1H2 ).
xFrom T0 of a JE: and the v 00 values for the transitions
e- a, g- e, and g- c.
263
 264
State w wx ~e Observed Transitions References
e e e
Design. J v 00

2
H2 (continued)
Ionization continua joining on to Rydberg series.a
v'=O Rydberg series of rotational levels observed in low temperature absorption from x1 E+(v=0)
g
and converging to
J=l levels of np'lr 1 n+ (n = 6 ••• 9, joining on to C, D, D', D")b;
N=Z of Dz + 1 { u z R( o) lines ( ortho-Dz) (54)
v = 1Z4833 - RD /(n+ 0.08Z) •
2.
J=l levels of npir 1 n~ (n = 6 ••• Z4, joining on to C, D, D', D")c;
N=l of Dz+ 1 { Q ( 1) lines (para-Dz) (54)
v = 1Z4775.0 - RD /(n+ 0.08Z)z. Similar series with v• = 1, z.
2.
1
N=O of Dz + l
J=l levels of np5 E~ (n = 5. .z5,36 ••• 45, joining on to B, B', B")b; R(O) lines (ortho-Dz)
{ v = 1Z4745.5 - RD /(n- O.Z03) 2• Similar series with v• = 1, Z. (54)
1
5 2.
13 ll::+u See Hz• I (48)(50)(60)
D" ln u 5p'IT 1ZlZZ7.5d 1648.6 8d 33.63 8 de 15.13/g [o.70 4 Jf D"~ X, R 1Z0497.od (14)(ZZ)(54)
D' ln u 4p'Tr l18887.9d 1653.15d JJ.35dh 15.04lig [O.JZ3Ji n·~ x, R l18159.7d (14)(ZZ)(54)
B" 1 L:+u 4 p6 117970.7 1J.685g [O.OZ4] 1.1060 B"+-X, R 117196.9 (14)(2Z)(54)
M lE+ g [114504.5] v=O (?) only, fragmentary. [4.o] [z.06] M-7 B, R ZZJZ4.Z (5)
J,
D ln u 3P'lf 113914.0 1667.60 JJ.J43 15.1 mg
1
0.5 n 1.053 D+- X, o R 113193.oP (14)(2Z)
I lrr g 3d'll' 113081.5 1600.14 J9.4Z 14.7J9qr [o.z5]q 1. 0657 v (5)
G lL:+g Jd6' (11Z893) [1440.8] (perturbed) tu G--?B, R 21433.2 (5)
K (lE+) (11Z610) [1660] [6.6] K-+ B, ( 21260) v (5)
g
lE+ 3 6 w 1451.98 B'~X, R 110815.65 (14)(ZZ)(48)*
B' u p 11164Z.z 13.60/
 across sections for photoionization into the various vi-
brational levels of Dz+ and the adjoining continuum (dis-
sociative photoionization) observed by (Z4)(43) and cal-
culated by (18)(Z6)(46)(51).
bSee the remarks in b p.Z45 concerning the corresponding
series of 1Hz• Note, however, that an accurate represen-
tation using Fano's quantum defect theory has not yet
been attempted for Dz•
cThis series of levels is obtained (54) from a Rydberg
series of Q(l) lines whose limit is at 1Z4715.2 cm-1 • A
similar series of Q(Z) lines with a limit at 1Z4654 cm- 1
converges to the N=2 level of Dz + ; also observed for V=l
and z. These series, unlike J=l of npo, 1 L~ and np~, 1 n~,
are essentially unperturbed.
dAverage of n+ and rr-.
ew y = + 0.3034 1 v = 0-5.
f e e + r
fe = + 0.0132 ; constants refer to IT-. For IT (54) give
9
Be=l6.19 8 , rxe=0.618 8 , oe=-0.0413 2 ; D0 =0.0078 •
5
gRKR potential functions (21).
hw y = + 0.226; a very small quartic term differs in
e e +
sign for IT and rr- (54); v = 0-7.
ide = + 0.0050 ; constants refer to rr-. rr+ is perturbed
3
by B" 1 L~, particularly for v=3 and 7. After deperturba-
tion, and excluding v=2,4,8, (54) obtain Bv(ll~ v=0-10) =
15.33 6 - o.496 6 (v+-!) - o.oo48 (v+~) 2 ; D0 (rr+) = 0.0075 6 •
9
jweye = + 0.084 , weze = - 0.0136 4 1 (22) gives slightly
3
different constants. There are strong perturbations which
make vibrational constants somewhat ambiguous.
kre = - 0.0173 6 • Strong rotational perturbations in v=4,
weaker ones in v=3, 5, and 9 caused by D' 1 n~ (54).
1. + 0.1698(v+!)3 + 0.00296(v+t) 4 - 0.000307(v+i)5; the vibra-
tional constants refer to the average of n+ and n- (ZZ).
mstrong predissociation for v:::: 4, not yet studied in detail
but (36) observe line widths of3.5cm-l for J=Z, v=4 ••• 7 of
Il+. (31) observe Ly~ of D in fluorescence as a consequence
of predissociation and find a noticeable increase of pre-
dissociation when an electric field is applied (field-
induced predissociation). Theoretical discussion (40).
nOe = - 0.00 2 , Dv irregular; the rotational constants
refer to n-.
°Franck-Condon factors from electron energy loss spectra
( 28).
PAverage of n+ and n- extrapolated to J=O. The A-type doub-
ling for v=O,J=l is 2.14 cm- 1 with n+ above n-.
qEffective constants for n-, strongly affected by !-uncoup-
ling. See also I 1 rr of 1H2 •
m g
See p. 263 •
sRefers to the J=l level of 1 n-, the J=l.level of 1 rr+ lies
1
18. cm- higher.
7
tzeeman effect in 0-0 band (9).
uSee i p. 263 •
vRefers to J'=l.
wTakes account of Y00 in both upper and lower state. The Y00
values for B, c, B' are 4. 2 , 2. 2 , 5. 1 cm-1 , resp., but
Y00 (B') is uncertain: see comments regarding 1H2 •
xweye = + 2.096, weze = - O.Z94, seven-level fit (48). (22)
gives rather different constants based on a nine-level fit;
his ninth level (v=8) disagrees strongly with that of (48).
Y + O.l02(v+-!) 2 - 0.01J4(v+t)J, seven-level fit (48).
1
'D 1 = o. 00371' higher Dv values are irregular.
265
 266
State Te we wexe Be «e De re Observed Transitions References
c10- 2cm-1 ) (i) Design. 1 voo
2
H2. (continued)
F} li::~{2p5
2
(1009Jl.2)a [859.l]b B6= J.5c r 6 = 2.2 F~B, R v 6o = 1)912. 70 (16)
E g 2s6 100128.l 1784.42 48.105 16.3696 o.6764 [ 0.54] l.01124 E~B, v 8827.99 (16)
ln f c~x,i R
c u 2p1T 100097.2d 1729.92 J4.917e 1.5.6731 o.5679g o.532h 1.03346 99409.18j (44)* (48)*
Werner b.
B lt+u 2p6' 91697.2d 963.08 11.038k 10.0680f o.4198.t o.4o m 1.28944 B~x;1° R 90633.79 (27)* (44)*
3 Lyman b. (48)*
x 1 I:+g lsE> 2 0 3115.50 61.a2P J0.44J6q l.0786r 1.141 s 0.74152 Field- and (2J)
pressure-induced sp.t ( 17 ) ( J8 ) ( 49)
Raman sp. (11)
Rf magn. reson. sp. u (7) (lO)(JJ)
(35)

~rom the observed v 60 and the energy of v=6 above the
(outer) minimum as calculated by (29)J see 1H2 •
bCalculated 6G(~) value of the outer minimum of the
double-minimum state (29)1 see 1H2 • According to (29)
the lowest level' of the outer minimum is 9190.1 cm-1
above B 1 t~(v=O), but the V=0 ••• 5 levels have not yet
been observed. The v=6 level lies just below the po-
tential maximum.
cVibrational numbering of (29). The n6 value is large
and negative. Higher vibrational levels lie above the
potential maximum and have larger Bv values {e.g. B12
= 5.688) corresponding to the fact that for these levels
the vibrational motion covers both minima of the E,F state.
A few rotational levels of v=4 have been observed.
dsee w p. 265 • Te of c 1 nu and v 00 (c-x) both exclude - BA2 •
eweye = + 0.2612, weze = - 0.00946; the zero-point energy
(Y 00 = 2. 2 included) is 858.4 6 cm- 1 • The eight-level fit
refers to n- (48). All vibrational levels up to v=l9 have
been observed. The last level lies 50 cm-l above the dis-
sociation limit confirming the theoretical prediction (lJ)
of a maximum in the potential function.
fRKR potential functions (21).
2Hz (continued)1

g+ o.oo419(v+i)z- o.00010 1 (v+t)J, eight-level fit refer- levels are given by (J7); see also (5Z). For a discussion
ring to 1 n~ (48). Several of the 1 n~ levels are strong- of the small differences obs.-calc. see (J9)(44)(55).
ly perturbed by B 1 ~~. qAccording to (8) the hyperfine levels F=l and 2 for v=O,J=l
h - O. OOOZ16(v+!) + O. OOOOll(v+i) Z. (para-Dz) are o. 6609 x 10-5 and o.4669 x lo-5cm- 1 below the
iFranck-Condon factors from electron energy loss spectra F=O component.
(28). Theoretical band oscillator strengths, transition r + o.01z65(v+i} 2 - o.00069(v+i}J; see P. As for 1H2 the Bv
probabilities and photodissociation cross sections (JO). curve has a slightly negative curvature at low v.
jExcludes - Bf\.Z. s - o.OOOZ24(v+!) - + ••• ' from the data of (11) (Z3) (44).
k+ o.4109(v+t)J- o.037o(v+i) 4 + o.00154(v+!) 5 , the zero- tl-0 and 2-0 bands.
point energy (Y 00 = 4. 2 included) is 483.0 cm- 1 ; eight- uNuclear spectrum (7)1 the rotational spectrum gives the ro-
3
level fit (48). All vibrational levels up to v=51 have tational magnetic moment for J=l1 0.44288 µN (10). (J5) de-
been observed. termine spin-rotation and quadrupole interaction constants
f, + o.oz96(v+!)z - o.0015(v+-t)J, eight-level fit (48). for J=l,Z and derive the quadrupole moment of D. Polariza-
m_ O.OOOJZO(v+t) + 0.00001J(v+t) 2 • bili ty anisotropy <X 11 - lXl. = o. Z89 .R 3 ( JJ).
7
nSelective enhancements of v'=7 and 9 in Ar-D 2 mixtures
studied by (20). Experimental Franck-Condon factors (Z8), (1) See ref. (5) of 1 Hz•
calculated (18a). Theoretical band oscillator strengths, (Z) See ref. (6) of l Hz•
transition probabilities, and photodissociation cross ( 3) See ref. (7) of 1tt •
2
sections (JO). (4) Jeppesen, PR !±2, 797 (1936).
0
continuous component of B-X (corresponding to the con- (5) See ref. (10) of 1Hz•
E;)
tinuum of X 1 observed by (3Z). (6) See ref. (15a) of 1H2.
Pweye = + 0.562, weze = - o.oz28 6 ; the zero-point energy (7) See ref. (17) of 1 Hz•
(Y00 = 4.1 included) is 1546.4 cm-1 • Data from the Ra- (8) See ref. (16) of 1 Hz•
3 9
man measurements of (11) and the field-induced spectrum (9) Dieke, JPR 1.2, J9J (1954).
of (2J) have been combined with the somewhat less accu- (10) Ramsey, "Molecular Beams", p. Z38. Clarendon Press,
rate VUV results in the least-squares solution (10-level Oxford (1956).
fit) for the vibrational and rotational constants (44). (11) See ref. (2J) of 1H2 •
All vibrational levels have been observed, the last one, (lZ) See ref. (12) of lHZH.
v=Zl, being only 2.1 cm- 1 below the dissociation limit (lJ) See ref. (4J) of 1 Hz•
(44). Theoretical values for all bound and quasi-bound (14) See ref. (46) of 1 H2 •
(continued p. 269)

267
 268
State Te we wexe Be ae De re Observed Transitions References
(lo- 2cm- 1 ) (i) Design.
1 voo

2H3H µ = 1.20764393 0
DO = (4.57271) eVa I.P. = (15.47496) eV b NOV 1976
a JI:+ 2so ( 95961. 8) c (a- X) d
g (95404.6)
c ln d
u 2pir (100098.4)c (C- X) (99470. 0 )
lI:+ 2p6 (91696. )c (B-X) d
B
u 7 (90724.9)
x lI:+ lso 2 0 2845.5 2 e 51.J86e 25.J95e o.s221e 0.809f (0.74142) (l)(J)
g

2HJHs aJ6881.l cm- 1 , calculated from ab initio potential func- Y00 = J.4. Slightly different numbers were obtained by (1)
tion (5); non-adiabatic corrections which are certain- from the constants of H2 by using isotope relations.
ly less than + 0.2 cm- 1 and Lamb shift corrections {~ fCalculated by (1) from the constants of H2 using isotope
- 0.2 cm-1 ) are not included. No observed value is relations; foe = - 0.000114.
available yet.
n°
bFrom the theoretical 0 (DT) and ng
(DT+) values and (1) Jones, JCP 11, 1062 (1949).
I.P.(D). (2) See ref. (43) of 1H2 •
cFrom the Te values of Hz and Dz assuming that the elec- (3) See ref. (5) of 1H3H.
d tronic isotope shift is proportional to ( 1 - µH /µnT). (4) See ref. (67) of 1H2.
2
From Te and the zero-point energy calculated by (4). (5) See ref. (70) of 1H2.
eCalculated by (J) from the potential function of (2)
and based on v=0 ••• 3 only; weye = + 0.336, Oe = + 0.0087,
2H (continued)1
2
(15) See ref. (47) of 1H2 •
(16) Dieke, Cunningham, JMS 18, 288 (1965).
(17) Watanabe, Welsh, CJP ~' 818 (1965).
(18) See ref. (50) of 1H2 •
(18a)See ref. (51) of 1H2 •
(19) Fowler, Holzberlein, JCP !±2, 1123 (1966).
(20) See ref. (15) of 1H2H.
(21) See ref. (72) of 1H2 •
(22) See ref. (73) of 1H2 •
(23) See ref. (74) of 1H2 •
(24) See ref. (68) of 1H2 •
(25) See ref. (70) of 1H2 •
(26) See ref. (71) of 1H2 •
(27) See ref. (77) of 1H2 •
(28) See ref. (83) of 1H2 •
(29) See ref. (86) of 1H2 •
(JO) See ref. (80)(90)(91) of 1 H2 •
(Jl) See ref. (92) of 1 H2 •
(J2) See ref. (94) of 1H2 •
{JJ) English, MacAdam, PRL 24, 555 (1970).
(J4) See ref. (95) of 1H2 •
(J5) Code, Ramsey, PR A 4, 1945 (1971).
(36) See ref. (103) of 1~ •
2 (59) Herzberg, unpublished.
(37) See ref. (31) of 1H2H.
(38) Reddy, Kuo, JMS J.7., 327 (1971).
(39) See ref. (115) of 1H2 •
(40) See ref. (112) of 1H2 •
(41) Herzberg, Science 112, 123 (1972).
(42) See ref. (111) of 1 H2 •
(42a)See ref. (117) of 1H2 •
(43) See ref. (37) of 1H2H.
(44) Bredohl, Herzberg, CJP .21, 867 (1973).
(45) Freund, Miller, JCP ..2,2, 4073 (1973).
(46) See ref. (39) of 1H2H.
(47) See ref. (127) of 1 H2 •
(48) See ref. (129) of 1 H2 •
(49) Russell, Reddy, Cho, JMS 2£, 72 (1974).
(50) See ref. (155) of 1H2 •
(51) See ref. (147) of 1H2 •
(52) See ref. (153) of 1H2 •
(53) Le Roy, Barwell, CJP jJ, 1983 (1975).
(54) Takezawa, Tanaka, JMS ..2!±, 379 (1975).
(55) See ref. (158) of 1H2 •
(56) Jost, Lombardi, Derouard, Freund, Miller, Zeg
CPL JZ, 507 (1976).
(57) Miller, Freund, Zegarski, JCP 64, 1842 (1976)
(58) Bunker, unpublished.
(60) Kolos, JMS 62, 429 (1976).
 270
State Te w
e wexe Be ae De re Observed Transitions References
(10- 2cm-1 ) (.i) Design. l voo

b
3H2 ~ = 1.50802486 D00 = (4.5909 ) eVa I.P. = (15.4867 0 ) eV NOV 1976
7
n 3nu 5p11" (120984.3) 1348.89 22.52 10.021 0.294 0.22 1.0562 n-+ a, R 24923.03 (2)
k 3nu 4p1T (118403.2) 1355.39 22.026c 10.053 0.296 0.22 1.0545 k-+a, R 22345.34 (2)
f 3l:~ 4p6' (116653) [1278] 9.90 0.30 1.063 f-+a, R 20561.9 (2)
d .3nu 3P'll" (112736.0) 1J72.ll 22.135d 10.1_50e o.305oe o.217f l.0494 d-+a, R 16686.44 (l)
Fulcher b.
e JI:~ Jp6 (107770.8) 1272.28 23.03g 9.2056 o. 280.Jh o.1887i 1.10197 e-+ a, R 11671.06 (J)

a JI:; 2so (95965.4)j 1541.57 24.4?k ll.4J74 0.32581. 0.98862 (a- X) (95464.4)m
b JI:~ 2p6 I Repulsive state, lower state of T2 continuum. a~b

F
2
}l~+{2p6 (l009J5, 9 )1 (706.0]0 Ba= 2.5l ra=2.ll F-+ B, R v80 =14302.5oq (4)
g 2so (100136. ) 10.9306 0.2403 1.01128 v 8765.40 (4)
7 . 1454.18 0.3659
E J0.52 E-+B,
1
c nu 2p'i!' ( 100099. 7 ) JI (C-X) (995J6. )r
9
1 + . 6 6
6.716t t t (B- X) (90825. 0 )u
B i:.. 2p5 (91696.J)l 787.28 7.0l.3 0.2076 0.173 1.2901
x 1I:+ ls6 2 o 2546.4 v 41.23v 20.JJ5V 0.5887W (0.74142) ( 6)
g 7

3i1 2 a a37028.4 cm-1 , calculated from ab initio potential func- c

weye = + 0.133.
tion (8)1 non-adiabatic corrections which are certainly d
weye = + 0.159, weze = - 0.002.
less than + o. 2 cm-1 and Lamb shift corrections ( ~ - O. 2 efe = + O.OOJ8. The rotational constants refer ~o Jn-; Jn+
cm-1 ) are not included. No observed value is available is perturbed. The A-type doubling is somewhat irregular.
yet. ffte = - 0.000065.
bFrom the theoretical values of ng(T 2 ) and og(T 2+), and ~weye = + 0.170, weze = - 0.0204.
I.P.(T). oe
= - o. 00156.
~ 2 (continued)1
~;3e = - 0.000045. sFrom the R(O) lines in the E,F- B system (4); weye =
JFrom the Te values of H2 and n 2 assuming that the elec- + 0.0912. The zero-point energy (Y 00 = 2. 6 included) is
tronic isotope shift is proportional to (1 - µH~/µT~). 394.4 6 cm-1 •
~weye = + 0.312, weze = - 0.016. ~rom combination differences formed from th.e data on E,F- B
t'e = + 0.00273. (4)s re=+ 0.0072, ~e 0.0008.
mFrom Te assuming Y00 (a 3E:) = O but taking account of uFrom the calculated Te and the zero-point energies as given
Y00 in the ground state X 1 E; (see v). in s and v.
llprom the observed v80 and the energy of v=8 above the vCalculated by (6) from the potential function of (5) and
outer minimum of the E,F double-minimum state as calcu- based on v=0 ••• 3 only; experimental values are not avai-
lated by (9). lable. weye = + 0.258; the zero-point energy (Y 00 = 2.8 in-
0
calculated AG(i) value for the outer minimum (9). cluded) is 1265.74 cm-1 •
Pvibrational numbering of (9). The n8 value is large and w+ o.0053(v+i) 2 - 0.00018(v+i)3s see v
negative. For higher vibrational levels (above the po- (1) See ref. (l) of 1H3H.
tential maximum) Bv is larger, e.g. (4) give B13 = 3.892, (2) See ref. (15a) of 1H2 •
and n13 = 0.00109 has the normal sign, in agreement with (3) See ref. (3) of 1H3H.
the fact that for these levels the vibrational motion (4) See ref. (16) of 2H2 •
covers both minima of the E,F state. v=0 ••• 7 levels not (5) See ref. (43) of 1H2 •
yet observed. (6) See ref. (5) of 1H3H.
qAccording to (9) the lowest level of the outer minimum (7) See ref. (67) of 1H2 •
is expected at 9204.5 cm-1 above B 1 E~(v=O). The v=B (8) See ref. (70) of l H2 •
level lies just below the potential maximum. (9) See ref. (86) of 1H2 •
rFrom Te and the zero-point energy calculated by (7). (10) See ref. (152) of 1H2 •

271
 272
State Te w wexe Be «e De re Observed Transitions References
e
(l0- 2cm- 1 ) {.i) Design. I voo

'H2+ µ = 0.50377547 ng = 2.6507~ eVa NOV 1976 A

I
several other predicted excited states, mostly repulsive.b
c
B
2n
u
2E+
2p1r (102696. )c 1 (266.01)
7
Jd6' (9J804. 5 )c (437.15)
(6.454)
(5.247)
(1. 899)

(l.5JO)
(0.0753)
(0.031 2 )
(O.OJ9) I
(0.0075)
I
(4.193)
(4.677)
(C- B)
(B- X)
(8806.3)c
(92877.4)
(27)
(27)
g
2
A E~ 2p6" Repulsive state.d A~X (11)

x 2
E; ls6' 0 2321.7
e 66.2e 30.21efg
I 1.68/
e 1.052h
I l Spin reorientation sp. i (13)

1H2 H+ µ = 0.67155901 Do0 = 2.66771 eva NOV 1976 A

x 2 r; lsG" 0 [191J.l]b
l (22.45 )c
2
(l.00 )c
1 l (l.l)c
l (1.057) Rotation-vibration sp.d (5)

H H+
1 3 µ = 0.75523263 0
Do= (2.67401 7 ) eve ·'
NOV 1976 A
x 2 E; ls6 0 [(1809.2J4)]e
.1_ l I l
lH +
2 I aExperimental value derived from ng(H
2 ) and I.P.(H 2 ) (21). calculations of the potential function the most detailed
The latest theoretical value [non-adiabatic calculation seems to be that of (4). This state has a small van der
(25), and including relativistic and Lamb shift correc- Waals minimum (D 0 = 3.4 cm- 1 ) at 6.64 j (16).
tions] is 2.65073 eVr see also (7)(14). °From Rydberg series limits of H2 (21)1 6G{i) = 2191.2,
bElectronic wavefunctions and energies are given by (2) weye = + o.6, de = + 0.041 2 • Similar constants (and De
where references to earlier literature may be found. 0.018) were obtained (1) by extrapolation from low members
cData for these two states are entirely theoretical [adia- of the series np3n (n=2-5). Higher vibrational levels and
batic approximation (27); see also (19)]. v 00 (C-B) refers their Bv values have b~en derived from photoelectron spec-
to N=l of C 2 n and N=O of B 2E+; see Table VI of (27). tra (8)(17). See also 1 •
Beckel (lectur~ at Columbus 197Z) gives 8803.9 0 • fFor two recent ab ini tio calculations of the potential
dObserved in the photodissociation of H2+ (11)(13) and in function s. ( 4) ( 26) ; relativistic corrections ( 15), Lamb
the photoelectron spectrum of H2 ( 22) ; the di.re ct transi- shift corrections (12)(14), non-adiabatic corrections (25).
tion from the x1 t;
ground state causes a shoulder in the Rotational and vibrational levels up to v=l8 from ab initio
absorption spectrum of H2 near )80 ~. Of recent ab initio calculations in (5)(7)(18)(26), incl. quasi-bound levels.
 1 H 2 H+; 1 H3H+ I
iH + (continued)1
2
gFranck-Condon factors for photoionization of Hz (3)(6)
(10). Effect of r-dependence of the transition moment
(Z4). Experimental cross sections (9)(Z3).
hThe most recent theoretical value (ZO) is 1.0569 R.
iObserved for N=l and N~2 of v= 4 ••• 8. For v~4,N~Z the
spin splitting is o.ooz7059 cm- 1 1 for odd N the hyperfine
structure due to the proton spins is superposed which
gives a much larger splitting. The strongest of the ob-
served five transitions for v=4,N=l occurs at O. 0423810
cm- 1 ; the extrapolated wavenumber for v=O,N=l is 0.046842.
(1) See ref. (15a) of 1H2 •
(2) Bates, Ledsham, Stewart, PTRSL A 246, 215 (1953).
(3) Halmann, Laulicht, JCP !±J, 1503 (1965).
(4) Peek, JCP !±J, 3004 (1965)1 see also Sandia Corp. Rep.
No. SC-RR-65-77 (1965) and supplement.
( 5) Wind, JCP !±J, 2956 (1965).
(6) See ref. (50) of 1H2 •
( 7) Hunter, Pritchard, JCP 46, Zl53 (1967).
( 8) Siegbahn, Nordling, Fahlman, Nordberg, Hamrin, Hedman,
Johansson, Bergmark, Karlsson, Lindgren, Lindberg,
"ESCA- Atomic, Molecular and Solid State Structure
Studied by Means of Electron Spectroscopy", p. 208f.;
NARSSU (IV) ZO (Uppsala, 1967).
(9) Spohr, von Puttkamer, ZN 22 a, 705 (1967).
(10) See ref. (75) of 1H2 •
(11) Richardson, Jefferts, Dehmelt, PR 1£.2, 80 (1968).
(12) Gersten, JCP jl, 3181 (1969).
(13) Jefferts, PRL .£}_, 1476 (1969).
(14) See ref. (79) of 1Hz•
(15) Luke, Hunter, McEachran, Cohen, JCP j.Q, 1644 (1969)
(16) Peek, JCP j.Q, 4595 (1969).
(17) Rsbrink, CPL 1, 549 (1970).
(18) Beckel, Hansen, Peek, JCP ..2.J., 3681 (1970).
aFrom Dg(HD), I.P.(HD), and I.P.(H). A second dissociation
limit corresponding to H+D+ is only 0.00370 eV higher. The
theoretical value for D 0~HD+) is 2.66767 eV (3)(6).
9
b6G(3/2) = 1816.7, 6G(5/2) = 1723.7; from Rydberg series of
HD (1). Ab initio calculations (6) give 6G(l/2) = 1913.005.
cAll bound rotational and vibrational levels derived from
the ab initio potential function in the adiabatic approxi-
mation are listed by (4); see also (2). The rotational con-
stants in the table are based on these calculated levels
(4) using v=O and 1 only.
dSeveral lines of the 1-0, Z-1, 3-Z infrared bands have been
observed and measured with high accuracy by (5) but there
are not enough lines to obtain "observed" values for the
rotational constants. The lines show a splitting of 0.0010
cm- 1 corresponding to the difference in spin splitting in
the upper and lower state.
eTheoretical value (6).
(1) See ref. (36) of 1HZH.
(2) Bishop, Wetmore, JMS 46, 502 (1973).
(3) See ref. (25) of 1H +~
1 2+·
(4) See ref. (26) of H2 •
(5) Wing, Ruff, Lamb, Spezeski, PRL J.2, 1488 (1976).
(6) Bishop, PRL J.Z., 484 (1976).
(19) Kroll, JMS J2, 436 (1970).
(20) Shaad, Hicks, JCP ..2.J., 851 (1970).
(21) See ref. (114) of 1H2 •
(22) Samson, CPL 12, 625 (1972).
(23) See ref. (37) of 1H2H.
(24) See ref. (39) of 1H2H.
(Z5) Bishop, MP Z8, 1397 (1974).
(Z6) Hunter, Yau, Pritchard, ADNDT 14, 11 (1974).
(27) Bishop, Shih, Beckel, w~, Peek, JCP .2.J, 4836 (1975).
273
 274
State w
e Observed Transitions References
Design. l v 00

2 H2+ µ = 1.00691397 n0O = 2. 6919 6 eVa NOV 1976 A

2 b
c nu 2p1T (188.0) (J.14)c (0.950) (0.026)d (4.19 8 ) (C- B) (8836) (7)
B 2t+
g
Jd6' b
(309.4) (2.62)e {0.766) (4.675)
X
2
t; ls6 0 [1577.J]f 15.0l6g 1.0559

µ = 1.20750134 ng = (2.69999 3 ) evh NOV 1976 A

0 [(1445.410)]h
I l l
µ = 1.50788772 ng = (2.70774 ) ev 1
NOV 1976
0 13J6j 22j j lo.014j o.294j I o.23j J 1.0566
µ = 0.50464975 NOV 1976 A
A comprehensive review of resonances in electron impact on H2 , HD, and n2 has been published
by (J) and contains references to earlier literature.
a
G (2260) 15.07 evb (J}(5)
F 2420 40 a 1J.6J evb (J)(5)
2540 e 11.32 evb (2)())(4)(6)
53
2540 42 e 11.19 evb (2)())(4) (6)

(1530) 40 e 10.93 evb (2)(3)

Repulsive curve, having the unstable b 34~ state of H2 as its parent (J)
state. Observed in dissociative attachment experiments.
Slightly bound state (n 0 °~ 1-2 eV). h l l (J)
2H + 2H~+ ~ + lH 2 - I
2 ' ' 2 I

aFrom n 0~n 2 ) and I.P.(D 2 ); theoretical value 2.69192 eV (8). aTwo progressions of resonances (series "f" and "g") pro-
bData for these two states are entirely theoretical (7). ceeding across the ionization threshold of H2+. Higher
cw y = - 0.027. members correlate with structure previously observed in
d e e
6'. = - 0.0003.
e e
photoionization of H2 •
weye = + 0.011. bEnergies in eV above X 1 E;(v=O) of H2 , all obtained as
f6G(J/2) = 1512.l; from Rydberg series of n2 (10). Correspon- resonances in electron scattering experiments. The value
ding theoretical values 1577.15, 1512.47 [adiabatic approxi- for B 2E; is extrapolated from v=2.
mation (9)]. Higher vibrational levels [observed in photo- cFrom resolved rotational structure of the resonances (2).
ionization (6) and photoelectron (5) spectra] and rotational dFrom a fit of calculated to observed excitation cross
levels, incl. quasi-bound levels, calculated by (4)(9). sections (2); for D 2E; in good agreement with the value
Franck-Condon factors for photoionization of n2 from X 1 E; obtained from the observed rotational structure.
calculated by (2)(J) and measured by (5)(6). eThe progressions of resonances attributed to B, c, D are
gExtrapolated (1) from low members of the Rydberg series normally referred to as series "b", "c", "a", resp ••
npJn (n=2 ••• 6) of n2 • See also f. fAssignment according to (6); (2) favour lso2sff2p~, 2nu.
hTheoretical value (11). gPossible parent state B 1 E~.
icalculated from the Born-Oppenheimer pot. function and the hThe potential function is well defined only outside the·
_adiabatic corrections (scaled down for T2+) given by (12). potential well of H2 [see, however, (l)]; its asymptote
JExtrapolated (1) from low members of the Rydberg series lies 0.75421 eV below that of H2 x 1 E~. The lifetime
npJn (n=2 ••• 5) of T2 • against preionization is estimated to be lo-l5 s corres-
(1) See ref.(15a)of 1H2 • ponding to a width of 1 eV. The ground state of H2 -
( 2) See ref. ( J) of 1H2+. causes a broad resonance in the scattering of low energy
(J) See ref. (50) of 1H2 • electrons by H2 and shows up both in the formation of H-
(4) See ref. (7) of 1H2+. by dissociative attachment and in the vibrational exci-
(5) See ref. (9) of 1H2+. tation of H2 •
(6) See ref. (68) of 1H2 • (1) Eliezer, Taylor, Williams, JCP !±1, 2165 (1967).
(7) See ref. (19) of 1H2+. (2) Comer, Read, JP B 1, J68 (1971); Joyez, Comer, Read,
(8) See ref. (25) of 1H2+. JP B 2, 2427 (197J).
(9) See ref. (26) of 1H2+. (J) Schulz, RMP ~' 42J (197J).
(10) See ref. (54) of 2H2 • (4) Spence, JP Bz, L87 (1974).
( 11) See ref. ( 6) of 1H2H+, 1H3tt+. (5) Schowengerdt, Golden, PR A 11, 160 (1975).
(12) Bishop, Wetmore, MP 26, 145 (197J). (6) Chang, PR A 12, 2399 (1975).

275
 276
State w we xe (Xe Observed Transitions References
e
Design. 1 v 00

µ = 0.99542702 D0o = 3.75 8 eV a I.P. = 11.67 evb DEC 1976 A

1
Numerous absorption bands above 114000 cm- , tentatively assigned to higher members of
two Rydberg series starting with Land M and converging to A 2E+ of HBr+; I.P.[A 2E+,v=0] = (4J)
123373 cm-l (15.296 4 eV).
M ( 1 E+) (109473) [1308] v=O ••• 4 observed. Assigned as 4po 4p1T4 6s5. c M<-X, 108814 (43)*
L (lE+,ln) (104201) [1262] v=O ••• 3 observed. Assigned as 4p6' 4p1T'4 5p6' and/or 5p'IT'. c L+- X, 103519 (43)*
Further absorption bands of doubtful assignment between 75200 and 83600 cm- 1 • (13)(15)
1 (83902) (2518)e [8.195] [22.0] [l.4375] K<-X, R 83847.9fz (15)
Jd 1 (8124J) (2502)e [8.027]g [3.61] [1.453] J+-X, R 81180.7hZ (13)*
Id 1 (80436) (2525)e [8.169Ji [1.440] I<- X, R 8 0 38 5. 6 j Z (13)*
g (3E-)O+ t [79253.2] [7.63Jk [1.49] g<- X, R 77940. O Z (lJ)* (36)*
F l~ t [78322.3] [8.20] [1.437] F~X, R 77009.l Z (J6)*
fl 3~1 t (76814) [2299.7] z 8.027 0.213 1.453 f 1 <-X, R 76650.9 Z (13) (36)*
D 1n u (76310) [2405. 5] z 8.125 0.21 1.444 D<- X, R 76199.4 Z (13)* (J6)*.
3
d 0 n0 u (76193) [2418.5] z [7.624]1, (0.32) [1.4904] d 0 <-X, R 76088.8 Z (13)(J6)*
E (lE+)O+ t [76691] [7.34]m [1. 519] E~X, R 75378 (36)
V lE+ n (75800) Bands in emission above 46500 cm- 1 , in absorption above v~x, 0
(74900) (14)(36)*
(790) 75700. Incomplete analysis. R

f2 3~2 t [75533.8] [8.67 JP

5 [16. 5 JP] [1.397] 74220. 6 z (13) (36)*
fJ 3~3 t [75403.1] Weak transition. I [7.41]
I
[-7.6] [1.512] 74089.9 z (36)*
e JE+ t [75053] Very diffuse, unresolved band. e<- X, R 73740 (J6)

dl 3nl u [74855] Diffuse band, rotational structure unresolved. d1 <-X, R 73542 (1J)(J6)
dz 3n2 u [74753] Diffuse band, rotational structure unresolved. dz{- X, R 73440 (13)(36)
 State w w x Observed Transitions References
Te e e e Be ~ De
(lo- 4 cm- 1 )
re
(R) Design. l voo

'H 8 'Br (continued)

c ln v 2552 z 52 7.89 0.30 Cf- X,q 70527.6 z (lJ) (32)*
70578 1.465 R
o+ v (68998) [2452] [7.996]r [1.455] R 68911.2 z
bo Jn 0 o- v b
0 ~ X, (1J)(J2)*
(68991) R 68904s H

bl 3rr 1 v (67180) [2444.2] z 8.14{ 0.292 1.442 bl~ x, R 67088.4 z (lJ)* (J2)*
b 3rr
2 2
v [67663.0] [7.80
5
y [1.473] b 2 f- x, R 66349.8 z (1J)(J2)*

1 HBri ~·rom D 0(H ), D 0(Br ), and lilifO ( HBr;fromgaseous H , Br ) •

a....
0 2 0 2
bAverage value from photoionization (10) and photoelec-
tron spectra (23)(29); refers to X 2n of the ion.
312
A more recent paper (39) gives 11.64 eV.
5
cstrongly broadened by preionization; estimated life-
time against preionization 9.5x l0-l5 s (46).
dI, J, K correspond to absorption bands with clear ana-
logues in DBr.
eFrom the observed HBr-DBr isotope shift assuming that
the observed bands are 0-0 bands.
fBand [37] of (15).
gJl-type doubling, 6vef = + 0.14 2 x J(J+l) - ••• ;Band
D represent average values.
hBand [28] of (lJ). Sharp P, Q, R branches; the Q
levels appear to be predissociated for J ~ 14.
iFrom R, P branches. fivef = - 0.04lx J(J+l).
jBand [26] of (lJ).
2 2
kPerturbed at high J.
1slightly diffuse lines.
mPerturbed.
nDerived from H+ +Br-; configuration ••• orr4 6*.
0
Heavily perturbed extensive band system. Absorption lines
above 75923 cm- 1 are diffuse. B' varies irregularly between
J.4 and 4.5 cm- 1 •
PAverage values for the two Jl-type doubling components.
qVery strong absorption, lines are diffuse.
rDiffuse rotational structure.
sDiffuse Q head.
tconfiguration ••• 6 2 'TTJ 5p-rr.
uconfiguration •• • 6 2 rr3 5po.
VConfiguration •• • 6 2 'IT) 5so •

277
 278
State Te we wexe Be ae De re Observed Transitions References
(10-4cm- 1 )

1 8
Ci) Design.
l voo

H '8 r (continued)
·
A cln) w Continuous absorption starting at rvJ5000 with maximum at 56400 cm-1 • A~X (1) (2) (4) (5)
(28)
a•
x lE+ 0 2648.975X z 45.217/ 8.46488 4 x o.23328z J.4575 1.414435 Rot.-vibr. sp. b'c' (21)
Rotation spectrum d'c' ( 8) ( 17 )( 31)
Raman sp. e' (45)
Mol. beam el. reson. f' (42)

1HBr (continued)a

wConfiguration ••• 6 2 tr3 6*.
xThese are Y10 and Y01 values; applying Dunham corrections
(21) obtain we = 2649.21 5 , Be = 8.46506 • Additional cor-
5
rections (adiabatic, non-adiabatic) are discussed by (38).
The microwave B0 value of (17) was included in the evalu-
ation of Be. See also b' f' •
Yweye = - 0.0029.
z + 0.000873 (v+t) 2 - 0.000120(v+t)3.
5
a' - 0.039 x lo-4(v+i) + o.0038(v+t) 2 ;.
7
H = 7.63x10-9-o.55x10-9(v+~).
b' v
In absorption the 1-0, 2-0, 3-0, 3-1, 4-0, 5-0, 6-0 bands
have been studied (6)(7)(12)(21)(41); in emission 1-0, 2-1,
3-2, 4-3 (11)(20). The constants in the table are from (21),
those of (20)(41) are very similar and of comparable accu-
racy. See also (47). Absolute intensities have been measured
(16)(18)(30)(33) and the dipole moment function has been
calculated; (40) give for H7 9Br [D,R]1 µet(r) = + 0.788 + ·
o.315(r-re) + 0.575(r-re) 2 ; see also (24)(34)(37).
c'For observations and measurements of pressure-induced
bands and pure rotation lines (6J=2) see (22)(27). The
pressure broadening of the lines has been studied by
(16)(25).
d'Absolute intensities have been measured by (19).
e'Raman cross sections in gaseous HBr. .
f'The following constants (as well as corresponding values
for H79Br) are given in (42):
- µet(v=O,J=l) = 0.8265 D [in a later paper (44) derive
o.8282 D from Stark effect of rotation spectrum];
- quadrupole and other hyperfine coupling constants;
- gJ = 0.3712.
These constants supersede earlier values of (9)(17)(26)
(31) ( 35).
1HBr (continued)1

(1) Bates, Halford, Anderson, JCP J, 531 (l9J5). (25) Pourcin, Bachet, Coulon, CR B 264, 975 (1967).
(2) Goodeve, Taylor, PRS A .!..2£, 221 (1935). (26) Tokuhiro, JCP ~, 109 (1967).
(J) Price, PRS A !§1, 216 (1938). (27) Weiss, Cole, JCP 46, 644 (1967).
(4) Datta, Chakravarty, PNISI 2, 297 (1941). (28) Huebert, Martin, JPC .zg, J046 (1968).
(5) Romand, AP(Paris) (12) ~' 527 (1949). (29) Lempka, Passmore, Price, PRS A~, 53 (1968).
(6) Naude, Verleger, PPS .QJ, 470 (1950). (JO) Rao, Lindquist, CJP 46, 27J9 (1968).
(7) Thompson, Williams, Callomon, SA j, Jl5 (1952). (Jl) Van Dijk, Dymanus, CPL~' 170 (1969).
(8) Hansler, Oetjen, JCP 21, lJ40 (l95J). (J2) Ginter, Tilford, JMS J!±., 206 (1970).
(9) Schurin, Rollefson, JCP 26, 1089 (1957). (JJ) Gustafson, Rao, CJP 48, JJO (1970).
(10) Watanabe, JCP 26, 542 (1957). (J4) Tipping, Herman, JMS J.Q, 404 (1970).
(11) Mould, Price, Wilkinson, SA 16, 479 (1960). (J5) Van Dijk, Dymanus, CPL j, J87 (1970).
(12) Plyler, JRNBS A 64, 377 (1960). (J6) Ginter, Tilford, JMS J.Z, 159 (1971).
(lJ) Barrow, Stamper, PRS A £21, 259, 277 (1961). (J7) Rao, JP B ~' 791 (1971).
(14) Stamper, Barrow, JPC £.2., 250 (1961). (38) Bunker, JMS 42, 478 (1972).
(15) Stamper, CJP 40, 1279 (1962). (39) Delwiche, Natalis, Momigny, Collin, JESRP 1, 219 (1972).
(16) Babrov, JCP 40, BJl (1964). (40) Urquhart, Clark, Rao, ZN £Z a, 1563 (1972).
(17) Jones, Gordy, PR A~' 1229 (1964). (41) Bernage, Niay, Bocquet, Houdart, RPA ~' JJJ (1973)1
(18) Babrov, Shabott, Rao, JCP 42, 4124 (1965). CR B _gz§_, 235 (1974).
(19) Chamberlain, Gebbie, Nature 208, 480 (1965). (42) Dabbousi, Meerts, de Leeuw, Dymanus, CP g, 473 (1973).
(20) James, Thibault, JCP 42, 1450 (1965). (4J) Terwilliger, Smith, JMS ..2.Q., JO (1974).
(21) Rank, Fink, Wiggins, JMS 18, 170 (1965). (44) Van Dijk, Dymanus, OP~' 474 (1974).
(22) Atwood, Vu, Vodar, SA A _gj, 553 (1967). (45) Cherlow, Hyatt, Porto, JCP .QJ, J996 (1975).
(2J) Frost, McDowell, Vroom, JCP 46, 4255 (1967). (46) Terwilliger, Smith, JCP .QJ, 1008 (1975).
(24) Jacobi, JMS 22, 76 (1967). (47) Ogilvie, Koo, JMS 61, JJ2 (1976).

279
 280
State Te w w x Be ae De re Observed Transitions References
e e
e
(lo- 4crn- 1 ) (i) Design. l voo

2Hs19r µ .. 1.96518641 °
D0 = 3. 804 eva I.P. = ll.67 eVb
3
DEC 1976 A
1 1
Numerous absorption bands above 114000 cm- 1 see HBr. (lJ)
M (lE+) (109374) [1000] v=0 ••• 5 observed.} See 1HBr. M+- X, 108937 (13)*
L ( 1 E\ 1 n) (104141) [971] v=0 ••• 4 observed. I I I L~ X, (lOJ690) (lJ)*
Further absorption bands of doubtful assignment between 72000 and 8J800 crn- 1 • (6)
K
c 1 (83908) (1792)d [4.12l]e [0.80] [1.4428] K+- X, R 8J867.1f z ( 6)
J
c 1 (81248) (178l)d [4.083]g [1. 36] [1.4495] J+- X, R 81202.2f z (6)*
IC 1 (80442) (1797)d [4.107] [1. 38] [1.4452] !<E- x' R 8o403.8f Z (6)
g (3E-)O+ (7812.5) [1440.6] z [3.79] (0.40)h [14] [1. 504] gT-X, R 77908.8 z (6) (10)
F 16 [77989.0] [4.095] [1.4473] F+- X, R 77052.3 z (6)(10)
f 1 J6 1 (76787) [1657.J] z 4.064 0.076 1.453 fl+- x, R 76679.2 z (6)(10)
D lrr (76280) [1732.6] z 4.128i 0.076 1.4415 D~X, R 76209.1 z (6)(10)*
d o 3no [ 77027 .4 J [3.993Jj [1.466] d
0 ~ X, R 76090.7 z (10)*
E (12::+)0+ (75682) [1365] z [3.953] (o.78)h [1.4729] E~X, R 75428.1 z (6)(10)
lr;+ Extensive absorption system above 75700 crn-1, incompletely analysed v~ x, R (10)
v because of strong perturbations. Bv values range from 1.68 to 2.12.
f 2 J62 (74370) [1660.3] z 4.294 0.097 [2.4] 1.413 f 2 +-X, R 74263.1 z (6)(10)*
f 3!1 [75088.6] Weak transition. [3.83] [-2.1] [1.497] f
3
~x, R 74151.9 z (10)*
3 3 I
e Jl:+ [74677] Very diffuse, unresolved band. eT- X, 73740 (10)
d 1 3Ill [74499] Diffuse band, rotational structure unresolved. dl +- X, R 73562 (6)(10)
d 2 3Ilz [74391.5] [3.906]k [0.36] [1.482] dz+- X, R 73454.8 z (6)(10)*
HQ (6)(8)*
c ln 70563 1811.2 z 25.5 4.02.t. 0.105 1.461 C<E- X, R (70501)
 State Te w wexe Be ae De re Observed Transitions References
e
(lo- 4cm- 1 ) (i) Design. l voo
2Hs19 r (continued)
o+
bo Jn 0 o-
[69837.1] 2I
[4.o8 ]m [1.450]
b 0 +- x,
R 68900.4 z (6)* (8)*
[698J2] Unresolved Q branch, assignment uncertain. R (68895)

bl
J Ill 67113.9 1814 z 27 4.lOn 0.09 1.446 bl~ x, R 67077.5 z (6)(8)

b2
J
Il2 [67290.7] I [4.01 8 ]m [1.461] b ~ x,
2 R 66354.o z (6)(8)
A c1n) Continuous absorption beginning at ,.... 39000 cm- 1 • Ale- X, (1)
x lE+ 0 1884.75 z 22.71 8 0
[4.245596]P 0.083 8 I [0.8832! 1.4145 Rot.-vibr. sp.q
Rotation spectrumr
(2)(5)
( 3) ( 4) ( 9) ( 12)

2HBr a gc
aFrom D 1HBr) • emission (5).
hprom the photoelectron sp. (11) of the isotopic mixture. rµeL(v=O) = 0.8233 D from Stark effect of 1-0 line (12).
csee d of 1HBr. Quadrupole and other hyperfine coupling canst. (7)(9)(12).
dsee e of 1HBr.
en-type doubling, 6vef ~ + o.0371J(J+l). (1) See ref. (1) of 1HBr.
fBands {35}, {27}, {26} of (6). (2) Keller, Nielsen, JCP 22, 294 (1954).
g.Q.-type doubling, 6vef = + O.OJ14J(J+l). (3) Palik, JCP £1, 217 (1955).
~=0 and 1 only; v=l is perturbed. (4) Cowan, Gordy, PR 111, 209 (1958)
~From P, R branches. B0 (Q) = 4.109. (5) See ref. (11) of lHBr.
JFrom P, R branches. B0 (Q) = 3.926. (6) See ref. (15) of 1HBr.
kBranches are slightly diffuse. ( 7)See ref. (26) of 1HBr.
!Diffuse rotational structurer v=0 ••• 4. (8) See ref. (32) of 1HBr.
mSlightly diffuse lines. (9) De Lucia, Helminger, Gordy, PR A J, 1849 (1971).
nv=2, 3 diffuse. Slightly diffuse lines for v=O, 1. (10) See ref. (36) of 1HBr.
0
weye = - 0.010 6 • (11) See ref. (39) of 1HBr.
PMicrowave value (9)(12). (12) See ref. (44) of 1HBr.
ql-0, 2-0, J-0 bands in absorption (2), 6v=l sequence in (13) See ref. (43) of 1HBr.

281
 282
State Te w w x B «e De re Observed Transitions References
e e e e
(lo-4 cm- 1 )

3
(i) Design.
1 voo

H8'8r µ = 2.90767009 n0O= 3.825 ev a DEC 1976 A

x lE+ 0 [1519.26]b z (15.4 8 ) [2.874466]c o.o459b o.45b 1.41456 Rotation-vibration b. (2)
Rotation sp.d (1)

1
Hs~+ D0o = 3.89 4 ev a DEC 1976 A
2E+ 28421.0 1404.ob b 5.970 2°d 4.3ooe 1.6842 A~X,f R 27904.6g z (1)(2)(3)
A 37.75 0.2476
(6)*
x zn.1 2441.52 i
oh k
z 47.4 j
0 8.0721 0.2363 [3.48] 1.4484

2 HBr+ 0
Do = 3.937 evL DEC 1976 A
A 2E+ 28421.2 999.25 z 19.1 2 3.024lmn 0.0894 l.lo 1.6842 A->X, R 28054.4g z (3)(6)
x 2n. 00 1734.36i z 22.18P 4.0877q 0.0848 o.87 0 1.4486
1

1 HBr- DEC 1976

Resonances due to inverse .preionization have been ~ound in the transmission of
electrons through HBr in the energy range 8.0 - 10.8 and 11.5 - 13.2 eV. They correspond to
(l)
excited states of HBr- in which two electrons are in Rydberg orbitals (nso) 2 , nsonpo,
{np6) 2 , ••• while the core is
. in the X 2·nt'i or A 2+E state of HBr • +l
JHBr 1
1
8From D °( HBr) •
0
bFrom the rotation-vibration spectrum of the isotopic
mixture (79, 81 Br).
cFrom the microwave spectrum (1) assuming the infrared
D value.
dQuadrupole coupling constants (J).
(1) Burrus, Gordy, Benjamin, Livingston, PR .2.1, 1661
(1955).
(2) Jones, Robinson, JCP 24, 1246 (1956).
(J) Tokuhiro, JCP !±1, 109 (1967).
1HBr+, 2HBr+a
~rom the predissociation in the A 2r+ state (4); seed.
0 1
Do( HBr) + I.P.(Br) - I.P.( 1 HBr) = J.902 ev.
bFrom isotope relations and the constants for DBr+ (6).
(2) derive 6G(i) = 1J28.7 from band origins.
cSpin splitting constant (v=0) = 2.10 ; small variation
0 5
with N.
dOnly v'=O and 1 observed in emission. (4) have observed
a sharp breaking-off at N'=l2 for v'=l and a less dis-
tinct breaking-off at N'=21 for v'=O yielding a dis-
sociation limit at Jl407 ± 20 cm-1 • In the photoelectron
spectrum of HBr (5) the bands with v'=2 and J are as
narrow as those with v'=O and 1 but bands with v·~ 4 are
strongly broadened indicating strong predissociation
(lifetime ,..., 2 x lo-14s).
e f3e = - O. 01 x 10 -4 •
4
fTransition moment variation with r from observed vibra-
tional intensity distribution and calculated Franck-
Condon factors (7).
1ttBr+, 2HBr+ (continued)a
gReferring in the lower state to the zero point of the
Hill-Van Vleck formula.
hA = - 2652.8 0 + 2.8l(v+i).
iv~lue for the heavier isotope ( 81 Br).
jweye = + o.40.
k.A-type doubling constants (p ~ 2.05) in (2)(6).
gc
£.From D 1HBr+) •
mSpin splitting constant 0(v=0) = 1.068 •
nOnly v'=0,1,2 observed in emission; breaking-off for
N'>l2 of v'=2 (4). In the photoelectron spectrum v'
o ••• 8 have been observed (5) but the bands with v'=6,7,
8 are very broad indicating strong predissociation be-
ginning at the same energy as in 1HBr+.
0
A0 2651.4 5 , Al= - 2649.54, •••
Pw e y e - 0.1.
qA-type doubling constants (p ~ 1.05) in (6).
(1) Norling, ZP .2j, 179 (1935).
(2) Barrow, Gaunt, PPS 66, 617 (195J).
(J) Marsigny, Lebreton, Ferran, Lagrange, CR C 266, 176,
17Jl (1968); Marsigny, Lebreton, Petit, CR C _g_zg_,
16J2 (1970).
(4) Haugh, Bayes, JPC .z.5., 1472 (1971).
(5) Delwiche, Natalis, Momigny, Collin, JESRP 1, 219
(197J).
(6) Lebreton, JCPPB lQ, 1188 (197J).
(7) Haugh, Schneider, Smith, JMS ..21, 12J (1974) •.
1HBr-1 (1) Spence, Noguchi, JCP .2.J., 505 (1975).
283
 284
State lll lll
exe
()( Observed Transitions References
e e
Design. l v 00

µ = 0.97959272 DEC 1976 A

Rydberg series corresponding to excitation of a 2p electron. 200-210 eV (50)(60)
Numerous absorption bands above 123000 cm- 1 , tentatively assigned to higher members of the
(55)
Rydberg series starting with Land M and converging to A 2 ~+ of HCt+.
M (l~+) (117811) [1529]
4
v=O •• • 5 observed. Assigned as 3p6"3pir 5s6'. c I M-1:- X, I117093 (55)*
L (l~+, 1 rr) 111280 1531 52 I
Assigned as 3p6 3pir4 4po /'Tr. c M- x, 110555 (55)*
Many other absorption bands in the region 83000 - 93000 cm-l corresponding to Rydberg states
(62)
strongly perturbed by the V l~+ state which itself gives rise to many perturbed bands.
(89861) [2604.6] z [9.230Jd [-12.6]d [1. 3654 J K+-X, R 89680.5 Z (62)
H l~+ (89120) [2093.8] z [8.4410] [8.93] [l.4278] H+- X, R 88684.5 Z (62)
E l~+ (84193) [2138.6] z [6. 6423] [ 36 .2] [1.6096] E-(- X, R 83780.2 Z (62)
g (3~-)1 e [84329.7] [10.36]f [17]f [1.289] g+- x, 82847 .4 z (48 )*
f 36 e [84006.1] [10.270Jg [-13]g [1. 294 J f 1 +- X, 8252J.8 Z (48)*
1 1
D 1 rr h [83972.0] [9.794]i [20.5Ji [1. 326] D+- X, R 82489. 7 Z (48 )*
d 0 3n 0 h [83753.6] [9.404]j [-2.2Jj [1. 353] d 0 +-X, R 82271.3 Z (48)*
f ~
f 2 36 2 e [83497.7] [l0.851l [29.5Jk [1.259] 2 X, V 82015.4 Z (48)*
f 36 e [83308.2] [9.45]g [-1.)g [1. 349] r +- X, R 81825.9 Z (48)*
3 3 3
d 3rr 1 h [83255.6] [9.763]1, [8]1, [1. 327] d1 +-X, R 81773.J Z (48)*
1
d ~
d 2 3n 2 h [83083.0] [8.63 2Jm [-14]m [1.412] 2 X, R 81600.7 Z (48)*
1 z 0 0
C+- x,P R 77485.J Z (l)* (44)
c n n 77575 [2684.o] [9°333] [1. 358]
1
v ~+ q 77293. 877.16 . z
16.o4r 2.727 -0.026 l.02r 2.512 V~X,s R 76245.3 Z (8)(9)(48)*
0
Continuous emission spectrum with maximum at 38900 cm-1 • V-H (9)
 State Te w wexe Be tt'e De re Observed Transitions References
e
(lo- 4 cm- 1 ) (R) Design. l voo

'H3s(l (continued)

bo Jn 0 n (75617) [2712] [lO.J6]t [1.289] b f-

0
x, u 75490.4 z (1)(44)*

bl Jn 1 n (75195) (2900) (79) [9.87]t [1.320] blf-x, R 75142.6 z (1)(44)*

J u R z
b2 n2 n [76J22. 2 ] [9.18]t [1.369] b2~ x, 748J9-9 ( 1) (44 )*
A ( 1 I1) v -1
Continuous absorption starting at 44000 cm , maximumw at 65500 cm-l Af- X ( 2) ( J)

1H35c.t 1 8From ng(H 2 ), ng(c.t. 2 ), and Af1~ 0 (HC.t).
bFrom the photoelectron spectrum (J3)(J8)(46); photo-
ionization measurements give similar results (20)(27).
A somewhat smaller I.P.(12.73 0 eV) may be derived from
the second band system in the photoelectron spectrum at
16.254 eV corresponding to A 2 L+ of HCl+. Higher ioni-
zation potentials at 207.1 and 208.7 eV correspond to
the removal of a 2p electron (50).
cstrongly broadened by preionization (lifetime l.lx
lo- 14s)(55).
dAverage B, D values; B(R,P) - B(Q) = + 0.385.
eConfiguration ••• 5 2 1T3 4p1T.
fAverage B, D values; B(l+)-B(l-) 0.06 0 •
gRefers to 6+; Q branch not resolved.
hconfiguration ••• o2 rr3 4po.
iAverage B, D values; B(II+) - B(II-) + 0.063.
jAverage B, D values; B(Il+) - B(Il-) - 0.04 0 •
kAverage B, D values; B(6+) - B(6-) - 0.03 0 •
;,Average B, D values; B(II+) - B(II-) - 0.16 0 •
mAverage B, D values; B(II+) - B(IT-) = - o.o6r
nConfiguration ••• 6 2 1T3 4sf5'.
0
v=l,2,3are increasingly diffuse; B1 9.29 6 • (44) give
we = 2817.5, wexe = 66.o, Be = 9.44, ae = 0.15.
PAlso observed in inert matrices (57).
qTypical "V" state with configuration ••• 6'rr4 o*.
r (). -4
weye = 0.113 3 ; '"e = o.2 0 x 10 •
sVery extended progression in absorption, not yet analyzed
in detail. The higher vibrational levels are strongly per-
turbed by Rydberg states (48)(62). The vibrational and ro-
tational constants given were obtained from the emission
spectrum with v ~ 3 ( 8) ( 9) but because of the perturbations
have only very limited meaning.
tDiffuse rotational structure; 1-0 and 2-0 are increasingly
diffuse.
uThe b 2 f- X and b 0 +- X components have only 1/50 of the inten-
sity of b 1 ~ X.
vconfiguration ••• 6 2 '1T35*.
wAbsorption coefficient k=40.

285
 286
State Te we we x e Be ae De re Observed Transitions References
(lo-4 cm- 1 ) CR) Design.
l voo

I H35Cl (continued)
x li:+ 0 2990.946{ 52.8186y 10.59341/z 0.307181
a' 5.Jl94zb' 1.274552 c' Rot.-vibr. bands d'e' (19)(28)
Rotation spectrum f'e' ( 4) ( 2 J ) ( 52 )
Raman cross sections (58)
Mol. beam electricg'and (41)(64)
magnetic h' reson. (J7)

1HJ5cl (continued)a

xApplying the Dunham correctio~s (28) obtain we = 2991.0904
and B0 = 10.593553. Additional corrections (adiabatic,
non-adiabatic) discussed by (49). Vibrational levels up to
v=5 have been observed in infrared absorption (12)(19)(28)
and emission (lo), higher levels in the V_..X bands (8)'(9).
Dunham potential coefficients {61). Most recent ab initio
values of the ground state molecular ·Constants ( 59) .;
charge distribution (40).
Yw e y e = + 0.224J , we z e = - 0.0121 8 (28).
7
zSlightly different constants in (11)(26)(Jl). These papers
and (39) give also constants for HJ7ci.
a' + o. 001772 4 (v+!-) 2 - o. 000120l(v+i) J •
b' - 7.51 0 x 10-6(v+i) +4.o 0 x 10-7(v+'l) 2 ; higher order terms
in (28). See also (JO).
c'uncorrected value from the Be( :Y 01 ) given in the table.
The internuclear distance at the minimum of the Born-
Oppenheimer curve is re= 1.2746149 R (49)(6J).
d'Absolute intensities (cm- 2atm-1 ) of the
1-0 band1 lJO (5)
2-0 bands 2.9 (5)
J.70 (17)(45)
J-0 bands 0.023 (5)
e'Pressure-induced shifts (by foreign gases) of rotation-
vibration and .rotation lines (lJ) (14) (21) (22) (24). For
discussions of pr.essure-induced bands and pitre rotation
lines (AJ=2) see (J2)(J6). Self and foreign-gas line
broadening '( 5) ( 7) ( 16) ·( 17)( 18) ( 29) ( 4 J) ( 4 5) ( 47) ( 52) • Infra-
red absorption in liquid and solid phases (42)(51)~
f'Absolute intensity m·easurements (25)(J4).
g'µel(v=0,1,2) = 1.1085, l.1J90, 1.1685 D, resp. (41).
Dipole moment function (41)(54); see also (5J)(56).
g = o.4594, also quadrupole and other hyperfine coupling
3
constants (41)(64); see also (J5)(5J).
h'Proton spin - rotation interaction constant (15)(37).
1HCl1 (1) Price, PRS A 1:.§.Z, 216 (1938). (33) Frost, McDowell, Vroom, JCP 46, 4255 (1967).
(2) Datta, Banerjee, PNISIz, 305 (1941). (34) Sanderson, AO£, 1527 (1967).
(3) Romand, AP(Paris) (12) 1, 527 (1949). (35) Tokuhiro, JCP ~' 109 (1967).
(4) Hansler, Oetjen, JCP 21, 1340 (1953). (36) Weiss, Cole, JCP 46, 644 (1967).
(5) Benedict, Herman, Moore, Silverman, CJP ~' 850 (1956); (37) Code, Khosla, Ozier, Ramsey, Yi, JCP 1.2_, 1895 (1968).
JCP 26, 1671 (1957). (38) Lempka, Passmore, Price, PRS A~' 53 (1968).
(6) Legay, CaP 11, 383 (1957)1 RO J1, 11 (1958). (39) Webb, Rao, JMS 28, 121 (1968).
(7) Babrov, Ameer, Benesch, JMS J, 185 (1959). (40) Cade, Bader, Henneker, Keaveny, JCP ..iQ, 5313 (1969).
(8) Jacques, D.Phil. Thesis (Oxford, 1959). (41) Kaiser, JCP ..2.J, 1686 (1970).
(9) Jacques, Barrow, PPS 1J, 538 (1959). (42) Katz, Ron, CPL 1, 357 (1970).
(10) Mould, Price, Wilkinson, SA 16, 479 (1960). (43) Levy, Mariel-Piollet, Bouanich, Haeusler, JQSRT 10,
(11) Plyler, Tidwell, ZE 64, 717 (1960). 203 (1970).
(12) Rank, Birtley, Eastman, Rao, Wiggins, JOSA ..iQ, 1275 (44) Tilford, Ginter, Vanderslice, JMS JJ, 505 (1970).
(1960). (45) Toth, Hunt, Plyler, JMS J..2., 110 (1970).
(13) Rank, Eastman, Birtley, Wiggins, JCP JJ., 323 (1960). (46) Weiss, Lawrence, Young, JCP j_g_, 2867 (1970).
(14) Ben-Reuven, Kimel, Hirshfeld, Jaffe, JCP J.5., 955 (1961). (47) Rich, Welsh, CPL 11, 292 (1971).
(15) Leavitt, Baker, Nelson, Ramsey, PR 124, 1482 (1961). (48) Tilford, Ginter, JMS 40, 568 (1971).
(16) Goldring, Benesch, CJP 40, 1801 (1962). (49) Bunker, JMS 42, 478 (1972).
(17) Jaffe, Kimel, Hirshfeld, CJP 40, 113 (1962). (50) Hayes, Brown, PR A£, 21 (1972).
(18) Plyler, Thibault, JRNBS A 66, 435 (1962). (51) Khatibi, Vu, JCPPB .£2., 654, 662, 674 (1972).
(19) Rank, Eastman, Rao, Wiggins, JOSA j_g_, 1 (1962). (52) Rosenberg, Lightman, Ben-Reuven, JQSRT 12, 219 (1972).
(20) Watanabe, Nakayama, Mottl, JQSRT £, 369 (1962). (53) Bunker, JMS 12, 151 (1973).
(21) Gebbie, Stone, PPS 82, 309 (1963). (54) Smith, JQSRT lJ., 717 (1973).
(22) Jaffe, Friedmann, Hirshfeld, Ben-Reuven, JCP }2, 1447 (55) Terwilliger, Smith, JMS 12, 366 (1973); JCP Q], 1008
(23) I
Jones, Gordy, PR A 1J.2, 295; 1J.§., 1229 (1964). (1963). (1975).
(24) Jaffe, Hirshfeld, Ben-Reuven, JCP 40, 1705 (1964). (56) Kaiser, JQSRT 14, 317 (1974).
(25) Chamberlain, Gebbie, Nature 208, 480 (1965). (57) Boursey, JCP 62, 3353 (1975).
(26) Levy, Rossi, Joffrin, Thanh, JCPPB 62, 600 (1965). (58) Cherlow, Hyatt, Porto, JCP Qj, 3996 (1975).
(27) Nicholson, JCP .i.:l, 1171 (1965). (59) Meyer, Rosmus, JCP Qj, 2356 (1975).
(28) Rank, Rao, Wiggins, JMS 1.Z, 122 (1965). (60) Schwarz, CP 11, 217 (1975).
(29) Alamichel, Legay, JP(Paris) .fl, 233· (1966). (61) Ogilvie, Koo, JMS 61, 332 (1976).
(JO) Herman, Asgharian, JCP 12, 2433 (1966). (62) Douglas, Greening, unpublished.
(31) Levy, Rossi, Haeusler, JP(Paris) .fl, 526 (1966). (63) Watson, JMS ~' 99 (1973).
(32) Atwood, Vu, Vodar, SA A £J, 553 (1967). (64) de Leeuw, Dymanus, JMS 48, 427 (1973).
287
 288
State Te w
e
w x
e e B
e
()(
e De re Observed Transitions References
(lo- 4 cm- 1 ) {i) Design. I voo

2H3scl µ = 1. 90441364 0
0 = 4.485 2
D eva I.P. = 12.756 eV b DEC 1976 A

Numerous absorption bands above 123000 cm- 1 ; see 1HC.l. (25)

M ( lr:+) (117670) [1220] v=0 ••• 8 observed.} See 1HC.l. M~ X, 117214 (25)
L (1r:+,1n) 111268 1126 37 1 I I L~X, 110748 (25)
Many other absorption bands in the region 83000 - 93000 cm-1 ; see 1Hc.t. (27)
K ln (89945) [1858.8] z [4.9306]c [1. 3399] K+- X, R 89708.9 z (27)
H lr:+ (88944) [1631.8] z [4.6578] [0.14 ] [1. 3786] H+- X, R 88694.o z (27)
7
E lr:+ : (84417) [1186.9] z [3.2960] [-2.48] [1.6388] E+- X, R 83944.9 z (27)

fl 3t.l [83626.2] [5.210] [0.96] [1. 303] r

1 (--X, R 82560.4 z (22)
d z
D ln (82632) [1918.8] z 5.142 0.152 [2.o]d 1.312 D~X, R 82525.9 (22)

do
3
no [83350.3] [5.016] [l.35] [1. 328] d0 +- x, R 82284.5 z (22)
3
f2 l!.2 [83140.0] [5.32 8] [3.9] [1. 289] f2~ x, R 82074.2 z (22)

dl 3Ill [82855.0] [5.137]e [1.9]e [1. 313] dl +- x, R 81789.2 z (22)

d2 3 n2 [82695.6] [4.747Jf [-7]f [1.366] d2 +- X, R 81629.8 z (22)

c ln 77558.5 2027.1 z 34.98g 4.962h 0.120 [1.16] 1.336 C+- X, R 77497.6 z (9)(18)*

bo 3no [76548.o] [5.218] [1. 302] b 0+- X, R 75482.2 z (18)*

3
bl Ill 75199.J 2015.4 z 29.1 [5.l0 0]i o.12 j [3-5] 1.309 bl+- x, R 75133.9 z (9)(18)*
9
b2 3Il2 [75912.7] [4.905] [l. 343] b2~ x, R 74846.9 z (18)*
x lr:+ 0 2145.163 z 27.1825k 5.4487941 o.113291k l.39m 1.274581 Rot.-vibr. bandsnop (2)(3)(7)(8)
Rotation sp.P (1)(5)(21)
(23)
Mol. beam el. reson. q (16)
2Hc.t s Clpromnic lHCf.). ~el(v=O) = 1.1033 D, µef.(v=l) = 1.1256 D (16). Dipole
bFrom the photoelectron spectrum (19); via the A 2 ~+ state moment function (16)(24); see also (26). Quadrupole and
of DCt+ one finds 12.73 2 ev. other hyperfine coupling constants (16); see also (13).
cAverage B value; B(R,P) - B(Q) = + 0.1028.
dAverage B, D values; B(Il+) - B(Il-) = + 0.022 in v=O and (1) See ref. (4) of 1HCf..
- 0.006 in v=l. (2) Pickworth, Thompson, PRS A 218, 37 (1953).
eAverage B, D values; B(Il+) - B(Il-) - 0.022. (3) Van Horne, Hause, JCP £2, 56 (1956).
f Average B, D values; B( Il+) - B( II-) - o. 05 4 • (4) See ref. (5) of 1Hct.
gweye = + 0.39. (5) Cowan, Gordy, PR 111, 209 (1958).
hB (n+) -B 0 (n-) = + 0.0034 (9). Lines are slightly diffuse
0 (6) Burrus, JCP Jl, 1270 (1959).
but much sharper than in the corresponding 1HCL bands. (7) See ref. (10) of 1Hct.
~B(Il+) - B(Il-) = + 0.01 0 (9). (8) See ref. (19) of 1Hct.
Jv=l and 2 are increasingly diffuse. (9) Stamper, CJP 40, 1274 (1962).
kweye = + 0.08649, weze,= - oioo355, fe = + 0.0004589, (10) Crane-Robinson, Thompson, PRS A £2.g_, 441, 453 (1963).
8e(Y 31 ) = - o.~0002103 from HCL by isotope relations (8). (11) See ref. (24) of 1HCL.
Constants for H37ct in (2)(3)(5)(7)(15). (12) James, Thibault, JCP 40, 534 (1964).
f.The rotational constants, derived from infrared data (8), (13) See ref. (35) of 1HCL.
agree with the more recent microwave data of (21). (14) Corneil, Pimentel, JCP !;!2, 1379 (1968).
'"e=-o.013 x10 -4 ;He=2.J 1 xl0 -9 ( 7).
mil (15) See ref. (39) of 1Hct.
3
nl-0, 2-0, 3-0 bands in absorption (2)(3)(8), ~v=l sequence (16) See ref. (41) of 1Hct.
in emission (7); P(7), P(8), P(9) lines of the 2-1 band (17) See ref. (42) of 1Hct.
observed in D2 -ct 2 explosion laser (14). IR absorption in (18) See ref. (44) of 1HCL.
solid argon and other low-temperature matrices, hindered (19) See ref. (46) of 1HCf..
rotation (20). (20) Davies, Hallam, TFS Ql., 3176 (1971).
0
Absolute intensities [cm- 2atm- 1 ] of the (21) De Lucia, Helminger, Gordy, PR A J, 1849 (1971).
1-0 bands 66.6 (4) (22) See refo (48) of 1HCf..
2-0 bands 1.06 (4) (23) See ref. (52) of 1HCf..
3-0 bands 0.0059 (4) (24) s~e ref. (54) of 1Hct.
Ppressure broadening in the 1-0 band (both self-broadening (25) See ref. (55) of 1Hct.
and broadening by foreign gases) (10)(12), in the rotation (26) See ref. (56) of 1HCf..
spectrum (23); pressure shifts (11). (27) See ref. (62) of 1Hct.

289
 290
State Te we wexe Be a-e De re Observed Transitions References
(lo- 4cm- 1 ) (i) Design. I "oo

3H3sc1 µ = 2.77657153 D00 = 4 .507 8 eV a DEC 1976

x lE+ 0 [1739.10] z (18.64) [3.705089]b o.0611b o.77b 1.2749 Rotation-vibration sp. ( 2)
Rotation sp. c (1)
I I
~H 35 Cl + ng = 4.65 3 eva DEC 1976 A
2E+ 28626.5 b z b 7.5054bcd b
[ 6.435Je 1.5142 A4-X,f 28095. 97g z (1) (J) (5)
A 1606.47 40.Ji 0.3313 R

x 2n.
l.
oh 2673.69 1 z 52.537i 9.9566ljk o.3271 6 j [5.477]£. l.Jl468

2Hssc1+ °
n0 = 4.69 7 evm DEC 1976
A 22:+ 28629.2 b
z b 3.8595bn 0.1222
b
[1.717] 0
1.5144 A-+X, f R 28247. 65g z (1)(3)(5)
1152.09 20.45
x 2n.1 oP 1918.56 1 z 27.263i 5.12164qk 0.120J7q [1.459]r l.Jl466

1Hc1- DEC 1976 A

Resonances due to inverse preionization have been found in the transmission of
electrons through HCi. in the energy range 9.1 - 11.0 and 12.5 - lJ.9 eV. Interpretation (2)
analogous to HBr-o
x 2J:+ a
JHC! r aFrom ng(
1Hc.e). 1Hc.e+, 2Hc.e+ (continued)a
bB 0 from the microwave spectrum (1), ae and De from the mRefers to 2 n ; from D0O(DC!) + I.P.(C!) - I.P.(DCi).
infrared spectrum (2). (1)(2) give also data for T37c.e. 312
nSpin-doubling constants for v=0 ••• 9 in (3)(5);
cNuclear quadrupole coupling constants (J). f(v=O; N) = + 0.3060 - 8.6x l0- 6N(N+l).
(1) Burrus, Gordy 9 Benjamin, Livingston, PR .2,1, 1661 0
tt 0 = o.4ox 10-8 ; additional Dv , Hv values in (3)(5).
(1955); Pspin-orbit coupling constants for v=0,1,2 in (5);
A(v=O; J) = - 648.17 0 + 0.00095(J+~) •
2
(2) Jones, Robinson, JCP 24, 1246 (1956).
(J) Tokuhiro, JCP !±7., 109 (1967)0 qFrom B0 , B1 , B2 of (5)i Oe = + 0.00061.
1Hc.e+, 2HCJ,+1 rH 0 = + o.29x l0- 8 ; additional Dv' Hv values in (5).

a Refers to 2 n ; from n 0O(HCJ,) + I.P.(Cl) - I.P.(HC.e). (1) Norling, ZP 104, 638; 106, 177 (1937).
312 (2) Raftery, Richards, JP B Q9 1301 (1973).
bEquilibrium values of (3); G(v) and Bv are far from li-
near but higher terms in (v+~) have not been given. (J) Sheasley, Mathews, JMS !±7., 420 (197J)o
(3)(5) give Tv' Bv values up to v=6 (HC.e+) and 9 (DC.e+); (4) Haugh, Schneider, Smith, JMS j1, 123 (1974).
their Tv values differ systematically by rv 2. J4 cm- 1 • (5) Saenger, Zare, Mathews, JMS 61, 216 (1976).
cSpin doubling constants for v=0 ••• 6 in (3)(5); 1Hc.e-a aThe ground state X 2 ~+ of HCJ,- lies presumably above the
'('(v=O; N) = + 0.5942 - 0.000034N(N+l).
dHigher vibrational levels are predicted (2) to be pre- ground state X l~+ of HC.e; see (1).
dissociated by the 4 n state from H( 2s) + c.e+(Jp).
eH 0 = 2.3 0 x lo- 8 • Additional Dv, Hv values in (J) (5).
(1) Fiquet-Fayard, JP B z, 810 (1974)0
(2) Spence, Noguchi, JCP QJ., 505 (1975).
fvariation of transition moment with r derived from ob-
served intensities by (4) who also give Franck-Condon
factors.
gFrom (5)i (3) give 28098.35 (ac.e+) and 28250.08 (DC!+);
see b •
hspin-orbit coupling constants for v=0,1,2 in (5);
.A(v=O; J) = - 648.13 1 + 0.00209(J+~) 2 •
~From 6G(l/2) and fiG(J/2) of (5).
~From B0 , B1 , B2 of {5); te = + 0.0026 6 •
A-type doubL const. [p~ o.60(HCi+), o.3l(DC1.+)] in (5) •
.eH 1. 5 2 x 10 -8 ; additional Dv' Hv values in ( 5).
0

291
 292
State Te w wexe Be (X
De re Observed Transitions References
e e
( lo- 4cm- 1 ) (i) Design. 1 voo

4He2 µ = 2.00130163 De0 = 0.00090 eVa I.P. = 22.223 eve NOV 1976 A
D0 (a 3I:u)
+ = 1.850 eV b
1 + b
D0 (A I:u) = 2.355 eV
Rydberg series of npv 3ng levels
(b, e, i, t, p, r, s, t, u, ••• ) } v
d = 34302.20 - R/(n- 0.071) 2 , n = 2 ••• 17. (2J) (39)

np~
I
(c, g, k', n, p', r', s', t', ••• ) }
Rydberg series of JI:; levels d 2 n
v = J4302.20 - R/(n-0.777), = J ••• 12. (2J)(J9)

[1628.6 Je Z e e 0
1.081 u-?a, z
R JJ189.16 (23)
u Jng lOp'lr 177291 (35.25) 7.212 0.222 [5.03]
9
t• JI:; lOp~ [177969] [8.27]f t' -4-a, v 33026.6 z (23)
t Jn
g
9p'lr 177027 [1629.15Jg z (35.25) 7.212g o.23 g
0 [5.07]g 1.081 t-> a, R 32925.96 z ( 2J)
s' JI:+g 9pfi [177636] [8.o4i s •-+a, v J2693.2 z (2J)
h
s Jn
g 8p'lr 176658 [1629.Jo]h z (J5.25) 7.213h 0.22J4 5.1h 1.0806 s-+a, R J2556.66 z (2J)
r' JI:+g 8p6' [177154 J [7.7a]f r'-+ a, v 32211.7 z (23)
Jn (1700.56)i [7.1044]i i [5.oa]i [1.0889] r-+d, R 11625.3 z ( 39)
r g
7p1r 176117 (35.25)
r-+a, R 32016.56 z (23)
p' JI:+g 7p6" [176421] [7.54Ji p'-+ a, Jl478.6 z (2J)

r
Jn:
6d~ [176195]
6d1r[(176169)]

I
[7.092]j [5.o]j [l.0893]
q -7 c,
n 20J65
(20JJO)
20288
(1) (J9)

p
JI:+

Jn
u

g
6d6 [176120]

6p'I!" 175281 1701.18 z J5.J5 7.22ok 0.224 5.14 1.0801

q-+b,

p-+d,
H 26483
(26466)
26409
R 10788.68 z
(1)(39)

(J9)
p-+a, R 31179.9J z (2J)
0 JI:+ 6so [176001] [7.109] [5.l] [1.0885] 0-? c, v 20168.8 z (2)(39)
u
o-+ b, R 26290.3 z (2)(39)
 State Te w
e w
exe Be a-e De re Observed Transitions References
(lo- 4 cm- 1 ) (i) Design. l voo

4He1 (continued)
Jl:+ J.,
n 6p5 174J89 [1619.52] z (J6.5) 7.4754 0.2490 [7.21Jm 1.0615 n-+a, J028J.26 z (J) (67)

r
Jn
u 5d8 [17486J]
5d'1T[(l74778)]
} t7.09j~ [l.091]
m-4c,
n (190J9)
(18944)
18899
(39)

u
7.07
Jl:~ 5do [1747JO] m-+ b,
25152
(25070) (39)
25019
J., Jn
g 5p'lr 17J884 [16JJ.96]P Z (35. 25 7.226P o.222P [5.12]P 1. 0797 J.,-4 d, R 9J9J.9 z (39)
i.-+ a, R 29785.Jl z ( 2J)

He 2 1 aAverage of two independent values for the well depth ob-
tained from measurements of the total (44) and differen-
tial (45)(66) elastic scattering cross sections (0.88 8
and 0.90 meV, resp.). Ab initio values range from 0.78
5
to 1.04 meV (JJ)(4J)(51)(5J)(56)(64). Both experiment
and theory agree that no bound vibrational level exists
in the potential well, i.e. ng = O; see (27)(6J). A some-
what higher De value (0.99 meV) was derived (61) from the
temperature dependence of the relaxation time in dilute
JHe. For measurements of the short-range potential (0.49
< r(R) < 1.56) see (57); the long-range potential is d_is-
cussed by (28)(29).
bBased on ng(He 2+). From a detailed interpretation of the
Hopfield continuum and the 600 R absorption and emission
bands (49) derives De(A 1 L:~) = 2.50 eV.
cRelative to He( 1s) + He( 1s), i.e. I.P. (He 2 ) = I.P. (He) -
ng(He 2+). The I.P. for the lowest stable state (a Jl:~)
is 4.25297 ev.
dGiving the v=O,N=O levels (real or hypothetical) of np5
Jl:; and np'IT" Jn- relative to 2s6 JL:~, v=O, N=O.
0
eRefers to n-. ~ (Jn+) ~ 5.6, strongly affected by !,-uncoup-
ling.
fEffective value, strongly affected by .t-uncoupling.
gRefers to n-. B0 (Jn+) = 5.87, strongly affected by i,-uncoup-
ling.
hRefers ton-. B0 (Jn+)= 6.lJ, strongly affected by !,-uncoup-
ling.
iconstants refer ton-, B0 (Jn+)= 6.J7 affected by .t-uncoup-
5
ling. v=l is perturbed; approximate deperturbed constants
.for n-1 B1 = 6.88 6 , AG(~) = 1629.7.
Jstrong .t-uncoupling. The rotational constants (1) refer to
the average of n- and A-.
kRefers ton-. B0 (Jn+)= 6.6JO affected by .t-uncoupling.
!,Several small accidental perturbations.
mD = 6 • 8 x 10 -4 , H = 1 • x 10 -8 , H ~ - · 26 x 10-8 •
1 2 0 4 2 1
nAverage of n- and A- as given by (J9).
0
Average of l:+, n+, 6+ as given by {J9).
PRefers to n-.
293
 294
State w wx
e e Observed Transitions References
e
Design. J v 00

4
He 2 (continued)
k 3 ~+ 5so (173698) [1635.3] z 0.23 1.079 k-7 c, v 18683.5 z ()9)
u
k-+b, R 24804. 8 Z (J9)
1686.90 z JS.lo 7.379a 0.349b 1.0684 k' -+a, R 28127.58 Z (67)
1702.24 c
d 1658J.18c z
~
z 35.07 7.2oa 8 c 0.2248 1.0810 v
e j-+ c' { 16400. 69~ z (50)
1680.94c Z 40.81 7.186 0 c 0.2296 1.0827 16316.54
Strongly perturbed by !-uncoupling h V 22704.5~ Z
f j-+b, 22522.of z (50)
1669.79 J9.09 and by interaction with the h state. {
R 22437.8
i 3n g 4p~ 171290 [1637.94]g z (J5.25) o.223g i~a, R 27193.01 Z (23)(39)
h 3~+ 4s6 (170884) [1637.9] z 0.23 h-+ c, v 15870. 7 z ( 2) (39) ( 50)
u
h-+ b, R 21992.2 Z (2)(39)(50)*
4p6' 167714 [1589.92] z (41) 7$2207 0.247g [5.38]i 1.0801 g-ta, R 23597 ~00 Z (67)
3dd 166303 1706.82 z J.5.10 7.23oj o.227k [5.26]1. 1.0794 v 11316. 06 z
0
f-t c,
{ 10864. 53 z (17)
Jd'Fr 165877 m 1661.48 z 44.79 7.136j o.235n [5.34] 1.0865 R 10659.33 Z
7.071j 0.246P [5.Jl]q V 17437.3 Z (13)*
3d6' 165685 1635.77 z 44.41 1.0914 f-t b, 16985.8 z (13)()9)
{ 16780. 6 z
R

1721.22 z .5.22 1.0754 e~a, u R 21507.26 Z (36)

1728.0l z 5.32 1.0712 d~c, V 9502.7 Z (13)
d-?b, Ry 15623.l Z (13)*
x [.5 • .56]z c-+ a, 10889 .48 Z (11)
1.583.8.5 z .52.74 7.0048 1.0966 R

35.02a' b' [5.JO]d' 1.0635 b-+ a, 47 68. 2 ( 5) ( 14)

1769.07 z 7.4473 R Z
11
1808.56 z 38.21e'f' 7.7036g' 5.56 1.0457 (a- X) 144935j'
I
aseveral small accidental perturbations. uObserved in absorption in a pulsed discharge (19).
b
f e = + 0.030. vw y = - 0.1267•
we e
cThe vibrational and rotational constants refer to n- and tx e
= - 0.0027 3 •
6- which are less affected by l-uncoupling. weye = - 1.2566, weze = - o.4875.
doe = - O.OOJ30 y + o.1629(v+t) 2 - 0.0655(v+i)J.
eoe = - 0.00460 zD
1 5. 7 6 x 10 -4 , D 2 = 6 .11 x 10 -4 9 • • • ; H 0
fconstants refer to N' = 1. -8 -8
a'H1 -0. 4 0 x 10 , H2 -5.Jx 10 , •••
gconstants refer to Jn-$ ,weye = - 0.048 3 •
h(50) give average effective constants for the four inter- b The constants refer to Jn- and were derived by (lJ) from
. acting components j(J6~, Jn~, JE~) and h J~~~ the d, f-+ b bands; B( 3n-) - B( Jn+} i::: + o. 026. The triplet
1 -8 splitting is partially resolved in the d-+ b bands ( lJ) o
.Ho= 2. 0 x10
JThese constants are corrected for l-uncoupling effectso c'
V" = - 0.001700
d,oe -4 8 8
koe = - o.0046@ D = 5.J4xl0
1 , eu; H0 = 2.8 0 xl0- 9 H1 = J.6 0 xl0- , . u
l D = 5.2 8 x 10 -4 , D = 5.5 x 10 -4 , H = 2. 5 x 10 -8 • e' 6
1 2 0 0 f'weye O.Jg (J ).
mAb initio calculations off 3rru and F 1nu (10)(26) ·yield There is good experimental (20)(JO) and theoretical (7)
excellent agreement with the observed constants and con- (21)(48) evidence for a potential maximum in this state.
firm the presence of substantial potential maxima; see (20) place the maximum at 0.067 eV above the asymptotes
also ( 9) c the net dissociation energy is 1.850 eV.
n'ti - 0.0069 .. g•From molecular beam magnetic resonance experiments (58)
o e -4 4 8
D
1 5.J4x 10 , D2 = 5.7 4,x 10- P H0 = 2.9 x io- .. (65) have determined the triplet splitting for N=l and J.
pfi - 0.0095., The splitting constants (extrapolated to N=O) are A =
qD~ = 5.)4xlo-4 , D2 = 5.45x10-\ H0 = o.91 x10-8 0 - 0.03666, '(= - 0.0000808 cm-1 • An ab initio calculation
rThe rotational constants refer to n- (J6) 1 B(Jn-) - B(Jnt) (55) gives A= - 0.04089.
~+ 0.072 • Slightly different constants were given by (4)
h'
r.
1. • e
= - 0.00462 (J6)
0
-4 8
who also derived ·constants for JHe 2 • f3c = + 0.07xl0 ; He~ 2.7x10- (36).,
s r .' e 3 + 1
J Energy of a Eu,v=O,N=O above He( S) +He( S), based on
1
weye = - 0.03 8 • See also
tte = - 0.0013 8 ., a + -1
D0 (He 2 ) = 19073 cm • See also c' p. 297 •

295
 296
State Te ·w wexe Be «e D
e re Observed Transitions References
e
(lo- 4crn- 1 ) (i) Design. I voo

4 He 2 (continued)
s ln 8p'll'" [177 51.5] (7.21) (0.22) (1.081) S-+A, R 30228.6 z (39)
l g (0.22) ( 1. 080) z (39)
R Ilg 7p'IT [176983] (7.22) R-+A, R 29696.4
P ln 6pir [176160] (7.22) (0.22) (l.080) P-+A, R 28873·9 z (J9)

L
t
1
lE+
ln
n:
u
_5d8[(1748J8)]
.5d'fr[(l74788)]
.5d6'[(174748)]
5p1r [ 174794 J
t7.09j~
7.07

(7.23) (0.222)
[1.091]

(1. 079)
M-+B,

L-+A,
{
R
(24050)
(24000)
(23960)

27507.8 z
(J9)

(39)

r
g
4dS [172416] [7.097JC [5.0] [1. 0894] 1418). 90~ z
J-+C, { : 14058.J? dz (50)
J ln: 4d11" [172290] [7.08o]c [5.4] [l.0903] 13990.32
lE+ 4d6 [172222]d Strongly perturbed by !-uncoupling and interaction with H 1 E~.e 21627.9~ z
u J-+B, { : 21502.4d z (50)
21434.3
I ln 4pir [172266] (7.242) (0.223) (1. 078) I-+A, R 24979.6 z (39)
g
H lI:+ 4so [171951] (7.26) 9
(0.23) (1.077) H-+C, v 13719.5 z (J9) ( 50)
u
z

r
H-.B, R 21163.5 ( 39) ( 50)
Jd~ 166304 1706.59 z 35.06 7.23og o.225h [5.2o]i 1.0794 16360.9 z
F
l u
nu
lE~
3dTr 165971 f
3d6' (1,65813)
1670.57 z 40.03
[1564.25] z (40)
7.156g
7.098g
0.235
0.246
[5.24]j
[5.21]k
1.0849
l.0894
F-+B,
{: 16008.3
15837.5
z
z
(12)(17)

J, m n 19476.61 z (J6)
E ln
g 3p1f' 165911 1721.19 z J4.76 7.2705 0.2156 5.20 1.0764 E-+A, R

D lE+
u 3s(J' 165085 1~46.43 z 35.54 7.365 0.218 0° 5.24P 1.0694 D-+B, q Ry 15161.81 z (12)
D-+X,r continuum
c lI:+ Jpo 157415 1653.43 z 41.04 8 7.052 o.215t 5.08U 1.0929 C-+A, R 10945.50 z (11) (39)
1 g
B Ilg 2pll" 149914 1765.76 z 34.39v 7.403W o.216w 5.02w 1.0667 (B-A) 3501..Sx
z a• A~X, b' 147279C'
A lI:+
u 2s6" 146365 y 1861.33 z J5.23 7.7789 0.2166 5.44 1.0406 (8)(18)(22)
Hopfield continuum (38)
 State Te w w x Be cxe De re Observed Transitions References
e e e
(10-4cm- 1 ) (~) Design.
l voo

4-He 2 (continued)
x li:+
g 0 Repulsive potential with very small well (De= o. 90 meV). J 2.97d'

aAverage of n- and 6- as given by (39). u

(3e = + o .1 0 x lo -4 ; H0 = 1. 7 2 x 10 -8 , •••
bAverage of i:+, n+, 6+ as given by (39). vweye = - 0.026 (12).
7
cThese constants refer to n- and 6- which are less affected wB refers to 11-; B(Il-) - B(Il+) = + 0.0191 Oe = - 0.001 ,
5
by !-uncoupling. xF~om (39). . I /3e = + o.05x lo- 4 (12).
dRefers to N=l. YRKR potential curve (J4)[see also (39)]; ab initio poten-
e(50) give average effective constants for the four inter- tial (42). The latter gives vibrational and rotational
acting components J( 6~, n~, i:~) and H i:~.
1 1 1 1
levels in good agreement with the experimental values. (8)
fSee m p. 295 • have established, from the absorption and emission bands
are corrected for !-uncoupling effects. near 600 ~' a potential maximum of 0.059 eV in the A 1 i:~
- 0.0045. state. Theoretical work by (15)(16)(47) gives maxima of
5.26 x lo-4 , H0 2.1 8 xl0 -8 • 0.084, 0.153, 0.061 eV, respectively, see also (59)(60).
4 -8
5 • 2 6 x 10 - , H 0 1. 97 x 10 • zw y = - 0.136 (36).
4 a' e e
5.29 x lo- •
b' e
t = - 0.00273 (36).
l +
Transitions from the low vibrational levels of A i:u to X
1 i:; give rise to the Hopfield continuum; see MOLSPEC 1, 404.
+ 0.044. Transitions from the high vibrational levels as well as the
n
oe - o. 00227" continuous range of energy levels of A 1 i:~ to X 1 i:; give
oOe = - 0.0059· -4 rise to diffuse bands near 600 R observed in emission (18)
P/3e = + o.1 x10 • (22) and absorption (8)(38) with quite different intensity
9
qFranck-Condon factors (25). distribution. See also (6)(37) and (31)(52)(54). Observed
rThe weak maximum near 676 ~ in the Hopfield continuum is absorption coefficients near 600 R (JS) agree fairly well
ascribed by (37) to the transition D~X. with those predicted by (41).
sweye + 0.354 , weze = - 0.131 • Calculations of (47)
9 5 c'Energy of the v=O,N=O level of A 1 i:+ relative to He( 1 s) +
give a potential hump of 0.22 eV at 2.09 ~; see also (59) He( 1s), calculated from the corresp~nding value for a Ji:+ by
u
tfe = - 0.0111. I and (60). (continued p. 299)

297
 298
State Te we wexe Be t'Xe De re Observed Transitions References
(lo-4 cm- 1 ) (~) Design. l voo

4 He 2+ µ = 2.0011645 n0O = 2.J 6 5 ev a NOV 1976 A

A 2E+
g Repulsive state arising from He(l 1s) + He+(1 2s). b (4)(6)(8)
x 2r+
u 0 1698.5
c
35·3
l 7.211c 0.224
J 5.1
f
1.0808 (9)(10)(14)

4He2++ µ = 2.0010273 NOV 1976 A

Calculations of excited states by (J)(5).
x lE+g
l
9
(J295)d
l J (0.704) (1) (2) (7)

He 2+ , He 2++ 1
8From the theoretical De= 2.469 ± 0.006 eV (12). From He-He+ 82200 cm- 1 • He 2 ++ has not yet been found mass-spectro-
differential scattering cross sections (6) and (lJ) obtain metrically, nor has its spectrum been observed.
De= 2.34 and 2.55 eV, respectively.
bThe potential functions of several excited states have been (1) Kolos, Roothaan, RMP ,J,g, 219 (1960).
calculated by (4)(11). A2E+, the lowest 2r+g state, has a (2) Fraga, Ransil, JCP JZ, 1112 (1962).
g . 0
very small van der Waals minimum at 5.3 A and a hump near (3) Browne, JCP 42, 1428 (1965).
o.8 j caused by an avoided crossing with the second lowest (4) Browne, JCP .i;i, 2707 (1966).
2E; state; see (8). The states 4 E~, 2 r;,
2
E~ arising from (5) Jennings, JCP 46, 2442 (1967).
He(23s)+He+(1 2s) are found to have minima with De~ 1.1, (6) Olson, Mueller, JCP 46, 3810 (1967).
0.57, o.46 eV, respectivelyr several other states are (7) Conroy, Bruner, JCP 12, 921 (1967).
purely repulsiveo (8} Gupta, Matsen, JCP 12, 4860 (1967).
cConstants obtained by extrapolation from the np~ Jng Ryd- (9) See ref. (2J) of He 2 •
berg series of He 2 ; they agree with values derived from the (10) See ref. (JO) of He 2 •
theoretical potential function of (4} and (8). (11) Bardsley, PR A], 1317 (1971).
dTheoretical value (2). (12) Liu, PRL £Z, 1251 (1971).
eThe theoretical potential function according to (2)(7) (lJ) Weise, Mittmann, Ding, Henglein, ZN 26 a, 1122
shows a local minimum at 0.704 j and 69600 cm- 1 above He++ ( 1971).
He+, separated from this limit by a maximum at 1.151 j and (14) See ref. (46) of He 2 •
He 2 (continued)a
adding the energy difference 6v = 2J4J.91 ± 0.05 cm-l as
determined by (62) from singlet-triplet anticrossings.
Optical measurements give 6v = 2J44.l cm-1 (JO). The re-
lative position of the levels is much more accurately
known than their absolute values.
d'From differential elastic scattering measurements (45)(66).
(1) Dieke, ZP 22, 71 (1929).
(2) Dieke, Imanishi, Takamine, ZP 22, J05 (1929).
(J) Jevons, "Band Spectra of Diatomic Molecules",
Physical Society, London (19J2).
(4) Dieke, Robinson, PR 80, 1 (1950).
(5) Hepner, Herman, CR~' 1504 (1956).
(6) Tanaka, Jursa, LeBlanc, JOSA 48, J04 (1958).
(7) Poshusta, Matsen, PR l:J.g, JO? (196J).
(8) Tanaka, Yoshino, JCP J.2., J081 (196J)1 2.Q, J087 (1969).
(9) Mulliken, PR A .!J.2., 962 (1964).
(10) Browne, PR A 11§., 9 (1965).
(11) Ginter, JCP 42, 561 (1965).
(12) Ginter, JMS .J:.Z, 224 (1965).
(lJ) Ginter, JMS 18, J21 (1965).
(14) Gloersen, Dieke, JMS 16, 191 (1965).
(15) Allison, Browne, Dalgarno, PPS §.2., 41 (1966).
(16) Scott, Greenawalt, Browne, Matsen, JCP 44, 2981 (1966).
(17) Ginter, JCP !±J., 248 (1966).
(18) Mies, Smith, JCP !±J., 994 (1966).
(19) Callear, Hedges, Nature~' 1267 (1967).
(20) Ludlum, Larson, Caffrey, JCP 46, 127 (1967).
(21) Klein, Greenawalt, Matsen, JCP !±1_, 4820 (1967).
(22) Smith, JCP !±1_, 1561 (1967)1 .i2_, 4817 (1968).
(23) Ginter, Ginter, JCP 48, 2284 (1968).
(24) Murrell, Shaw, MP 1.2, J25 (1968).
(25) Zhirnov, Shadrin, OS(Engl. Transl.) 24, 478 (1968).
(26) Gupta, Matsen, JCP 2.Q, J797 (1969).
(27) Murrell, MP 16, 601 (1969).
(28) Alexander, JCP ,.2£, JJ54 (1970).
(29) Bruch, McGee, JCP j,g, 5884 (1970).
(JO) Ginter, Battino, JCP j,g, 4469 (1970).
(Jl) Michaelson, Smith, CPL£, 1 (1970).
(J2) DONNSPEC (1970).
(JJ) Schaefer, McLaughlin, Harris, Alder, PRL £2,, 988
(1970).
(J4) Smith, Chow, JCP 2£, 1010 (1970).
(J5) Bennewitz, Busse, Dohmann, CPL~' 235 (1971).
(36) Brown, Ginter, JMS 40, J02 (1971).
(J7) Chow, Smith, JCP ..2,i, 1556 (1971).
(J8) Chow, Smith, Waggoner, JCP ..5j, 4208 (1971).
(39) Ginter, in (32).
(40) Liu, PRL .£'.Z., 1251 (1971).
(41) Sando, Dalgarno, MP 20, lOJ (1971).
(42) Mukamel, Kaldor, MP 22, 1107 (1971).
(4J) McLaughlin, Schaefer, CPL 12, 244 (1971).
(44) Bennewitz, Busse, Dohmann, Oates, Schrader, ZP £21,
435 (1972); PRL £2,, 533 (1972).
(45) Farrar, Lee, JCP ..2.§., 5801 (1972).
(46) Ginter, Brown, JCP ..2.§., 672 (1972).
(47) Guberman, Goddard, CPL 14, 460 (1972).
(48) Gupta, MP ..£1, 75 (1972).
(49) Sando, quoted by (46).
(50) Brown, Ginter, JMS 46, 256 (197J).
(51) Liu, McLean, JCP 2.2, 4557 (197J) •.
(continued p. JOl)
299
 300
State T w Lil x Observed Transitions References
e e e e
(.R) Design. l v 00

4-Helf- 0Ar e
Do= 0.0024 eVa SEP 1976 A
x lr;+ 0 Only v=O is bound; see ( 6)
l 3.51a Translational sp.b ( 1)

Lf-He 40Ar + D (A 2 I:+) = 0.19 eVa

e SEP 1976
Two broad groups of bands with partially resolved rotational struc- 6863oc
A 2r;+ ture. No vibrational assignments. 701)0 (2)*

X2 (~)
x1 (t, ~)
1500
0 } Arising from He + Ar+( 2P ground state splitting 1432 cm- 1 ).

4
He'H µ = 0.80510570 Deo= (0.003) eva SEP 1976 A
Excited states derived from He(ls 2 ) + H(2s,2p) and from He(ls2s,ls2p) + H(ls) have been calcu-
lated by (1)(4) and (J), respectively. Several of these states have dissociation energies of
the order of 2 eV.
Calculated potential function (J)1 comparison with H-He scattering Translational sp.b
results (2).

ng =
(1.8450) eva SEP 1976 A
1
Several other excited r: states calculated by (8), lowest l,Jn states by (2); see also ( 1).
A lr;+ (104707) [(157-5)]b I (2.9) (A- X)c (10)244) (12)
a JI:+ ( 10427 J) [(297-6)] Theoretical data (2.3 6 ) (a- X) (102847) (12)
x lr;+ 0 (J228.4) (157.71)d j (J4.887)e (2.6J6 2 )d (1.61) (0.774J) (11)

HeArs 8From molecular beam scattering measurements; average of (2) Matcha, Nesbet, PR 160, 72 (1967).
values given by (4) and (5). (J) Bar-Ziv, Weiss, CPL 12, 148 (197J).
bDipole moment function from ab initio calculations (2) (4) Chen, Siska, Lee, JCP 22_, 601 (197J).
and from translational absorption spectra (J). (5) Smith, Rulis, Scoles, Aziz, Duquette, JCP .2.J., 2250
(1975).
(1) Bosomworth, Gush, CJP .il, 751 (1965) (6) Bobetic, Barker, JCP 64, 2367 (1976).
HeAr+1 ~rom He+-off-Ar elastic scattering data (1).
bA-+ x1 is stronger than A~ X2 •
cThe transition energy is close to the difference of
He+ Ar+ and He++ Ar which is 71201 cm-1 • This agreement,
together with the characteristic splitting of the lower
states, makes the explanation by (2) of the observed
bands as a charge transfer spectrum very convincing.
(1) Weise, BBPC 1.J.., 578 (1973).
(2) Tanaka, Yoshino, Freeman, JCP 62, 4484 (1975).
~heoretical value (3); 0.0007
3 eV {5) seems less likely
to be correct considering that D~{He 2 ) = 0.00090 eV.
bTheoretical intensity distrib.(5)1 no experimental data.
(1) Michels, Harris, JCP J..2, 1464 (1963).
(2) Fischer, Kemmey, JCP jJ, 50 {1970).
(3) Miller, Schaefer, JCP jJ, 1421 (1970).
(4) Slocomb, Miller, Schaefer, JCP ..22, 926 (1971).
(5) Ulrich, Ford, Browne, JCP 22., 2906 (1972).
~heoretical value (11) from the potential function of (9)
O 2.0402 eV. Proton scattering
(10); De= • •
by He gives DO
e (11)
2.0 0 ev (4).
b~G(3/2)= 78.8, zero-point energy 112.1, derived by (12)
He 2 (continued)1
(52) Mukamel, Kaldor, MP 26, 291 (1973).
(5J) Bertoncini, Wahl, PRL £2, 991 (1970); JCP .2§., 1259
(54) Peatman, Wu, CP ~' JJ5 (197)). I (197)).
(55) Beck, Nicolaides, Musher, PR A 10, 1522 (1974).
(56) Kleinman, Wolfsberg, JCP 61, 4366 (1974).
(57) Foreman, Rol, Coffin, JCP 61, 1658 (1974).
(58) Lichten, Mccusker, Vierima, JCP 61, 2200 (1974).
(59) Andresen, Kuppermann, MP JQ, 997 (1975).
He 1H+ (continued)s
from the potential function of (9); see also (8).
cFranck-Condon factors for bound-continuum transitions (3).
dw e y e = + o.454, ~
oe = - 0.0305. A number of quasi-bound
levels (below the centrifugal barrier) have been observed
(5) in the momentum distribution of protons formed in the
predissociation of HeH+J they have been calculated by (6)
(7) (10) (11).
eµet(referred to the center of mass) = 1.66 D (11).
(1) Michels, JCP 44, 3834 (1966).
(2) Hoyland, JCP ~' 49 (1967).
(3) Sizun, Durup, MP 22, 459 (1971).
(4) Weise, Mittmann, Ding, Henglein, ZN 26 a, 1122 (1971).
(5) Schopman, Fournier, Los, Physica QJ., 518 (1973).
(6) Peek, Physica 64, 93 (1973).
(7) Bernstein, CPL ..s2_, 1 (1974).
(8) Green, Michels, Browne, Madsen, JCP 61, 5186 (1974).
(9) Kolas, IJQC 10, 217 (1976).
(10) Kolos, Peek, CP 12, 381 (1976).
Dabrowski, Herzberg, N.Y. Acad. Sci. (II) J..§., 14 (1977).
(12) Dabrowski, Herzberg, unpublished.
(60) Guberman, Goddard, PR A 12, 120) (1975).
(61) Chapman, PR A 12, 2JJJ (1975).
(62) Miller, Freund, Zegarski, Jost, Lombardi, Derouard,
JCP _QJ, 4042 (1975).
(6J) Poulat, Larsen, Navaro, MP lQ, 645 (1975).
(64) Snook, Spurling, JCS FT II 1.1, 852 (1975).
(65) Vierima, JCP 62, 2925 (1975).
(66) Burgrnans, Farrar, Lee, JCP 64, 1J45 (1976).
(67) Orth, Ginter, JMS 61, 282 (1976).
301
 302
State w
e
w x
e e Observed Transitions References
Design. I v 00

De(A 2 I:+) = (0.849 5 ) eVa SEP 1976 A

Potential functions of several states calculated by (1) (2). Only A 2E+ [from H(ls) +He++] has
a minimum. Satisfactory agreement with charge exchange experiments [He+++H~He++H+; (2)].
(950)a (39)a j (2.05 )a
9
Repulsive state (corresponding to He++ H+) •
.1.

+HeCSlt-)Kr (µ. = J.8203705) De0 = 0.0021

eVa SEP 1976 A
x lE+
3
Doubtful whether any level other than V=O is bound (2). l 3.75a

4 He<M·>Kr + De(A 2I:+) = 0.22 eva SEP 1976

A 2i:+ Two broad groups of partially resolved bands, no vibr. assignments. A-+X 2 , 78370b (2)*
A-+Xl' VR 83820
X2 (i)
Xl Cid::)
5450
0 } Arising from He+ Kr+( 2P ground state splitting 5371 cm- 1 ).

4 HeC10)Ne (µ. = 3.33493065) DeO = 0.0012 eVa ; n0O= ( 0.0002 ) eV, see (4). SEP 1976 A
3 3
Similar but unclassified bands near other strong Ne lines. (2)
F [120]b Progression of five bands converging to Jd'[f]lu of Ne. Fi- X, c 162050 (2)
E [4o]b Progression of six bands converging to Jd[i-]lu of Ne. E+- X, c 161340 (2)
D [JO]b Progression of four bands converging
over a maximum to 4s'[t]lu of Ne. D+-X, c 159590 (2)
c [lOO]b Progression of six bands converging to 4s'[i]lu of Ne. C+- X, d v 159050 H (2)
B [4o]b Progression of four bands converging
over a maximum to 4s[~]lu of Ne. B+- X, c 158860 (2)
A [150]b Progression of three bands converging to 4s[ fllu of Ne. A+-X,d v 158440 H (2)
e
x lI:+ 0 Only V=O is bound, see (4 ).
l l J.2la
 State Te U) U) x Be ae De re Observed Transitions References
e e e
c10- 4 cm- 1 ) {i) Design. 1 voo

+He 10 Ne+ Dg
= o. 69 2 ev8- APR 1978
RKR potential curves (7), theoretical potential functions (4).
( 0-6) =
R v24970.
B 2r;+
2
A2 /1;2
(30233)
(6649)
152.649 z
[129.69] z
21. 718b o.72116c
[o.86571]g
o.08978d
h
[o.855]e
[1. 592]e
2.64752
2.3186
B-+X,
B-+ A2 , R 23590.23
73f z
z } (l)* (2)
(6)* (7)*

Al Il3;2 Not yet observed.

x 2r;+ 0 (1308.3)f (84.8)i (2.99l)j (0.19l)k ]6 = 2.098 ej ( 1. 300)

He 1H++ 1 aTheoretical values ( 1) ; Te is re la ti ve to He++ H+. HeNe+ (continued)1

(1) Bates, Carson, PRS A~' 207 (1956).
(2) Piacentini, Salin, JP B 1, 1666 (1974).
HeKr1 8From molecular beam scattering measurements (1).
(1) See ref. (4) of HeAr.
(2) See ref. (6) of HeAr.
HeKr+1 8From He+-off-Kr elastic scattering data (1).
bThe transition energy is close to the difference of
He++ Kr and He+ Kr+ which is 85396. See c of HeAr+.
(1) See ref. (1) of HeAr+.
(2) See ref. (2) of HeAr+.
HeNe1 8From molecular beam scattering measurements (3).
bFirst observed bG, not necessarily bG{t).
every diffuse features.
dniffuse band heads.
eTheoretical dipole moment function (1).
(1)(3)(4) See ref. (2)(4)(6), resp., of HeAr.
(2) Tanaka, Yoshino, JCP :iJ.., 2964 (1972).
HeNe+1 8Extrapol. to V=O from the lowest observed ground state
level (v=6)~ The more accurately known D6°=882.5 cm- 1
is based on a short extrapolation of the vibrational
levels.in B 2 E+.
bwey e = +1. 005. D 0 = 292. 8, De= 364. 0 cm- 1 ( 7) confirming the
less precise value from elastic scattering data [He++ Ne,
cNo spin doubling observed. A hfs splitting I
see (5)].
of l"V0.30 cm- 1 occurs in the spectrum of 3HeNe+ (7).
d
¥'e = -o. 00348.
eFor other D and higher order constants see (7).
f v
Only v"=6 ••• 9 observed because of Franck'.'"Condon factors;
M"(6t, ••• ) = 341.59, 233.42, 146.27. Vibrational numbering
established by the study of the spectrum of 3tteNe+ (7); see
gVery large n-type doubling. Rotational struc- I
also (3).
ture similar to that of a 2E- state with 0o = +O. 3047 0 •
h
. B1 = O. 71658.
. e y e = + ( 1. 5 ) •
J.w
Jsee f, B6 ••• B = 1.58983, 1.35-755, 1.09037, 0.8431. Large
9
k spin splitting, r6 = +0.82985. For other Y°'v and higher order
re= -co.003a>. Iconst. see <7) .•
(1) Oskam, Jongerius, Physica 24, 1092 (1958).
{2) Fache, CR~' 2145 (1963).
(3) Henderson, Matsen, Robertson, JCP 1.J, 1290 (1965).
(4) Sidis, Lefebvre-Brion, JP B ~' 1040 (1971).
(5)(6) See ref. (1)(2), resp., of HeAr+.
(7) Dabrowski, Herzberg, to be published.
303
 304
State Te w we x e Observed Transitions References
e
Design. 1 v 00

4HeCl32>xe (µ = J.8847222) DO= 0.0021 eV a

e 7 SEP 1976 A
0
DO = (0.0010 3 ) evb
lr;+
x
J 1 Translational sp. (1)

4HeCl32.lXe + D (A 2r:+) = 0.28 eVa SEP 1976

e
Two broad and only partially resolved groups of indistinct band
A 2r;+ heads; no vibrational assignments. ( 2)

X2 {t) 10720
Arising from He + Xe+( 2P ground state splitting 10537 cm- 1 ).
X1 <ht> 0

IHl9F µ = 0.95705545 I.P. = 16.039 evb JAN 1977 A

Rydberg levels converging to the ground state of HF+ have been ob- (44)
served in the electron energy loss spectrum.
D lr;+ Two strong bands between 104000 and 116000 cm- 1 , not yet analysed. D~X, (JO)

c ln (105820) [2636] 1 [16.0] I [1.04 9 ] c~ x, R 105090.8 ( 2.5)( JO)

b Jn Absorption bands above 100000 cm- 1 , not yet analysed. b~ x, (25)

B lr;+ 84776.65 1159.18 z 18.005c j 4.0291d
o.0177e l.932f B~X,g R 8JJ04.96 Z ( 3) (JO)*

A Continuous absorption starting at 60600 cm- 1 .h ( 2)

x lr;+ 0 4138.32i z 89.88j 20.9557ikl o.798m 21.51n Rot.-vibr. sp.opq (6)(7)(10)

(19)
Rotation sp.rq (9)(11)(16)
Mol. beam el. reson. s (8) (20) (26)
(Jl)
Mol. beam magn. reson. t (5)
HeXei aFrom molecular beam scattering measurements (2).
bTheoretical values from (J).
(1) Marteau, Vu, Vodar, CR B 266, 1068 (1968).
(2) See ref. (4) of HeAr.
(J) See ref. (6) of HeAr.
HeXe+1 aFrom He+-off-Xe scattering data (1).
bThe transition energy is close to the difference of He +
Xe+ and He++ Xe which is 100477 cm- 1 • See c of HeAr+.
(1) See ref. (1) of HeAr+.
(2) See ref. (2) of HeAr+.
lHFa aFrom the limiting curve of dissociation for the ground
state (JO); seek.
bFrom photoelectron spectra (J2)(41). Earlier photoioni-
zation studies yielded 16.00 eV (2J), a value strongly
7 ened lines near these limits have been observed (JO). From
affected by the presence of autoionizing Rydberg levels
in the threshold region (41). The second ionization po-
tential (removal of a Jo electron) from the photoelec-
tron spectrum (21)(41) is 19.118 eV in agreement with
the value derived from the spectrum of HF+. The third
and fourth ionization potentials (removal of a 25 and
lo electron, respectively) are J9.61 (J8)(J9) and
694.25 eV (J9); these are vertical potentials from X-ray
photoelectron spectra.
cw y = + o.184; the vibrational and rotational constants
w:r: obtained from a fit to the seven lowest vibrational
levels (JO). See g.
dRKR potential curves (4)(JO).
e - o.00095o(v+t) 2 + o.oooo6ol(v+t)J; see c
f + o.182x io-4(v+~) + o.0055lx lo-4 (v+t) 2 1 see c
gVery extensive band system (also called V- X) extending
in absorption from 96000 to 117000, in emission from
1HF (continued)1
J6000 to 70000 cm- 1 • Strong perturbation~ above v'=27, but
bands have been identified to v'=7J. The B (or V) state was
also observed in the electron energy loss spectrum (44).
hHF is quite transparent to 1650 ~ (2). Theoretical poten-
tial curves for three repulsive states ( J Il, 1 Il, J~+)
~
.
ari-
sing from ground state atomic products were given by (42).
1 Introduction of the Dunham correction (19) gives we =
4138.767 and B = 20.9561.
j+ o.9o(v+!)J- ~.OllO(v+~) 4 - o.00067(v+!) 5 , v~ 9 (19). A
different formula for higher vibrational levels (v~l9) was
derived by (J). All levels up to the last (v=l9) are tabu-
lated in (JO).
kFor v=l4 ••• 19 the rotational levels break off at decreasing
J on account of predissociation by rotation. A few broad-
the limiting curve the dissociation energy 47JJJ ! 60 cm- 1
has been determined (JO).
!RKR potential curves (4)(JO), Dunham potential coefficients
(19)(43). Ab initio calculations of molecular constants
(27)(J4)(J7)(42).
m+ o.0127(v+t) 2 - o.ooo44(v+t)\ from (19).
n-o.68x10-4(v+~)+0.029xl0-4(v+~) 2 , He= l.59xlo-7; from
(19), see also (6).
0
1-0, 2-0 bands studied in absorption under high resolution
by (7)(19), J-0, 4-0, 5-0 in the photographic infrared by
(1)(10). In emission, rotation-vibration bands have been
studied by (6) and (40), the latter extending the chemical.
laser emission, first observed in the 2-1 band by (15), to
v=9 and bv=6. Electric discharge induced laser emission in
the J-2, 2-1, 1-0 bands, see (12) (24).
(continued on p. JO? )
305
 306
State Te we wexe Be ae De re Observed Transitions References
(lo-4 cm-1 } (~} Design.
I voo

2H'9F µ = 1.82104540 D00 = s.938 eVa I.P. = 16.0.58 evb JAN 1977
B lE+ 84824.oc 8J9.4 z 8.90 2.1210 0.00712 0 • .554Jd 2.0891 B-7 X, R 83753.8 z (2)
x lE+ 0 2998.19 2e z 45.76 1 ° ll.Ol02e O.JOl?e 5.94e 0.91694 Rot.-vibr. sp.fgh (1)(4)
Rotation sp. h (5) (7) (11)
Mol. beam el. reson. i (9)
Mol. beam magn. reson. ( 3)

2tt:F 1 gc
aFrom D 1HF) • iµe!(v=O,J=l) = 1.81881 D; also nuclear quadrupole and other
~rom photoelectron spectra (6)(8)(14). Photoionization hyperfine coupling constants.
studies yield 16.0J eV (10).
0
Large electronic isotope shift. (1) Talley, Kaylor, Nielsen, PR 'Il., 529 (1950).
d/3e = + O. 0464 x lo-4 • (2) See ref. {3) of 1HF.
eBased on the 1-0 and 2-0 rotation-vibration bands (4); (3) Nelson, Leavitt, Baker, Ramsey, PR 122, 856 (1961).
Oe = + O. 0027 5' foe = - 0.12 x 10-4. Using the older measure- (4) Spanbauer, Rao, Jones, JMS 16, 100 (1965).
ments of (1) for v=0,1,2 and their own measurements of the (5) See ref. (11) of 1HF.
B- X system at high v" (2) obtain a (6) See ref. (18) of 1HF.
G(v) = JOOl.OOa(v+i) - 4?.969(v+i) 2 + o.58504(v+t) 3 (7) Perkins, SA A 24, 285 (1968).
- o.028102(v+t) 4 + 9.9959x lo- 4 Cv+i) 5 (8) Brundle, CPL z,
317 (1970).
- 2.0290 x lo-.5(v+l) 6 (v ~ 24 )a (9) See ref. (20) of 1HF.
2
Bv ll.OOJ75 - O.JOJ62(v+i) + O.OOJ8495(v+t) - l.7593x (10) See ref. (2J) of 1HF.
lo-4(v+j-)3 + 9.168 7 x lo-6(v+-f)4 - J.lo4 4 x lo-7(v+j-)5; (11) De Lucia, Helminger, Gordy, PR A J, 1849 (1971).
also higher terms in the expression for Dv• (11) obtain (12) See ref. (24) of 1HF.
from the submillimeter microwave spectrum B0 = l0.86034 6 • (lJ) See ref. (22) of 1HF.
£Laser emission in the 4-J, J-2, 2-1, 1-0 bands in trans- (14) See ref. (32) of 1HF.
verse discharges through D2 +SF 6 ( 12); in a chemical laser {15) See ref. (3J) of 1HF.
source the emission extends to v=l2 and Av=6 (17). (16) Bonczyk, PR A 11, 1522 {197.5).
gThe radiative lifetime of v=l is 0.032 si see (15)(16). (17) See ref. (40) ~ 1HF.
~id- and far-infrared spectra in rare-gas matrices (13).
1HF (continued) 1 (17) Lempka, Passmore, Price, PRS A~' 5J (1968).
PLine strengths, collision-broadened widths, dipole moment (18) Lempka, Price, JCP 48, 1875 (1968).
function (28)(29)(J5)(J6)(40)(45). The radiative lifetime (19) Webb, Rao, JMS 28, 121 (1968).
of v=l [P(4) line] is 6.16 ms (JJ). (40) give a vibrational (20) Muenter, Klemperer, JCP jg, 603J (1970).
dipole moment matrix for v £: 9 based on intensity measure- (21) Berkowitz, CPL 11, 21 (1971).
ments in chemical laser emission. (22) Mason, Von Holle, Robinson, JCP ~' J491 (1971).
qRotation and rotation-vibration spectra in rare-gas (2J) Berkowitz, Chupka, Guyon, Holloway, Spohr, JCP .2!±.,
matrices (22). 5165 (1971).
rLaser emission in the pure rotation spectrum (lJ). (24) Goldhar, Osgood, Javan, APL 18, 167 (1971).
sµet(v=O,J=l) = 1.82618 D (20)(26)s gJ = 0.7410, quadrupole (25) Di Lonardo, Douglas, JCP .i§., 5185 (1972).
moment 0 = 2.36 x lo- 26 esu cm 2 (31); also nuclear spin - (26) Muenter, JCP .i§., 5409 (1972).
rotation and other hyperfine structure constants. (27) Bondybey, Pearson, Schaefer, JCP 21, 112J (1972).
tNuclear reorientation spectrum. (28) Meredith, JQSRT 12, 485 (1972); Meredith, Smith,
JQSRT 1J, 89 (197J).
(1) Naud~, Verleger, PPS A .QJ, 470 (1950). (29) Spellicy, Meredith, Smith, JCP jz, 5il9 (1972).
(2) Safary, AP(Paris) 2, 20J (1954). (JO) Di Lonardo, Douglas, CJP 2.J:, 4J4 (1973).
(J) Johns, Barrow, PRS A £21, 504 (1959). (Jl) de Leeuw, Dymanus, JMS 48, 427 (197J).
(4) Fallon, Vanderslice, Mason, JCP jg, 698; 1J., 944 (1960). (J2) Walker, Dehmer, Berkowitz, JCP 22,.4292 (197J).
(5) Baker, Nelson, Leavitt, Ramsey, PR 121, 807 (1961). (33) Hinchen, JOSA 64, 1162 (1974).
(6) Mann, Thrush, Lide, Ball, Acquista, JCP ~' 420 (1961). (34) Krauss, Neumann, MP Z:J..., 917 (1974).
(7) Herget, Deeds, Gailar, Lovell, Nielsen, JOSA jg, lllJ (35) Lie, JCP 60, 2991 (1974).
(8) Weiss, PR .!J1, 659 (196J). (1962). (36) Rimpel, ZN _g_2_ a, 588 (1974).
(9) Rothschild, JOSA ~' 20 (1964). (37) Meyer, Rasmus, JCP £1, 2356 (1975).
(10) Fishburne, Rao, JMS 12,, 290 (1966). (JS) Banna, Shirley, JCP £1, 4759 (1975).
(11) Revich, Stankevich, DANS lZQ, 1J76 (1966)1 engl. (39) Shaw, Thomas, PR A 11, 1491 (1975).
transl. DPC lZQ, 699 (1966). (40) Sileo, Cool, JCP £2, 117 (1976).
(12) Deutsch, APL 10, 2J4 (1967). (41) Guyon, Spohr, Chupka, Berkowitz, JCP £2, 1650 (1976).
(lJ) Deutsch, APL 11, 18 (1967). (42) Dunning, JCP .£2, 3854 (1976).
(14) Frost, McDowell, Vroom, JCP 46, 4255 (1967). (43) Ogilvie, Koo, JMS 61, J32 (1976).
(15) Kompa, Pimentel, JCP !fl, 857 (1967). (44) Salama, Hasted, JP B 2, L333 (1976).
(16) Mason, Nielsen, JOSA 21, 1464 (1967). (45) Yardley, Balint-Kurti, MP J.1, 921 (1976).

307
 308
State Te w we x e Be tre De re Observed Transitions References
e
(lo- 4cm- 1 ) (i) Design.
1 voo

3H'9F µ = 2.60284139 D00 = 5.968 eVa JAN 1977

b z b
x ll:+ 0 2508.54 )2.54
I 7.692 0.176C
l [2.6]
l 0.9176 Rotation-vibration b. (1)

1 H19F+ 0
D0 = 3.423 eVa I.P.; see b . JAN 1977
Highly excited states of HF+ with configuration 16' 26 2 36 2 l'IT4 c 678.2 eV (5)
c
and 162 26' 36'2 l'rr4. 2).6 eV (5)
A 21:+ 25449.82d 1496.07 z 88.42
3J,
° 11.753/g l.026lh [28.89Ji 1.2242 A~X, R 24648.9lj (4)
x 2n.
J.
Ok 3090.48 z 88.996 17.577 mn
1
0.8863° [22.0 JP
5
1.0011

2H'9F+ JAN 1977

A 21:+ 25490 55 (A- X)
x 2n.J. oc 45.8

1 H19F- JAN 1977

A 2n [2860] Progression of four resonances (due to inverse preioni- (2)
zation) in the electron transmission current. The 2n state
is derived from its "grandparent" X 2ni of HF+ by the ad-
dition of a pair of 3so Rydberg electrons.
Ab initio calculations (1) predict this state to be entirely repulsive.
1

3HF 1 g(
aFrom D 1HF) • c~e
o. = + 0.0019.
bFrom the 1-0 and 2-0 rotation-vibration bands
using calculated value,s of w8 y e and weze ( 1). (1) Jones, Goldblatt, JMS !, 4J (1957).
lHF+1 aAverage of two values, 27650 and 27562 cm- 1 , the 1HF+ (continued)&
former from Dg(HF) + I.P. (H) - I.P. (HF), the latter tOnly v=0,1,2 have been observed with high accuracy in the
from the predissociation in A 2 r+ (see g).
moptical spectrum, V=J ••• 11 in the photoelectron sp.(6).
bseveral excited states of HF++ were observed in the
For A-type doubling constants (p ~ o.60) see (4).
Auger electron spectrum of HF (5). Tentatively the nAb initio calculations (1)(2)(J) give molecular constants
2 2 1 1 '
••• 5 rr 6 and Estates may be identified at JJ.9
in agreement with the experimental results quoted here.
and ?5·9 eV above X n 2 (v=O) of HF+; the Jr state
remains undetected.
312
0
oe = + 0.0142; see !
PD = 21.4lx lo- 4 , D
1 2 21.2 4 x 10-4.
cFrom X-ray photoelectron spectra; satellite ("shake-
( 1) Julienne, Krauss, Wahl, CPL 11, 16 (1971).
up") peaks corresponding to 25 - 35 eV higher exci-
( 2) See ref. (27) of 1HF.
tation energies than the main 16 peak were observed
by (7) and attributed to simultaneous removal of a (3) Raftery, Richards, JP B j, 425 (1972).
F ls electron and excitation of a Jo or l~ electron (4) Gewurtz, Lew, Flainek, CJP 21, 1097 (1975).
into a higher orbital. (5) See ref. (J9) of 1HF.
d
Includes the Y 00 corrections.
in the upper and lower (6) See ref. (41) of 1HF.
states; Y 00 - Y 00 = 2. 93 cm- 1 • ( 7) Martin, Mills, Shirley, JCP 64, 3690 (1976).
e
weye = - 7.328. aFrom ng(DF) + I.P. (D) - I.P. (DF); from n 0°(HF+) one obtains
fSpin splitting constants (v=O ••• J) = 0.533 , 0.540 0 ,
0 9 J.473 eV.
0.566 , o.644. b
From the photoelectron spectrum of DF (1)(2)(3). The
5
gBreaking off of rotational levels at N=J for v=J and
cop~ical spec~~um of D~+ has not yet been analysed.
N=lO for v=2 because of predissociation by rotation.
A - - 266 cm , from incompletely resolved photoelectron
The predissociation limit is 27966 ± 50 cm- 1 above peaks ( J).
J=i,+vcO ~f 2n and corresponds to dissociation in-
312
hto H +F( P1; 2 ); see, however, the discussion in (4). (1) See ref. (21) of 1HF.
. fe = - 0.0933; from v=0,1,2 only. BJ= 6.741. (2) See ref. (32) of 1HF •
iD 1 Jl. 6.5 x lo-4 , n2 = 39. 3 x lo-4, (J) See ref. (41) of 1HF •
.Ho -J. 2 x lo-7, H1 = -11. J x lo-7, H2 = -34 x lo-7. 1HF-1 aEnergy relative to HF, x 1 r+(v=O).
JRefers to the zero-point of the Hill-Van Vleck
formula in the lower state. (1) See ref. (27) of 1HF.
k
A(v) = - 292.85 + 0.58(v+!); see t (2) Spence, Noguchi, JCP .2], 50.5 (1975).

309
 310
State Te w
e w x
e e B
e ae De re Observed Transitions References
(lo-7cm- 1 ) (.i) Design.
l voo

oso> Hf c19>B r (µ = 54.8590526) JAN 1975

Three sequences of R shaded bands in emission at 15860, 16110 (0-0), and (16J45) cm-1 • (1)

(ISOlHf 1211 (µ = 74.420556) I JAN 1975

Complex groups of emission bands in the regions 19700 - 20300 and 20450 - 20750 cm-1 • (1)
Long 0-0 sequence of R shaded bands in emission. R 14559.7 H (2)

1s0Hf 160 µ = 14.68923287 n0O= 8 .19 eV a I.P. = 7.5 5 eVb JAN 1975 A
J [o.3719]cd . [1.7567] J-t-x3, c R 22655.82 z (l)* (J)(6)
H [o.3699]cd [1.7614] H-+x2, c R 21239.87 z (l)* ( 6)
c x1 +19719.J 852·5 HQ 4.1 [o.3696]c [3.0] [1.7621] C-+ x1, c R 19682.94 z (l)* (6)
X3 (945)e (5) [o.3788]c [2.6] [1.7406]
x2 (O.J78l]c [2.6] [1.7422]
xl xl 925. 0 HQ 3.5 [o.3776]c [2.8] [1.7433]
G lE(+) 30090.0 [852.29] z (3.71) 0.370106 0.002071 [2.764]f 1.760904 G+-+X,g R 30032.71 z (l)* (J)(6)
F li:(+) 27413.59 849.40 z 3.67 0.36563 0.00188 2.702h 1.77165 F~X,g R 27351.14 z (l)* (3)(6)*
E ln 25230.94 866.93 zi J.68 0.36928~ J., 0.00198 2.69 i.7636 E+-+X,g R 25177.25iz (l)* (3) (6)
0.36868 0.00197 2.67 (7)
D ln 23554.41 872.60 zi 3.Jl 0.36912~ J, 0.00182 2.624m
1.7642 D~X,g R 23503.65iz (l)~ (3)(6)*
o.36837J 0.001800 2.631n (7)
B lno 17562.22 907.01 zi J.)8 o.37806ojk 0.001852 2.63 1.7429 B._....X,g R 17528.65iZ (l)* (J)(4)
0.377537 0.001848 2.618P (6)(7)
A lE(+)o 16616.92 914.24 z 3.38 0.377985 0.001827 2.587q 1.742454 A~X,g R 16586.96 z (l)* (3)(6)
(7)
x lE(+) 0 974.09 z 3.228 0.386537 0.001724 2.438r 1.723071
s
HfBra (1) Savithry, Rao, Rao, Physica §1.., 400 (19?J). HfO (continued) a

Hf!a (1) Savithry, Rao, Rao, CS 40, 516 (1971). (1) Gatterer, Junkes, Salpeter, Rosen, METOX.
(2) Savithry, Rao, Rao, CS 42, 533 (1973). (2) Panish, Reif, JCP J.§., 253 (1963).
(3) Waltner, McLeod, JPC .£2, )488 (1965).
HfOs aThermochemical value (mass-spectrom.)(9). See also (2). (4) Edvinsson, Naturw. jJ, 177 (1966).
bElectron_impact appearance potential (8). (5) Edvinsson, Dissertation (Stockholm, 1971). USIP
cP, Q, and R branches. No .A-type doubling observed. Report 71-09.
The three systems are probably subsystems of a tri- (6) Edvinsson, Nylen, PS J, 261 (1971).
plet - triplet transition, possibly 3~ - 38 [see (5)]. (7) Wentink, Spindler, JQSRT 12, 1569 (1972).
dv=O perturbed by state of smaller B value. (8) Rauh, Ackermann, JCP 60, 1396 (1974).
9
From the fluorescence spectrum of HfO in a Ne matrix (3). (9) Ackermann, Rauh, JCP 60, 2266 (1974).
:f
n1 = 3.73 x 10 -7 , perturbed.
gAbsorption spectra of HfO in solid inert gas matrices;
see ( 3).
hri = + 0.023 x 10-7 •
. e
1
These band origins do not conform to the usual conven-
tion adopted in these tables. SubtractB; in order to
obtain zero lines.
jf levels.
ke levels.
LPerturbations between D and E.
mfie = + 0.032 x lo-7.
nn'"e=+O.Ol9xl0. -7
0
Possibly 3n 0+ and 3n 1 ; see (5).
Pf3e + 0.009 x 10-7.
~e = + 0.016 x io-7.
r/!Je = + 0.006x10-7.
SIR spectrum of HfO trapped in Ne matrix (J).

311
 312
State Te w we x e Be «e De re Observed Transitions References
e
(lo- 8cm- 1 ) (i) Design. 1 v 00

c200,202> Hg 1 (µ = 100.482247) 0.06 <. D 00< 0.09 1 eVa 9.39 < I.P. < 9.61 evb JAN 1975 A
5
Numerous bands and continua in absorption and emission from 19000 to
71000 cm- 1 • Literature before 1938 reviewed in (6); details concer- (6)
ning the 2540 R (39353 cm- 1 ) band in (7).c - See also HgO. (7)
Large number of additional emission features reported by (8) whose
tentative vibrational assignments in the regions 21000 - 22800 and
18800 - 20100 cm- 1 suggest w~ = 122, w~x~=0.61 w~=l45, w~x~ = 0.5, 22152 (8)

land
w~ = 121, w~ = 141, w~x~ = 0.5, 19615 (8)

x 0 (36)
l 1 (3.3)
(2)(3)(4)
(10)

c200,101)Hg
2
+ 2. 0.91 < ng <. 1.11 eVa JAN 1975
Group of bands near 40300 cm- 1 • (1)(2)

c201> Hg 40Ar (µ = 33.3614163) JAN 1975 A

Molecular features associated with the Hg resonance line at 2537 ~ (39412 cm- 1 ), observed in
emission and absorption by (1)(2)(3)(4)(10). See also the discussions by (7)(8)(9). Calcula-
ted constants for the ground state in (5)(6)(7).

201 Hg 'H)Ar + D00 = (0.20) eV JAN 1975

A ( J a = ~) .!. 35444. 5a 104.5 H 1.5 o.05789b 0.00076 6.95C 2.9544 A-+X, RV 35447.2 H (l)* (2) (3)
2

x 22::+ 0 99.0 H 1.5 [0.06142] [9.7g] [2.8683]

I
c201> Hg s1Br {µ = 57.771192) 0
DO = 0.71 eV JAN 1975 A
E (40720) (166) (1.1) E-+X, a (40710) ( 7)
D ( 2n
3/2)
J8574.4 22s.5b H 0.950 l I I D+-+ X, v J8595.5 H (1)(5)*(13)*
Hg2 1 aThermochemical value (1) (2) (4)' disregarding correc- HgAr1 (1) Oldenberg, ZP !±1, 184 (1928); _22, 1 (1929).
tions for rotation suggested by (9) which in our view (2) Kuhn, Oldenberg, PR 41, 72 (1932).
do not apply. (3) Kuhn, PRS A .12§., 212 (1937).
bFrom (.5). (4) Preston, PR j1, 298 (1937).
cFor radiative lifetimes of the upper states of the (5) Heller, JCP 2, 154 (1941).
1 1
3350 R (29840 cm- ) and 4850 R (20610 cm- ) emissions (6) Legowski, BAPS(MAP) §, 127 (1958).
see (11) (12) (13). (7) Michels, De Kluiver, Ten Seldam, Physica ~' 1321
(1) Koernicke, ZP JJ, 219 (192.5). (1959).
(2) Kuhn, Freudenberg, ZP .zQ, 38 (1932). (8) Fiutak, Frackowiak, BAPS(MAP) 11, 175 (1963).
(J) Ekstein, Magat, CR 12..2, 264 (1934). (9) Behmenburg, ZN ?::1_ a, 31 (1972).
(4) Kuhn, PRS A .12§_, 2JO (1937). (10) Kielkopf, Miller, JCP 61, 3304 (1974).
(5) Arnot, M'Ewen, PRS A 1.2...2,, 133 (1938).
HgAr+1 aThe observed isotope shifts closely parallel those of
(6) Finkelnburg, "Kontinuierliche Spektren", Springer
the corresponding transition in Hg+, i.e. 5d96s 2 2 n
(Berlin, 19J8).
5d 10 6s 2 s •
512 ~

(7) Mrozowski, PR .zQ, 1714 (1949). 112

bLarge fi-type doubling, fiv fe = +pv( J+-!) - ••• where Pv =
(8) Takeyama, JSHU A~' 235 (1952).
+5.30Bv. Theory (3) predicts p~ +6B.
(9) Winans, Heitz, ZP ill, 291 (1952); lJ.2, 406 (1953).
re= +O. 23 x 10 -8 •
cP.
(10) Epstein, Powers, JPC j]_, JJ6 (1953).
(11) Ladd, Freeman, McEwan, Claridge, Phillips, JCS FT (1) Santara)'ll, Winans, CJP 44, 1517 (1966).
II £2., 849 (197J). (2) Bridge, CC (1970), p. 358; JMS 42, 370 (1972).
(12) Phaneuf, Skonieczny, Krause, PR A~' 2980 (1973). (3) Hougen, JMS 42, 381 (1972).
(13) Skonieczny, Krause, PR A 2, 1612 (1974).
HgBr1 ~eadless diffuse bands.
Hg 2 +1 aFrom (I.P.)Hg and (I.P. -n 0°)Hg [see ref. (5) of Hg 2 ]. bConstants for 202ttg 81 Br.
2 (continued p. 315)
(1) Winans, PR 42, 800 (1932).
(2) See ref. (7) of Hg 2 •

313
 314
State Te w
e w x
e e Be «e D
e re Observed Transitions References
(i) Design. l voo
(2.02)H SIB
g r (continued)
2 34722. 0 278.6° H 1.82 C~X, v 34767. ° H (1)(2)(6)(8)
c ( n1;2) 5 (12)*(1J)*
B 2E+ 23485.0 135.075 H 0.275 B-+X, R 23459.5 H (3) (9) (11)*
x 2E+ 0 186.47 H o.9665d (11)

c202) HCJ 3sc l (µ = 29.8079550) D00 = i.o 4 eV JAN 1975 A

D ( 2n ) 39703.5 341.8 HQ 1.87 D+-+X, v 39727.7 HQ (1)(3)* (9)*
312 (13)*
2 (35782) (383)a C+-+X, (V) 35828 (1)(2)(3)*
c ( Ill/2) (6)* (7) (8)
<lo x12>< 13) *
B 2r;+ 2)421.0 192.0b H o.5ob B-T X, Ry 23371.0 H (1)(2)(4)*
(7)* (11)
x 2r;+ 0 292.61 H l.6025C [(2.23)]d

(101>Hg'HCs (µ = 80.157999) De = 0.050 eVa JAN 1975 A

Diffuse V shaded absorption bands at 18710, 19140, 19560, 20270, 20750 cm -1 • Bands showing
fine structure at 20030, 20060, 20090 cm- 1 • Tentatively attributed to HgCs. (1)
a
x 2E+ 0 5.09 (5)

c2oi) Hg 19 F (µ = 17.3649660) 0
DO = (1.8) eV JAN 1975
E 46770.6 587.\6 H 10.l E-1> X, a R 46818.4 H (2)*
2 42999.6 469.4b HQ l0.05b D-toX, v 42987.4 HQ (l)*
D ( 2ll3/2)
c ( ll1;2> (39044) (506) H c~x, v 39053 H (l)*
x 2r;+ 0 490.8° HQ 4.05
HgBr (continued)1 lgC! (continued) 1

cFrom (12)(1J). Earlier analyses of C-X by {4)(5) and (5) Maxwell, Mosley, PR ..22, 21 (1940).
(10) as well as the suggested existence of an additi- (6) Sastry, PNISI 2, 351 ( 1941).
onal system in the region 36100 - 37000 cm- 1 (10)(12) (7) Wieland,, HPA 14, 420 (1941).
are not convincing. (8) See ref. (6) of HgBr.
d
weye = - 0.0090. (9) Wieland, HCA 26, 1939 (1943).
(10) See ref. (8) of HgBr.
(1) Wieland, HPA _g, 46, 77 (1929).
(11) See ref. (9) of HgBr.
(2) Wieland, ZP J.1.., 157 (1932).
(12) Krishnamurthy, ZP 12.Q, 287 (1958).
(J) Wieland, HPA 12, 295 (1939).
(4) Sastry, CS 10, 197 (1941). (13) Horne, Gosavi, Strausz, JCP 48, 4758 (1968).
(5) Sastry, PNISI 2, 359 (1941). HgCss aFrom Cs-Hg scattering data (5); see also (2)())(4).
(6) Howell, PRS A 182, 95 (1943).
(7) Rao, Rao, IJP 18, 281 (1944). (1) Barratt, TFS .f.j, 758 (1929).
(8) Wieland, JCPPB ±2,, 3 (1948). (2) Morse, Bernstein, Hostettler, JCP .12,, 1947
(9) Wieland, in "Contribution a l'Etude de la Structure (1962).
Moleculaire", Vol. comm. Victor Henri, Ed. Desoer, (3) Morse, Bernstein, JCP JZ, 2019 (1962).
Liege (1948), p. 229. (4) Neumann, Pauly, JCP j_g, 2548 (1970).
(10) Krishnamurthy, ZP 1...5,g, 242 (1958). (5) Buck, Kick, Pauly, JCP 2§., .3391 (1972).
(11) Wieland, ZE 64, 761 (1960). HgF1 aClose double heads.
(12) Patel, Darji, IJP 42, 110 (1968). bAbove v=41 we 410, we x e 1.5.
(13) Greig, Gunning, Strausz, JCP j_g, 3684 (1970). cFrom D- X.
HgC!1 aFrom the absorption spectrum (13). (1) See ref. (6) of HgBr.
bFor v ~ 30s w = 186.2, w x = o.40. (2) Babu, Rao, Reddy, IJPAP ~' 467 (1966).
c e e e
weye = - 0.01493, weze = - 0.000033. All constants refer
to R heads of B-X. From Q heads of D-X we= 293.4,
w x = 1.82.
d e e
From electron diffraction data (5); according to (7)
more likely corresponding to the Hg-CL separation in
HgC1 2 than in HgCL.
(1) See ref. (1) of HgBr.
(2) See ref. (2) of HgBr.
(3) Cornell, PR~' 341 (1938).
(4) Wieland, ZPC B 42, 422 (1939).
315
 315
State w w x
e e Observed Transitions References
l
e
Design. v 00

(202) Hg I H (µ = 1. 00282118) D00 = 0.3744 JAN 1976 A

D 2:E+ Fragments only. [( 4. 7 )] I [(l.89)] n-.x, R (37040) (2)(8)
c ~:E+ [4.519]b [1.9287] C-+X, R 35587.4 Z ( 2) ( 8) ( 12)
B 2r;+ [4.028]d [2.0429] B-H/ R 33876.47 Z (1)(2)(8)
(12)
A ~x,;,
28274 2068.24g z 6.7411gi [2.818]gk
I
1.5791 2 v 28616.23mz (2)(4)(5)(6)
(8)
n [6.5609]gop q A 1 ~X,1. YR 24933.lomz
[2.850]gl [1.6007] (2) (4) (5)*
(6)(7)(8)
(9)* (15)
0 [1203.24]g z s [5.3888]gptu v ESR sp.x Potential curve (14)(15).
[3.953JJ_ [1.76620]

<101)H9 2H (µ = 1.99421540) ng = o. 3976 eVa JAN 1976

A 2 nr [3.3342]bc [o.724]b [1.5923] A-+X,d V (1)(2)(3)(6)
( 7)
e i
x 2:E+ 0 [896.12] z [2.7385Jcfgh [o.91]fj [1.7569] ESR sp.k

c201)Hg3H (µ = 2.97167340) °
n0 = 0.4086 eVa JAN 1976
2 i,
Al nl/2 [1150.8] H I A1 -#-X, V 24776.1 H (3)
x 2L:+ 0 [748.72] z m [1.8464]1.no p
[o.4111JJ_ [1.7528]

Hg 1H1 8From the predissociation in X 2 L:+ of the hydride and Hg1H (continued)1
deuteride (15). See also Fig. 189 of MOLSPEC, Vol. 1.
fQ branches weak in 0-0, strong in 0-1 and 0-2, not
bSpin doubling tw 12 = + [2. 71 - O. 0093 x N(N+l) ](N+t),
observed in 0-3.
increasing rapidly above N=l7. See also (13).
c H = + 3. 4 2 x 10 -6 •
gThese are effective constants; "true" vibronic ener-
0 gies and rotational constants calculated by (12).
dSpin doubling t.w 12 = + [1.11 - 0.00374xN(N+l)](N+t),
~ - 0. 052 0 ( v+t) 4 [ v = 0, ••• , 6 J.
increasing very rapidly above N=l9. See also (13). 1
e H = + 2.0 4 x 10 -6 • Perturbations.
0
(continued) 1 Hg 1H (continued):
j + 0.008J (v+~) 2 - 0.001J 0 (v+~)J [v= o, ••• , 6]. (7) Porter, Davis, JOSA 2.J., JJ8 (1963).
9
kD , ••• ,DJ ( 10 -4 cm -1) = 2.880, 2.867, J.182; (8) Phillips, Davis, BAMS Vol.~ (1968).
1 (9) Eakin, Davis, JMS J.2, 27 (1970).
H , ••• , HJ ( 10 -8 cm -1) = + 0.09, + 0.07, - 5.4, + 2.46.
0 (10) Veseth, JP B ], 1677 (1970).
LHg "nuclear" isotope shifts; see (6).
mConstants in (8) are slightly different since they refer (11) Knight, Weltner, JCP 2...2, 2061 (1971).
to J'=l/2 or J/2 instead of ~J'=O~ relative to N"=O (12) Veseth, JMS 44, 251 (1972).
nt;G(J/2, 5/2) = 1809.66, 1509:1J. • • (13) Veseth, JP B Q, 1484 (1973).
0
A-type doubling l.lvfe(v=O) = + J.J60(J+t) - ••• (8); de- (14) Kosman, Hinze, JMS 2£, 93 (1975).
creasing with increasing v, but very anomalous in v=J. (15) Stwalley, JCP Q], J062 (1975).
See also (lJ). Hg 2H' Hg3tt I
PMagnetic hyperfine structure in X 2I:+ and A1 2 rr 1/2 of
199HglH and 201HglH, se~ (7)(9). aSee a of Hg 1H.
b"True" constants of (6) who gives · doublet splitting
qB 1 = 6.J2J9, B2 = 6.0271 (perturbation by v=O of A2 ),
and.A-type doubling parameters. The heads of the
BJ= 5.104 (very anomalous, seer).
rD l' • •• , DJ ( 10 -4 cm -1) = 2.952, J.462, -18.42; 0-0 subbands are at 24810.6 and 28493.6 cm- 1 •
H , ••• ,HJ ( 10 -8 cm -1) = +0.082, -1.21, -18.4, -Jl. cMagnetic hfs in X 2I:+(b=0.2010 in v=l) and A 2 n
0 dHg isotope effects (1). I of l99Hg 2H; see (~{:
sl.IG(J/2, ••• , 7/2) = 965.J4, 6J2.5J, 167.82. G(O) = 681.2 (15).
tSpin doubling t>v 12 (v=O) = + 2.14 4 (N+t) - ••• ; decreasing el.IG(3/2 ••• ll/2) = 790.48, 660.35, 497.80, 264.92,
rapidly with increasing v (4)(9). 58.35. G(O) = 488.8 (7).
fEffective constants; "true" values for v=O in (6).
uPredissociation by rotation. Lines with N" > 29, 22, 15
gSpin doubling t>v 12 (v=O) = +1.085(N+~) ~ ••• ;
in v"=O, 1, 2, resp., are broad. Lines with N" > JO, 24,
decreasing rapidly with increasing v.
18, 8' 6 in v"=O, ••• , 4, resp., are absent (J)(5)* (9).
v hPredissociation by rotation. Highest observed levels
Bl' • • •' B4 = 4.9512, 4.J47J, J.2510, 1.451.
w 1 . in v=O ••• 6 are N=43, 35, 31, 23; 15, 10, 8 (3) (7).
Dl' ••• , n4 (10-4cm- ) = 5 .o 16 ' 8 .o 8 ' JJ.87, 40.7; 1 . .
8 1 .Bl. •• 6 = 2.5954, 2.422 5 , 2.1961'1.845, 1.1729, 0.7325"
HO' • • •' H3 (10- cm- ) = -o.o' 6 - 4 .99, -21.4, -1490; high-
JD 1 6(lo-4 cm- 1 ) = 1.14, 1.41, 2.02, 1.7, 16.27, (5. 8 ).
xin solid Ar matrix at 4 K (11). I er order constants in (8). ••• 8
kH 0 ••• 5 <10- cm- 1 ) ~ -0.9, -o.6 1 , -i. , -s. 0 , -110, -JOO.
(1) Hulthen, ZP ..2Q, Jl9 (1928). 7
In solid argon at 4 K (5).
(2) Rydberg, ZP 1J., 74 (1932). !Magnetic hfs in X 2I:+ and A 2 n of l99Hg3H (3)
(J) Rydberg, ZP 80, 514 (19JJ). m 1 1/2 •
l.IG(3/2 ••• ll/2) = 680.J4, 601.75, 509, 390, 240.
(4) Fujioka, Tanaka, Sci. Pap. IPCR (Tokyo) J.!±, 713 (1938). G( 0) = 402. 6 ( 7).
(5) Porter, JOSA .if., 1201 (1962). (continued p. 319)
(6) Porter, Davis, JOSA .if., 1206 (1962).
317
 318
State Te w
e w x
e e Be .ae De re Observed Transitions References
(lo- 4 cm- 1 ) (i) Design. l voo

(2.02>H9 'H+ D00 = (2.9 ) eV FEB 1975

9
A lz.:+ 44316.6 1623.6a z b 5.867a o.201c 3.1d A-+ X, 44112.6 z (l)* (4)(5)
45.11 1.6927 R
x lz.:+ 0 2027.7a z 40.9 6.613 0.206
I I 2.85 1.5944

c202>Hg'-H+ 0
DO = (J.01) eV FEB 1975
A lz.:+ 44306.J 1151.2a z 22.4/ 2.953 o.074f o.77g 1.6919 A~X, R 44161.9 z (2)(3)(4)(5)
x lz.:+

c202>
0

Hg i,.He
1438.5a z 20.7
J 3.J28 0.0736
I 0.72
l 1.5933

(µ = 3.92482213) FEB 1975

See ref. (1)(4)(5) of HgAr.

<202> Hg 1211 (µ = 77.9352924) D00 = 0.35 4 eV a FEB 1975 A

H 47110 97.1 H 1.7 Predissociation above v=2. H-+X, R 47096 H (2)(8)*
G 45542 88.4 H 0.2 G-t> X, R 45524 H (2)(8)*
F3 (44531) (85.5) H (0.8) I I F -+X,
3
R (44510) H (7)(9)
F2 Unclassified bands in the region 40800 - 42200 cm- 1 , converging near F 2 -t>X, R (7) (13)*
40800 cm- 1 •
Fl 40152 90.8 H 0.93 I I I F1 -+X, R 40135 H (7)(9)
E Bands in the region 37500 - 39500 cm -1 ; tentative analyses (4)(14). E-t>X, R (J) (4) ( 14)
2 36269 178.0 H 1.14 D-+X, v 36295 H (3)(5)(6)
D ( 2Il3/2)
c ( n1;2> 32730.0 235.6 H 2.21 C+-+X, v 32785. 0 H (1)(3)(5)(6)
(10)(12)(16)
B 2z.:+ 24187.1 110.45 H 0.15 B~X, R 24180.0 H ( 11) ( 15) *
x 2z:::+ 0 125.0 H l.Ob
Hg 2H, HgJH (continued) s Hgis aExtrapolation for X 2 r+ (15). Good agreement with an
nSpin doubling liv 12 (v=0) = +0.744(N+!) - ••• ; earlier thermochemical value (12).
decreasing with increasing v. bAbove V=71 we x e ~ 1.5.
0
Predissociation by rotation. The last observed levels (1) See ref. (1) of HgBr.
in v=0,1,2 are N=51, 44, J9. (2) Prileshajewa, PZS 1, 189 (19J2).
PB 1 , B2' BJ= 1.7691, 1.6806, 1.5757. (3) Wieland, ZP :z.2., 801 (19J2).
qD ,n 2 , D (10- 4 cm- 1 ) = o.4795, 0.5586, 0.7957; (4) Sastry, PNISI ~' 289 (1942).
1 3
H ••• H ( 10 -8 cm -1) = -0.272, +0.057, -0.247, +1.66. (5) See ref. (6) of HgBr.
0 3
(1) Mrozowski, ZP ..2,2, 2J6 (l.9J6). (6) Rao, Sastry, Krishnamurti, IJP 18, 323 (1944).
(2) See ref. (4) of Hg1H. (7) Rao, Rao, IJP 20, 148 (1946).
(3) See ref. (9) of Hg 1H. (8) Ramasastry, Rao, IJP 21, 14J (1947).
(4) See ref. (10) of Hg 1H. (9) Ramasastry, IJP 22, 95 (1948).
(5) See ref. (11) of Hg 1H. (10) See ref. (8) of HgBr.
(6) See ref. (12) of Hg1H. (11) See ref. (9) of HgBr.
(7) See ref. (15) of Hg1H. (12) Wieland, Herczog, HCA~' 889 (1949).
(lJ) Ramasastry, PNISI 18, 487 (1952).
Hg1H+' Hg2tt+ I (14) Krishnamurthi, ZP 160, 4J8 (1960).
aRe-evaluated from the data of (4). (15) See ref. (11) of HgBr.
bweye= -7.2 0 , calculated from the value for Hg 2H+. (16) Greig, Gunning, Straus~, JCP·..2.£, 4569 (1970).
coe = -0.0455·
dfoe= +0.4x lo-4 •
ew y = -2.57·
f e e
re= -0.0105.
g
'foe = +O .10 x 10 -4 •
(1) Hori, ZP 61, 481 (1930).
(2) Mrozowski, APP 1, 405 (1935).
(3) Hori, Huruiti, ZP 101, 279 (19J6).
(4) Mrozowski, Szulc, APP§, 44 (1937).
(5) Mrozowski, PR ,2!'!, 332 (1940).

319
 320
State w w x Observed Transitions References
e e e
Design. I v 00

(.202) H9Cll 5> In (µ = 7J.2J785J) FEB 1975

Two diffuse emission bands extending to longer wavelengths from the
In lines at 4511 ~ (22160 cm- 1 ) and 4102 ~ (24J7J cm- 1 ). (1)
Fragments of a weak system of V shaded emission bands at 20020 cm- 1 • (1)
B
A
a+ 19106
a
198
151
H
H
j I
l
B-+A, a V 191.30 H (l)* (2)*

c102) H <39> K = 0.052 a

9 (µ = 32.6625294) De eV FEB 1975 A
Diffuse, V shaded absorption bands at 16160, 16260, 24Jl0, 25070 cm- 1 ; tentatively assigned
to HgK. (1)
x 2I:+ 0
l l (5)

C2.01 >Hg cs,,.> Kr (µ = 59.2819831) FEB 1975 A

See ref. (1)(2)(5)(7)(10) of HgAr.

c202> H9c1> Lt (µ = 6.7804667) FEB 1975

x 2I:+ 0
J 1 l (2)(4)

c201) Hg BNa. (µ = 20.640JJ63) De = 0.055 eV

a
SEP 1976 A
Diffuse, V shaded absorption bands at 15J80, 15490, 21510, 22590, 22690 cm- 1 ; tentatively
assigned to HgNa (1). Theoretical calculation of the lowest excited states (4).
x 2I:+ 0 l l l 4.72 a (2)(J)

c2.02> Hg c20> Ne (µ = 18.1917011) FEB 1975

See ref. (1)(5) of HgAr.
Hginr aDouble heads. HgNa1 aFrom Na- Hg scattering data (2) (3).
(1) Purbrick, PR 81, 89 (1951). (1) See ref. (1) of HgCs.
(2) Santaram, Winans, JMS 16, J09 (1965). (2) See ref. (4) of HgCs.
(J) Buck, Pauly, JCP .2±, 1929 (1971).
HgK1 8From K-Hg scattering data (5); see also (2)(J)(4).
(4) Dllren, CPL J.2., 481 (1976).
(1) ••• (5) See ref. (l) ••• (5), resp., of HgCs.

HgLi1 aFrom Li-Hg scattering data (2)(4); see also (l)(J).

(1) Groblicki, Bernstein, JCP 42, 2295 (1965).
(2) Olson, JCP ~' 4499 (1968).
(J) See ref. (4) of HgCs.
(4) Buck, Hoppe, Huisken, Pauly, JCP 60, 4925 (1974).

321
 322
State Te w w x B «e De re Observed Transitions References
e e e e
(i) Design. voo
1
c202>Hg '60 2 (µ = 14.82116395) FEB 1975
Absorption bands in the region 33900 - 36500 cm -1 usually ascribed to Hg 2 ("wing" bands),
were tentatively assigned to HgO by (1).
' (1)

c202> Hg css> Rb (µ = 59.7795059) De = 0.049 eVa 1 FEB 1975 A

Diffuse, V shaded absorption bands at 15710, 15780, 20490 cm- 1 and other unclassified bands
in the region 22700 - 23800 cm- 1 ; tentatively assigned to HgRb. (1)
22:+
x 0
I 1 1
5.la (2)

c201> Hg c32> S (µ = 27.6025696) DO£ 2.17 eva

0 - FEB 1975

c20.1) Hg cso> se (µ = 57.2597614) DO~

0 - i.6 9 eVa FEB 1975

c202> Hg(2os>rt (µ = 101.730727) FEB 1975 A

Four band systems in the red (15300 cm- 1 em. and abs.), green (19200 cm- 1 ), blue (22000
'
cm- 1 , em.), and violet regions of the spectrum (26200 cm- 1 , em. and abs.). Different vi-
brational analyses in (1) and (2), no details. (1)(2)

c201> Hg (1321 Xe (µ = 79.7926869) FEB 1975 A

See ref. (1) (5) (10) of HgAr.
HgO: (1) Walter, Barratt, PRS A 122, 201 (1929). HgTi: (1) Winans, Pearce, PR 1_±, 1262 ll94~).
(2) Winans, Santaram, Pearce, Proc. Int. Conf.
HgRb1 8From Rb-Hg scattering data (2).
Spectrosc., Bombay (1967), Vol. I, p. 149.
(1) See ref. (1) of HgCs.
(2) See ref. (4) of HgCs.

HgS, HgSe1
aThermochemical value (mass-spectrom.)(J)(4)(5).
Based on mass-spectroscopic evidence it is unlikely
that three absorption continua with long-wavelength
limits at 22500, J2200, 44400 cm- 1 , observed by (1),
and two absorption continua with long-wavelength
limits at 22200, J86JO cm- 1 , observed by (2), are
due to HgS and HgSe, resp ••
(1) Sen-Gupta, PRS A 1.'.±J., 4J8 (19J4).
(2) Mathur, IJP 11, 177 (19J7).
(J) Colin, ICB 26, 1129 (1961).
(4) Goldfinger, Jeunehomme, TFS 5..2., 2851 (196J)
(5) Marquart, Berkowitz, JCP J.2., 28J (196J).

323
 324
State w wx Observed Transitions References
e e e
Design. I v 00

IH1271 µ = 0.9998845J Di= J.054 1 eVa I.P. = lO.J8 eVb SEP 1976 A
L [100640] 1
Broad absorption peak (width ._,4500 cm- ). c L+- x, 99500 (Jl)
H (1) [ 7 54J5] First member of a Rydberg series converging to X 2nt(v=O) of HI+ H+-X, 74290 (J)* (27)*
(I.P. = 11.05eV)1 fragments of additional series.d
1 [6.JJ 5 ]e [2. 3 ]e [l.6Jl] F+-X, 70228.2 (JO)*
F ll [71372.8] R Z

fl Jill [708Jl.5] [6.01 5 Jf [1.674] flt- X, R 69686. 9 Z (JO)*

D 1 rr [70J89.0] [6.198]g [2.l]g [l.649] D+- X, R 69244.4 Z (JO)*
do Jno [70302.4] [6.117]h [2.1]h [1.660] d 0 t- x, R 69157.sh Z (JO)*
Additional unclassified absorption bands between 68100 and 69000 cm-1. (JO)
G 1 [70136.4] [6.4o6]i [J.2]i [1.622] Gt- X, (R) 68991.8 Z (J)* (JO)*
V 1 E+ J
[ 2 • 84 j J
[ 2•0 j J
[ 2 • 44 j v +- x ' R 68oo4.4j z (JO)*
E lE+ (66326) [1681.8] Z [6.110] k [2.5]k [1.661 1 ] E<E-X, R 66022.6 Z (})* (30)*
f2 382 [65838.6] [6.757JL [12.J]L [1.580] f 2 ~x, V 64694.0 Z (JO)*
fJ Jt.} [65717.5] [5.706]m [-8.J]m [l.719] fJ+-X, R 64572.9 Z (JO)*
e JI:+ [65J45] Very diffuse feature. e+- X, 64200 (JO)*
dl Jnl [65028] Diffuse feature. 6J88J HQ (JO)*
[2154.4] z [6.065] n R 6J854.9 (JO)*
d2 3n2 (6J922) [1.7] Z

c 1 rr (62J78) [218J] HQ Diffuse, no rotational structure. 62325 HQ (})(20)

0
60858.7 2Jl4.7° Z 54.3° 6.49J 0.118° 60857.9 HZQ (20)* (JO)*
(60840) Diffuse Q head only. 608}9 (20)*
(5678J) [2200] [6.427] (v=l diffuse Q head) 567 JS.} Z ( J) ( 20)

(55874) [2207.4] z 6.4}6 0.175 I 558JJ.l z (20)*

 State Te we wexe Be c<..e De re Observed Transitions References
(lo-4 cm- 1 ) (ft) Design.
l voo

'H'27I (continued)
A (ln)
a (Jno+,Jnl) } Continuous absorption starting at ~28000 with maximum at "'46000 cm- 1 • ~}<-x,P (2) (4) (5)
(17)(24)
t Rot.-vibr. sp. u
x lr;+ 0 2309.014 z 39.6435q [6.426365o]rs 0.16886 [2.069]r 1.60916 (6) (12) (23)
(26)
Rotation sp. vw ( l) ( 7) ( 8) ( 22)
Raman sp. x (29)

1 HI1 a...
· .tt-rom D 0(H ), D 0(r ), and .ti.HfO ( HI, from gaseous H2'
0 2 0 2 r 2) • kB 1 = 5. 62, n1 = 28 x lo-4 , perturbed at high J.
2
bFrom photoionization studies by (10); refers to x rr of J,Average Band D, B(2+) -B(2-) - 0.040.
312
HI+. (18) give the same value, (15) give 10.42 eV from mAverage Band D, B(3+)-B(3-) = + 0.018.
the photoelectron spectrum. nB 1 (3n 2 ) = 5.92 •
3
cDiffuse on account of predissociation and preionization; °From V=O,l,3 only; fe = - 0.0317•
presumably first member of a Rydberg series converging to Pphotofragment spectroscopy at 37550 cm- 1 (28) shows that
A 2r:+ of HI+ (31). the continuum is of composite nature; 36% of the absorption
dAbove the first ionization limit (X 2 n ) the members of is due to 3n 0+ yielding H + I( 2Pi)• (28) have analysed the
312
the series are subject to preionization and are seen as continuum in terms of three overiapping transitions 1 n,
photoionization peaks (27). 3n 0+, 3n 1 <.-- X. A very weak continuum with maximum at 23500
eAverage B and D, B(2+) - B(2-) 0.05. cm-1 was reported by (4).
fAverage B value, B(l+) - B(l-) = + 0.240. ~eye= - 0.0200, weze = + 0.01621, from the l-0, ••• ,4-0
gRefers to the l+ component; B(l-) ~ 6.25. vibr.-rot. bands (23): very slightly different constants
hconstants refer to the o+ component; for o- B0 6.091, are given by (26) who have measured the 5-0 and 6-0 bands.
. voo = 69149.5. + rMicrowave value (22) •
1
Average B and D, B(l ) - B(l-) = + 0.107. 8
Dunham potential coefficients (32).
jVibrational numbering uncertain; the numbers given refer tre = - o.o0095; from (23), see q.
to the lowest level observed in absorption for which v uThe 1-0, ••• ,6-o bands have been observed in absorption. Ab-
is probably fairly high. Several higher vibrational
levels have been found; strong perturbations. (continued on p. 327 )

325
 326
State Te w
e w x
e e Be a'e De re Observed Transitions References
(lo- 4crn- 1 ) (i) Design. l voo

2H1211 µ = 1. 98263579 0 = 3.094 eVa

D0 SEP 1976 A
9
F 16 [71069.9] I [3.161J [o.51J I
[i.64oJ I F+- X, R 70255.0 z (9)
Further unclassified absorption bands between 68100 and 69800 crn-1. (9)
f1 361 [ 70513.J] [3.089]b [o.45]b [1.659] f1 -E- x, R 69698.4 z (9)*
D ln [10065.5] [J.155]C [o.55]c [1. 642] D+- X, R 69250.6 z (9)*
do Jno [69972.1] [3.131Jd [o.47]d [1. 648] d0 +- x, R 69157 .2d z (9)*
v lr;+ [1.JO]e [2.56]e V"-- X, R 67893.6e Z (9)
E lr;+ 66163.5 1455.9 z 75.95 [J.092] f [0.60] [1. 658] E+- X, R 66057.6 z (9)*
f2 3t:.2 [65533.6] [3.296]g [1.64]g [1. 606] f
2 ~ X, 64718.7 z (9)
3 [65440.7] [3.00 2 Jg [o.22]g [1. 683] f J+- X, R 64625.8 z (9)
f3 6 3
e Jr:+ [65095] Very diffuse feature. e~ X, 64280 (9)
d1 3n1 (63958) [(1586)]h [3.135]g [o.39Jg [1.647] d1 +- x, R 63936.2 z (9)
dz 3n2 [64681.5] [3.111] [0.39] [1.653] dz~ X, R 63866.6 z (9)
c 1n 62321 1664 JO Diffuse Q heads only. C+- X, 62331 HQ (5)
3 o+
bo no o-
t61667.4] I [3.255] [1.616] bo+-X, 60852.5 z (5)*
61647] Diffuse, unresolved Q branch. 60832 H
b1 3n1 [57547.6] I [J.245]i [1.619] b1 +- x, 56732.8 z (5)*
b2 3n2 (55862) [1585.2] z J.2651 0.0632
I 1.6137 b 2 +- x, 55840.l z {5)*
A ( ln)
a (3n) } Continuous absorption starting at 33000 with maximum at 45000 cm- 1 • A}
a ~x,J. (8)
k
x lr:+ 0 1639.655 z 19.873 [3.2534872]1. o.06082k [0.5264]1 1.60909 Rot.-vibr. sp. (2)(7)
Rotation sp.m (1)(3)(4)(6)

2HI, 8Fromngc 1HI). esee j of 1HI.

bAverage B and D, B(l+) - B(l-) = + 0.064. fB 1 = 2.974 (perturbed at intermediate J), B2 = 2.80 2 •
cAverage Band D, B(l+)-B(l-) = - 0.014. gConstants refer to the n.+ component.
dThe constants refer to the o+ component; the numbering of hThe 1-0 band is quite diffuse and its assignment uncertain.
the Q branch (0- component, v 00 ~ 69147.0) is uncertain. iBroad P and R lines, diffuse and unresolved Q branch.
2ttr (continued) 1
. 1
~At 37550 cm- 26% of the absorption is due to Jrr 0+1 see P (J) Burrus, JCP 28, 427 (1958).
WeYe= -0.0459, re= -0.000176 from the IR sp. (7). Iof 1Hr. (4) Cowan, Gordy, PR 111, 209 (1958).
!Microwave value (6). (5) See ref. (20) of lHI.
mµel(v=O) = O.Jl6 D (J). Iodine hfs constants in (6). (6) See ref. (22) of 1ttr.
(7) See ref. (2J) of lHI.
(1) See ref. (7) ·of 1Hr. (8) See ref. (24} of 1HI.
(2) Jones, JMS 1, 179 (1957). (9) See ref. (JO) of lHI.
1Hr (continued)s (10) Watanabe, Nakayama, Mottl, JQSRT g, J69 (1962).
solute intensities, dipole moment function (9)(11)(14)(16) (11) Benesch, JCP J.2., 1048 (1963); 40, 422 (1964).
(25). The R branch of the fundamental is much stronger (12) Haeusler. Meyer, Barchewitz, JP(Paris) ~' 961 (1964).
than the P branch on account of rotation-vibration inter- (lJ) Chamberlain, Gebbie, Nature 208, 480 (1965).
action; for the overtones this effect is very small (11) (14) Meyer, Haeusler, Barchewitz, JP(Paris) 26, J05 (1965).
(14). The overall intensities decrease rather slowly in (15) Frost, McDowell, Vroom, JCP 46, 4255 (1967).
(i6) Jacobi, JMS 22, 76 (1967). .
the series 1-0, 2-0, J-0 (11)(14). Line width, pressure
broadening studied by (9)(14). (17) Huebert, Martin, JPC .zg_, 3046 (1968).
vFrom the hfs of the microwave spectrum (19) derive nuclear (18) .Lempka, Passmore, Price, PRS A .J.Q!±, 5J (1968).
quadrupole (I) and other hyperfine co~pling constants; see (19) Van Dijk, Dymanus, CPL g, 2J5 {1968).
also (22). From the Stark effect in the hfs of the 1-0 (20) Tilford, Ginter, Bass, JMS Ji, J27 (1970).
(21) Van Dijk, Dymanus, CPL 2, J87 (1970).
transition (21) obtain µet(v=O) = 0.4477 D.
(22) De Lucia, Helminger, Gordy, PR A J, 1849 (1971).
wAbsolute intensities (lJ}.
xVibrational Raman cross sections. (2J) Hurlock, Alexander, Rao, Dreska, JMS J2, 37J (1971).
(24) Ogilvie, TFS §:I., 2205 (1971).
(l) Czerny, ZP 44, 2J5 (1927). (25) Tipping, Forbes, JMS J.2., 65 (1971).
(2) Goodeve, Taylor, PRS A~' 181 (19J6). (26) Bernage, Niay, Houdart, CR B _g_z§,, 235 (1974).
(J) Price, PRS A 127., 216 (19JB). (27) Tsai, Baer, JCP 61, 204? (1974).
(4) z,
Datta, Kundu, PNISI Jll (1941). (28} Clear, Riley, Wilson, JCP .§J.·, 1J40 (1975).
(5) Romand, AP(Paris) (12) ~' 529 (1949). (29) Cherlow, Hyatt, Porto, JCP .2J, 3996 (1975).
(6) Boyd, Thompson, SA j, 308 (1952). (JO) Ginter, T-ilford, Bass, JMS jl, 271 ( 197 5).
(7) Palik, JCP E], 217 (1955). (Jl} Terwilliger, Smith, JCP .2J, 1008 (1975).
(8) Cowan, Gordy, PR 104, 551 (1956). (J2) Ogilvie, Koo, JMS 61, JJ2 (1976).
(9)-Ameer, Benesch, JCP J2, 2699 (1962).

327
 328
State w wx tre Observed Transitions References
e e e
Design. J v 00

SEP 1976
0 l [2.193261] l [2.J85]a l [1.6152JO] Microwave sp. b (1)(2)

b
I.P. = 19.6 eV SEP 1976
(28000)c d

(5400)c
0 [(2170)] 9 (l.62)e

SEP 1976
Resonances due to inverse preionization have been found in the electron transmission current
in the range 6.7 - 10.0 eV. They correspond to excited states of HI- in which two electrons
(1)
are i~ Rydberg orbitals ns6 2 , np6 2 , or ndA 2 while the core is in the X 2n or 2n1/ 2, state
312
of HI •

165Ho 2 = 82.465179 0
µ DO = o.8 2 eVa FEB 1975

tl>sHo '9F µ = 17.0360178 0

Do = 5°57 eVa FEB 1975
B 21240.9 502.2 H 2.9 B~X,b R 21184.2 H (2)
A 19152.77 539.45 z 4.39 0.2459lc 0.00217 [0.0173] 2.0060 A~ X, b R 19114.41 Z (2)*
x d 0 615.28 z 0.26295 0.0014.5 [0.0178]
2.603 1.9399

1f>sH 0 1£>0 µ = 14.58086.543 O

D0 = 6 .J9 eV
a
FEB 1975 A
R shaded emission bands from 21700 to 2)000 cm- 1 • (J)
Two complicated groups of R and V shaded emission bands in the (18795)
(l)* (2)*
regions 16900 - 18000 and 18500 - 19800 cm- 1 • (17881)
 State Te w
e w
ex e Be ~ De re Observed Transitions References
(10- cm- 1 ) (R) Design.
l voo
tfJs H0 (32> 5 (µ = 26.7806009) 0
DO = 4.38 eva FEB 1975

'"5H 0 cso1se (µ = 53.8322601) 0

DO = 3.4 1 eVa FEB 1975

'.3itI1 aCalculated by isotope relations from HI and DI (2). HoF1
biodine hyperfine structure constants.
(1) Rosenblum, Nethercot, PR .2.Z., 84 (1955).
(2) De Lucia-, Helminger, Gordy, PR A J., 1849 (1971).
1HI+1 8From Dg(HI) + I.P.(I) - I.P.(HI).
bFrom the electron impact appearance potential of HI++ (1).
cFrom the photoelectron spectrum (2)(3).
dUnlike those of HF, HCt, HBr, the A2E photoelectron peak Ho01
of HI is very broad and without vibrational structure,
clearly suggesting that the A2 E+ state of HI+ is strong-
ly predissociated. (3) estimate 6G(~) ~ 1040, r ~ 1.90.
+ e +
eEstimated by (3) from the constants for HF , HCt+, HBr •
(1) Dorman, Morrison, JCP Ji, 575 (1961).
(2) Frost, McDowell, Vroom, JCP 46, 4255 (1967).
(3) Lempka, Passmore, Price, PRS A~' 53 (1968).
Hoss
1Hr-1 (1) Spence, Noguchi, JCP .Q], 505 (1975).
Ho 2 s ~hermochemical value (mass-spectrom.)(l).
~hermochemical value (1).
bP, Q, and R branches.
cPerturbations.
dPossibly lowest component of an inverted triplet or
quintet state with large spin-orbit splitting.
(1) Zmbov, Margrave, JPC lQ, 3379 (1966).
(2) Robbins, Barrow, JP B 1, L234 (1974).
~hermochemical value (mass-spectrom.)(4), recalc. (5).
(1) Gatterer, RS 1, 139 (1942).
(2) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
(3) Mavrodineanu, Boiteux, "Flame Spectroscopy",
Wiley (1965).
(4) Ames, Walsh, White, JPC 11, 2707 (1967).
(5) Smoes, Coppens, Bergman, Drowart, TFS .2.2, 682 (1969).
~hermochemical value (mass-spectrom.)(l), recalc. (2).
( 1) Sea ref. ( 5) of Hoo.
(2) Bergman, Coppens, Drowart, Smoes, TFS 66, 800 (1970).

(1) Cocke, Gingerich, JPC 12., 3264 (1971). H0Se1 ~hermochemical value (mass-spectrom.)(l).
(1) See ref. (2) of Hos.

329
 330
State w Observed Transitions References
e
Design. J v00

127J2 µ = 63.4522378 I.P. = (9.Jll) evb JAN 1977 A

1
The absorption spectrum from 450000 to 870000 cm- (55.8 to 107.9 eV) at low resolution has
been described by (55). It corresponds to excitation from the 4d shell to various unfilled (55)
orbitals. I
The absorption spectrum in the VUV region at high resolution has most recently been photo-
graphed by (27) who gives an extensive table of observed features in the region 56500- 75800
cm- 1 • Most of the bands are assigned to extended Rydberg series converging to a common limit
at 75814 cm- 1 (9.400 eV), a smaller number to fragments of series converging to 80895 cm- 1
(11)(27)*
(10.0J eV). The limits are assumed to correspond to v=O of X 2 n , ~ and~' respectively, of
r 2+; see, however, b. Several of the progressions observed in a~sorption (27) appear to cor-
respond to emission bands recorded by (11) under medium resolution in the region 56000 -
68000 cm- 1 and classified by them as belonging to twelve systems. See also (6)(25)*.
d I-+(B),cR )6197 H (9) (12) (J2)
(5197.J)c 112.4 H 0.705
(46063) lOJ.7 H 0.095 (H-+B),e R J028) H (12)(J2)
f 47217.8 95.955 H O.J62J F~X,h R 47158.6 H (12) (J2) (47)*
F' 452)0 9).4 H o.6 F'-+X,i R 45169 H (11)
Suggested upper state of high temperature absorption "continuum"
G' (3n lg ) j (42)00)
{ shortward of J26J ~ ()0640 cm- 1 ).
G'-+-A, ( 5) (J2)

E Jn 0 +g j 41411.4 101.59 H 0.2380 I (J.65) E-+-B,k R 25630.5 H (1J)(J2)(47)*

D 12:+ J, (40679) 104.41 H 0.24)m D~X,n R (40624) (25)* (J2)
u ( 36)
Suggested upper state of high temperature absorption "continuum"
G Jn j ( 40)00)
{ shortward of )427 ~ (29170 cm- 1 ). G~ A I' 0 ( 5) (J2)
2g
Repulsive state from 2P + 2P responsible for a weak but broad
c 312 112
{ absorption continuum with maximum at 2700 ~ ()7000 cm- 1 ).P
C+- X (7)(10)(32)
aFrom the convergence of the vibrational levels in the
B 3n 0+u state (49)(50).
bFrom the photoelectron spectrum (JJ)(56)1 adiabatic poten-
tial established by temperature variation. The same method
yields 9.953 eV for the ionization potential to 2 n~g(v=O).
Neither result agrees with the values obtained by (27) from
Rydberg series, i.e. 9.400 and 10.0J eV. The discrepancy
could be understood if the Rydberg series were to corres-
pond to v'=J, but the absence of series with v'=O,l,2
would still be puzzling.
cWeak emission bands in the presence of foreign gases, 2785
- 27Jl R. Te is based on the assumption that the lower
state is the B state, but (J6) has suggested that instead
it may be the D state leading to Te~ 76872 cm-1 •
dUJ y = + 0.004.
e e e
Strong emission bands in the presence of foreign gases,
J460 - J015 R. It is by no means certain that the lower
state has been correctly identified as the B state. (J5)
suggests that the bands arise from the transition G~A'.
fconfiguration ••• 6: 'frl o,;.
1TJ
gFrom the intensity distribution and Franck-Condon
principle ()2)(47).
hin emission in electric discharges in the presence of
foreign gases, 2740 - 2490 R. Also observed for 12 9I 2 , con-
firming the vibrational numbering. Emission bands in the
region 2240 - 1950 R are assigned by (11) to a separate
system (called H-+ X) with v 00 = 48072 and w ~ 79. It seems,
however, possible that these bands belong to F-+ x.
iThe analysis of this fairly extensive system [2400 - 2240 R,
called E-+ X by ( 11) J is not yet supported by isotope
studies, nor is it seen in absorption.
'Tri
jConfiguration ••• 6"g 'iru4 ou2 •
kEmission bands in the presence of foreign gases, 4400 -
4000 R. Also observed for 12 9I 2 , confirming the vibrational
numbering. The E-+ B fluorescence spectrum following two-
photon absorption (77) consists of transitions both to the
discrete and to the continuous part of B,"the latter giving
rise to diffuse bands ("structured" continuum)(8J). From a
comparison of the calculated with the observed intensity
distribution (BJ) obtains the potential function of E as
well as the variation of the transition moment with r. The
lifetime of E-+B is 27 ns (82) confirming that this is an
allowed transition and that the E state is 3n 0+g.
4 4
J.Configuration ••• og 'IT'u 'ifg 6"u.
mw e y e = + 0.000451 the v' numbering is uncertain and, there-
fore, the vibrational constants are subject to change.
Tl.rhe system includes the absorption bands of (2)(J)(6), re-
measured by (20). It also includes the resonance series of
(14) in the region 18JO - 2J70 R which arise from very high
vibrational levels (v' ~ 195) of the D state excited by the
18JO R atomic line of iodine. The system further includes
the diffuse emission bands in the region 2500 - 5000 R with
a characteristic group near J250 R [McLennan bands (l)].
The diffuse bands have been recognized by (J2) to corres-
pond to transitions from D to the continuum of X [Condon
diffraction bands, see also (72)]. Earlier summaries (10)
(11)(27) gave an electronic state at Te= 51427.9 with we
169 .41, wexe = O. 941, w';y e = +O. 0022 which was to represent
the Cordes absorption bands from 1950 to 1795 ~ (6). Fol-
lowing (J2)(J6) we consider these bands as part of D+-X.
0
The G~A' transition has been observed to lase strongly
when mixtures of HI or CFJI or CHJI with argon (1000 - 4000
torr) are excited by a pulsed high current electron beam
(89). See also H-+B, footnote e.
PNature of the upper state (lu) and of the dissociation pro-
ducts confirmed by photofragment spectroscopy (54).
331
 332
State Te we we x e Be ~ De re Observed Transitions References
(lo- 9 cm- 1 ) (R) Design.
l voo

12712 (continued)
2
{Repulsive state from P~ + P,., responsible for absorption
2
continuum
B" 1 nlu q
'i 1 ! B"~X,r (Jl)(60)(7J)
with maximum at 20050 cm- and for the predissociation of B J no+u.
2
{Repulsive state from 2 P~ + Pl. The previous assignment of B' as the state responsible for
B' J Ilo-u q
the magnetic field indu~ed p~edissociation of B is now in doubt; see u
B Jn + q 15769.0l 125.697 z o.764 st 0.0290J uv 0.000158 wt 5.43x J.0247 B~ X, ryz R 15724.57a' Z (50)(59)*
0 u 2 9 2 (70)
q b' M-x,c' R (l1803)b'
A Jn lu (11888) (44.0)b' H ('l.O) (4)(60)
q
A' J Il2u (10100) Suggested as lower state of high temperature absorption bands near 3427 R (32)(35).
x 11:+ g 0 214.502 7
l
d' z 0.614 d' 0.03737 d'g'
2 0. 000113 8 d 4.25
e
'l
2.6663
l
Raman sp .f'
I
l (48)(71)

r 2 (continued) 1
q Con f.igura t·ion ••• ~g2 '!Tu4 'frg3"""
vu•
rf values based on magnetic circular dichroism spectra have
been estimated as 0.0018 (B"~X) and 0.009 (B+-X) and have
been compared with earlier results (78). For a comparison
of theoretical and observed intensities in the B X reson-
ance series see (17).
s - 0.00178(v+t)3- o.0000738(v+?r) 4 +. o.00000103(v+~)5' from
levels with 4bv~50 (50).
tSomewhat different constants, valid for 4f: v f=77, are given
by (70)1 Te= 15768.32, we= 126.165, wexe = 0.8673, ••• ,
Be= 0.028939, ae = 0.0001204, ••• (using calculated Dv
values); see also (51)(90). RKR potential curve (50). For
a discussion of the long-range potential and ~G, Bv values
near the dissociation limit see (29)(39)(50)(58)(62)(66).
uCollision induced predissociation of the B state (21)1 mag-
netic field induced predissociation (22)(42)(43): sponta-
neous predissociation (46)1 hyperfine predissociation (86).
The purely radiative lifetime (J7)(46)(86) increases
°' smoothly from 0.91 µs at v=7 to approximately 10 µs at the
highest observed levels. The measured lifetimes (37)(41)
(52)(57)(76)(80) are considerably reduced by spontaneous
predissociation due to rotational and hyperfine mixing with
B" 1 n1 u , the latter leading to differences in lifetime
between ortho and para levels (86). Only near v=l2 and
above v~50 are the actual lifetimes close to the purely
radiative ones. The magnetic field induced predissociation
of B Jn 0+u was previously assumed to be caused by B' 3rr 0 -u,
and a potential function for this latter state was derived
r 2 (continued)1
from magnetic quenching data (43)(53). The recent obser-
vation, however, of a quantum interference effect between
magnetic and spontaneous predissociations (64)(68)(85)
has established that the magnetic predissociation, too,
is produced by the B" 1 n1 u state.
vgJ varies from -0.059 at low v to -5.45 ~ near the dis-
sociation limit; from Hanle effect observations (J8)(79)
(87)(88). See also (69).
w - 3 • J 6 x 10 - 7 ( v+t) 2 - 4. 7 8 x 10 - 8 ( v+t) J + 3. 2 6 x 10 -l O( v+t ) 4 ,
from levels with 4 6 v ~ 77 ( 50).
x/3e ~ + O.J 0 x 10-9 for v~ 10 (50). Dv increases rapidly
above V=20; for more details see (51)(70).
YThe continuum joining onto the discrete bands is over-
lapped by the B"~X continuum. A resolution of these two
continua and the A~X continuum was given by (60). See
also (61).
zThe hyperfine structure of several lines has been ob-
served by various high resolution laser techiques; elec-
tric quadrupole, magnetic octupole, and other magnetic
hfs constants have been evaluated (23)(24)(28)(JO)(J4)
(40) (45) (6J) ( (65) (74) (81) r similar analyses for 12 91 2 and
127,129 ( ).
1
12 84
a_ Extrapolated from data with v·~ 4. The vibrational num-
bering, changed (19) by 1 from the previous table in
MOLSPEC l, has been confirmed by isotope studies (18).
b'(60) suggests that the v• numbering of (4) may have to be
raised substantially. Preliminary results of a rotational
analysis (92) of nine bands in the A~ X, v"=5 progression
and of three bands in the v"=4 progression indicate that
w• ~ 57.5, w•x• ~ 1.85, B'(for the lowest analyzed level)
= 0.02375, ~· ~ 0.0005.
c'The continuum joining onto the discrete bands has been
studied by many investigators, most recently by (60) who
derives an f value of 0.00062; see also (78).
d'These constants (50) represent the levels v=0-5; (70), for
v=0-6, give we = 214,582, wexe = 0.6243, Be = 0.037363,
ae = 0.0001145 using calculated Dv values. On the basis of
the resonance series of (8)(16) and (14), (26) has given
polynomial formulae for G(v), Bv, and Dv valid up to v=821
we = 214.548, we x e = 0.6163, _••• , Be = 0.037395,_ ~e =
0.0001244, ••• , De= 4.54x 10 9 , /3e = 0.017x 10 9 , ••••
The most accurate constants for v=O were derived (91) from
the analysis by means of Fourier transform spectroscopy of
the Bf- X, 30-0 bands B 0 = 0.037311 , D0 = 4 .5 x 10 -9 ,
-15 • 5 5
H = - O. 7 6 x 10
0
The vibrational levels of the ground state have been
observed up to v=84 [D-7X resonance series (14)], i.e. to
within 400 cm-l of the dissociation limit. The levels v" =
98 ••• 115 originally reported by (14) were found to be due
to an NO impurity ( 67). As a consequen·ce the RKR potential
function of (14) must be corrected at high v. The RKR
curves of (17) and (26) extend only to v=82 and are unaf-
fected by this correction.
e'13. = + o.32x 10- 9 ; see d'.
f' e
High resolution resonance Raman spectra of I 2 vapour up to
the eleventh overtone (12-0). Raman spectra in rare g~s
matrices (75).
g'gJ(v=O, J=12,~4) 9 .13 x 10 -4 µN f1wm non-linear
. level
crossing ( 44).
References on p.335 and 337.
333
 334
State Te I.I)
e wexe Be <Xe De re Observed Transitions References
(lo- cm-1 ) (~) Design.
l voo

12112 + µ = 63.452101 0
DO= (2.683) eva JAN 1977
B (2E+)g (27900)b
2 (18950)b
A 2 2
Il1u
IltU
(12420)b
2 5180c 220d
x 2nig
0 240d
njg

127J2 - µ = 63.452375 n00 = 1.04 eVa I.P. = 2.56 evb JAN 1977
2 (72100) Resonances (due to inverse preionization) in the electron transmission current at
( Il.i.g) {J)
E 2 2
( ntg) . ( 67300) 5.78 and 6.38 eV.c
x (2E+)
u 0

aFrom ng(I
2 ) + I.P. (I) - I.P. (I 2 ); the uncertainty in the aFrom n 0~r 2 ) and the electron affinities of I and r 2 •
ionization potential of r 2 (see b of I 2 ) makes Dg(r 2+) bFrom endoergic charge transfer, weighted average of the
equally uncertain. values in (1) and (2).
bFrom photoelectron spectra (1)(4). 0
The 2n. excited state is derived from the "grandparent"
2 ig
cFrom the photoelectron spectrum (5). (1) obtain 5080. X Ilig of 1 2 + by the addition of a pair of nsff Rydberg ·
dAverage vibrational spacings in the photoelectron spec- electrons. Weaker resonances at 6.85 and 7.15 eV may be
trum of (5). Good agreement for the j component with associated with the configuration ••• ns6"' np6/tr.
W= 238 from the resonance Raman spectrum in solution (2).
(1) Chupka, Berkowitz, Gutman, JCP .i.2, 2724 (1971).
(1) Frost, McDowell, Vroom, JCP 46, 4255 (1967). (2) Baede, Physica ..22,, 541 (1972).
(2) Gillespie, Morton, JMS JQ, 178 (1969). (3) Spence, PR A 10, 1045 (1974).
(3) See ref. (27) of 12 •
(4) Cornford, Frost, McDowell, Ragle, Stenhouse, JCP ...5!!,
(5) See ref. (56) of r 2 • I
2651 (1971).
r 2 (continued) s

(1) McLennan, PRS A 88, 289 (191J); 21, 2J (1914). (JO)Hanes, Lapierre, Bunker, Shotton, JMS J.2., 506 (1971).
(2) Pringsheim, Rosen, ZP .2.Q, 1 (1928). (Jl) Oldman, Sander, Wilson, JCP 2!,, 4127 (1971).
(J) Kimura, Miyanishi, Sci. Pap. IPCR (Tokyo) 10, JJ (1929). (J2)Mulliken, JCP 2.2., 288 (1971).
(4) Brown, PR J.§., 1187 (19Jl). (J3) Potts, Price, TFS §1_, 1242 (1971).
(5) Skorko, Na~ure 1.:2!, J66 (19JJ)s APP J, 191 (19J4). (34)Sorem, Levenson, Schawlow, PL A Jl, 33 (1971).
(6) Cordes, ZP .21, 603 (1935). (35) Tellinghuisen, quoted in (J2).
(7) Kortttm, Friedheim, ZN£ a, 20 (1947). (36) Wieland, quoted in (J2).
(8) Rank, Baldwin, JCP 12., 1210 (1951). (37) Brewer, Tellinghuisen, JCP ..i2,, 3929 (1972).
(9) Venkateswarlu, PR 81, 821 (1951). (38) Broyer, Lehmann, PL A 40, 43 (1972).
(10) Mathieson, Rees, JCP £2,, 753 (1956). (J9) Le Roy, CJP 2Q, 953 (1972).
(11) Haranath, Rao, JMS £, 428 (1958). (40) Levenson, Schawlow, PR A~' 10 (1972).
(12) Verma, PIASA 48, 197 (1958). (41) Shotton, Chapman, JCP ..2§., 1012 (1972).
(lJ) Haranath, Rao, IJP ~' 123 (1960). (42) Capelle, Broida, JCP ..21, 5027 (1972).
(14) Verma, JCP ]£, 738 (1960). (4J) Chapman, Bunker, JCP ..21, 2951 (1972).
(15) Weissman, Vanderslice, Battino, JCP J2, 2226 (1963). (44) Solarz, Levy, CPL 11, 35 (1972).
(16) Rank, Rao, JMS .!J, 34 (1964). (45) Sorem, H~nsch, Schawlow, CPL 11, JOO (1972).
(17) Zare, JCP 40, 1934 (1964). (46) Tellinghuisen, JC~ ..21, 2397 (1972).
(18) Brown, James, JCP 42, 33 (1965). (47) Wieland, Tellinghuisen, Nobs, JMS 41, 69 (1972).
(19) Steinfeld, Zare, Jones, Lesk, Klemperer, JCP 42, 25 (48) Kiefer, Bernstein, JMS !±J., J66 (1972).
(1965). (49) Barrow, Broyd, Pederson, Yee, CPL 18, 357 (197J).
(20) Nobs, Wieland, HPA J2, 564 (1966). (50) Barrow, Yee, JCS FT II £2, 684 (197J).
(21) Steinfeld, JCP 44, 2740 (1966). (51) Brown, Burns, Le Roy, CJP ..2.!, 1664 (1973).
(22) Degenkolb, Steinfeld, Wasserman, Klemperer, JCP ..2.!, (52) Capelle, Broida, JCP 2§., 4212 (1972).
615 (1969). (5J) Child, JMS ~' 293 (1973).
(23) Hanes, Dahlstrom, APL 14, J62 (1969). (54) Clear, Wilson, JMS !±1, 39 (1973).
(24) Kroll, PRL .£1, 631 (1969). (55) Comes, Nielsen, Schwarz, JCP 2§., 22JO (1973).
(25) Myer, Samson, JCP jg_, 716 (1970). (56) Higginson, Lloyd, Roberts, CPL 12., 480 (1973).
(26) Le Roy, JCP jg_, 2683 (1970). (57) Keller, Broyer, Lehmann, CR B ?:JJ.., J69 (l97J).
(27) Venkateswarlu, CJP 48, 1055 (1970). (58) Le Roy, in "Molecular Spectroscopy", Vol. ,!, p. llJ~
(28) H~nsch, Levenson, Schawlow, PRL 26, 946 (1971). The Chemical Society (197J).
(29) Le Roy, Bernstein, JMS JZ, 109 (1971). (Continued on p. 337 )

335
 336
State Te w Observed Transitions References
l
e
(i) Design. v 00

1271798r µ = 48.6587937 I.P. = 9.85 evb JAN 1977 A

2 2 +
Fragments of several Rydberg series converging to X Ili and Il! of IBr • Tentative assign-
62000 - 77000 (18)
{ ments. The three strongest series join on to E, H, J, resp ••
J 65793 [267] H J+- X, 65792 H (18)
H (64092) (290) H H+- X, (V) (6410J)c H (14)*
G (608'77) (280) H G+- X, (V) (6088J)c H (14)*
F 56349 [310] H F~ X, d V 56370 H (3)(5)(14)*
E 516'7'7 [314] H E-+--+ X, e V 51700 H (.3 )( 5) ( 14) *
D (38849) 90.2 H 0.15 D-H, f R (26476) H (5)(6)
Diffuse emission bands from 19000 to 29000 and 36000 to 43000 cm- 1 • (4)
Fragments of three emission band systems near 18600, 22300, and 24500 cm- 1 • (6)
Weak continuous absorption with maximum at 37000 cm- 1 • (B'<- X) }
(12)(14)
Strong continuous absorption with maximum at 20200 cm-l.g (B+-X)
Potential well resulting from an avoided intersection of a
(60) B'+-X, R (2)(10)*
{ repulsive o+ state with B 3n +; see (2)(10)(19)(23).h
0

IBra aFrom the convergence of A 3n 1 ; see l.
bvertical potential from the photoelectron spectrum (17);
vibrational structure not resolved. From the temperature
dependence of the photo-ion yield curve in the threshold
region (17a) conclude that the adiabatic potential is
probably 9.79 eV.
c(l8) give 63573 and 60624 as 0-0 bands of these systems
[called F-X, and E-X, resp., by (14)]; the band inter-
vals seem to fit better with the choice made here.
dFormerly called D- X.
eFormerly called C - X. An extended resonance series excited
by the 1849 RHg line (1) may originate from a high level
(v'=8?) of E.
fThe analysis of this system was based on the old (2) number-
ing of the A- X system. The shift in the numbering by one
unit established by (9) means either that the v"=O column
has to be omitted from the D-A Deslandres table of (6),
and thus .v 00 = 26340, or that the l\G" values of (6) are
systematically higher than those of (2) and (9). Our choice
of v 00 [from (6)] corresponds to the latter alternative.
IBr (continued)1
gAbsorption in the continuum at v£JJOOO cm-l produces pre-
dominantly excited Br 2P 1 atoms [diabatic dissociation,
2
.
see ( 1 4)] • By contrast, absorption a t 188 JO cm -l , i.e.
. observed level, (19) suggest v=2, while (22) prefer v=5.
closer to the region of the avoided crossing of the two
o+ curves, leads mainly to ground state Br 2P1 atoms [a-
diabatic dissociation (15)]. See also the dis~ussion in
(19a).
hVibrational levels of this state, some sharp, others dif-
fuse, have been observed (2) from 17215 cm- 1 (relative to
X 1 E, v=O) to 18Jl5 cm- 1 , i.e. to within JO cm- 1 of the
limit I{ 2P 3 )+ Br( 2P 1 ) . The vibrational numbering is still
2
undecided; (10), following (2),assigns v=8 to the lowest
Narrow J regions of a number of levels have been analyzed
by (10); Bv varies from O.OJ226 (r 81 Br) for v=8 in the num-
bering of (10) to 0.0229 (r79Br) for v=27. The levels v=25
of r 81 Br and v=26 of r79Br have also been observed in the
magnetic rotation spectrum (7).
(references on p. JJ9)

I 2 (continued)c
(59) Singh, Tellinghuisen, JMS ~' 409 (197J). (76) Paisner, Wallenstein, JCP 61, 4317 (1974).
(60) Tellinghuisen, JCP 2§., 2821 (197J). (77) Rousseau, Williams, PRL l}, 1J68 (1974).
(61) Tellinghuisen, JCP ..22., 849 (197J). (78) Brith, Rowe, Schnapp, Stephens, CP 2, 57 (1975).
(62) Yee, CPL 21, JJ4 (1973). (79) Broyer, Lehmann, Vigue, JP(Paris) ..}Q, 235 (1975).
(63) Youmans, Hackel, Ezekiel, JAP 44, 2Jl9 (1973). (80) Broyer, Vigue, Lehmann, JCP .QJ., 5428 (1975).
(64) Broyer, Vigue, Lehmann, CPL 22, 31J (1973). (81) Hackel, Casleton, Kukolich, Ezekiel, PRL J.2, 568 (1975).
(65) Ruben, Kukolich, Hackel, Youmans, Ezekiel, CPL 22, J26 (82) Rousseau, JMS 2§., 481 (1975).
(66) Le Roy, CJP .2.f., 246 (1974). (197J). (83) Tellinghuisen, PRL J!±, 1137 (1975).
(67) Verma, Le Roy, JCP 61, 4J8 (1974). (84) Tesic, Pao, JMS.5.Z, 75 (1975).
(68) Vigue, Broyer, Lehmann, JP B 1, Ll58 (1974). (85) Vigue, Broyer, Lehmann, JCP 62, 4941 (1975).
(69) Wallenstein, Paisner, Schawlow, PRL 1£, 1J3J (1974). (86) Broyer, Vigue, Lehmann, JCP 64, 479J (1976).
(70) Wei, Tellinghuisen, JMS .iQ, Jl7 (1974). (87) Gouedard, Broyer, Vigue, Lehmann, PRL ..}Q, 906, 996
(71) Williams, Rousseau, Dworetsky, PRL 1£, 196 (1974). (1976).
(72) Tellinghuisen, CPL~. 359 (1974). (88) Gouedard, Broyer, Vigue, Lehmann, CPL !±J., 118 (1976).·
(73) Brown, Burns, CJP ..2£, 1862 (1974). (89) Hays, Hoffman, Tisone, CPL J2., J5J (1976).
(74) Bunker, Hanes, CPL 28, 377 (1974). (90) Tellinghuisen, JMS 62, 294 (1976).
(75) Howard, Andrews, JRS £, 447 (1974). (91) Gerstenkorn, Luc, Perrin, JMS 64, 56 (1977).
(92) Ashby, private communication (1975).

337
 338
State Te w
e w x
e e Be «e De re Observed Transitions References
(lo- 8 crn- 1 ) (i) Design. l voo

1211798 r (continued)
I
B 3n +
0 16168 142.5 z 2.57i o.o432jk o.0005J n2 = 2. 2 2.8J B+- X, R 16104j z (2) (11)
I rn
A Jn 1 12350 138 1.7.l B = O. OJ80Jrn D = 3. 0 A~X,n R 12285° (2)(9)*
9 I 9 (lJ)*
x lr;+ 0 268.64 0P z o.814 q
0
o.0568325 2 r 0.00019690] ( 1. 02) 2.468989 Raman sp. t (16)
Microwave sp. u (20)

127!C79l8r + 0
Do = 2.42 eVa JAN 1977
B 2r;+ (31050)
2 (20410)
A 2n1;2 .,
n3/2 (17260) From the photoelectron spectrum (band maxima) (1).
2 4600
x 2111/2
nJ/2 0 .
1211 C79> Br - 0 .
Do = 1.1 2 eV
b
I.P. = 2.6 eve JAN 1977
7

!Br (continued) 1

81
. e y e = - O.lls from V=2,3,4, inclµding data for r Br.
iw
JExtrapolated from data with v'=2,J,4.
kBands with v'=5 are diffuse, presumably because of pre-
~issociation into the intersecting O+ state from 2PJ/2 +
PJ/2 • Higher levels are not observed; see, however,
B' o+.
lw e y e = - 0.02; the constants represent the levels v' =
5 ••• 16 (9)(1J), vibrational numbering confirmed by the
observed isotope shifts (9). Levels have been identified up
to v=4J, convergence at 14660 cm-1 •
mBv and Dv values from v=9 to JO are listed by ( 9). The A-
type doubling constant q [~B(R,P)-B(Q)] for v=l4 is +lOx
lo- 6 and increases to 42 x 10-6 for v=29.
nAn extended magnetic rotation spectrum has been observed
by ( 7).
0
Extrapolated from data with v·~ 5.
IBr (continued)1 IBr (continued) 1

PThese vibrational constants from laser-excited fluores- (19) Child, Bernstein, JCP 22., 5916 (197J).
cence data (24) differ only very slightly from the earlier (19a)Coxon, in "Molecular Spectroscopy", Vol. !, p. 177.
constants of (9). The Chemical Society (1973).
q~eYe = - 0.0017 7 • (20) Tiemann, Moller, ZN ]Q a, 986 (1975).
rMicrowave value of (20), in good agreement with the less (21) Wight, Ault, Andrews, JMS 2£, 2J9 (1975).
accurate values from the electronic spectrum (9)(24). An (22) Couillaud, Ducasse, Garrido, Joly, JP B 2, 2091
earlier microwave value by (8) was clearly erroneous. (1976).
sr. = - 4.7x lo- 7 • (2J) Faist, Bernstein, JCP 64, 2971 (1976).
t e
Resonance Raman spectra in argon matrices (21). (24) Weinstock, JMS 61, 395 (197q).
uiodine and bromine eqQ values for v=0,1,2.
IBr+, IBr-:
(1) Loomis, Allen, PR JJ., 639 (1929). aFrom Dg(IBr) + I.P. (I) - I.P. (IBr).
(2) Brown, PR 42, 355 (19J2). bFrom D~(IBr) and the ·electron affinities of Br and IBr.
(3) Cordes, Sponer, ZP 1.2, 170 (19J2). cFrom endoergic charge transfer, average of three' values
(4) Asundi, Venkateswarlu, IJP 21, 77 (1947). (2)(3).'
(5) Haranath, Rao, IJP J.1., 368 (1957).
(6) Venkateswarlu, Verma, PIAS A !±1_, 150, 161 (1958). (1) See ref. (17) of IBr.
(7) Eberhardt, Cheng, Renner, JMS J, 664 (1959). (2) Chupka, Berkowitz, Gutman, JCP ji, 2724 (1971).
(8) Jaseja, JMS j, 445 (1960). (J) Baede, Physica 22., 541 (1972).
(9) Selin, AF 21, 479 (1962).
(10) Selin, AF 21, 529 (1962).
(11) Selin, Soderborg, AF 21, 515 (1962).
(12) Seery, Britton, JPC 68, 2263 (1964).
(lJ) Clyne, Coxon, JMS £], 258 (1967).
(14) Donovan, Husain, TFS 64, 2325 (1968).
(15) Busch, Mahoney, Morse, Wilson, JCP 21,, 837 (1969).
(16) Holzer, Murphy, Bernstein, JCP if., J99 (1970).
(17) Potts, Price, TFS Qz., 1242 (1971).
(17a)Dibeler, Walker, McCulloh, Rosenstock, IJMSIP z,
209 (1971).
(18) Donovan, Robertson, SpL j, 361 (1972).

339
 340
State w w x Be tre De re Observed Transitions References
e e
e
(lo- 8cm- 1 ) (i) Design. J v 00

0 I.P. = 10.08 evb

0 = 2.1531
µ = 27.4146708 D eVa JAN 1977 A
Fragments of many Rydberg series in the absorption spectrum above 60000 cm-l have been ob-
served and tabulated by (23); see also (19). The intensities in these series are most irre-
gular, possibly because of perturbations by valence states in this region. The Rydberg (23)*
series are believed to converge to two limits at 81362 and 85996 cm-l corresponding to the
2
n312 and 2 n112 , v=O components of the ground state of IC.l + •
L 71006 [420] H Strong progression, Ft-X of (14), n of (23). L~X, v 71024 (14)* (2J)*
5
G 66484 [421] H Strong progression, E+-X of (14), g of (23). G~ X, v 66503 H (14)* (2J)*
5
Extensive system of absorption bands in the region 60250 - 63300 cm-l , not yet analyzed. (23)
F [445] H Extensive band system, formerly D- X, b 6 of (2J). F~X, v 58198 H (2) (7) (14)*
(23)*
E 53477 [434] H Extensive band system, formerly C- X, a 6 of (23). E~X, v 53502 H ( 2) ( 7) ( 14) *
(23)*
Continuous absorption with maximum at 41600 cm- 1 • (11)
D 37585 17J.2 H 1.1 I Extensive band system. D~A, c R 2J824 H (7)*
Diffuse emission bands between 18700 and 27100 cm- 1 • (4)
Continuous absorption with maximum at 21000 cm-l.d (11)
Potential well arising from the avoided crossing of the
B' O+

B 3n +
3n
0
(18157)

17363.1
[32]

221.1 f
212.3i
!"original" B 3n 0+ curve going to r( 2P]) + c.e( 2P.!.) and the
repulsive o+ curve coming from unexcited atoms~ see also
(20b).e
z 9.62
2.39j
o.0872fg
o.o84832k
0.0017 (10)
(5.4)
2.66
2.6923
B't-X,

B~ X,h
R 17981

R 17279·5
Al+-4X,m R 13656i
f
H

z
H
(1)

(1)(10)
(.3)* (8) (10)
A
1 13742 H
(12)*
x lr;+ 0 J84.29J z 1.501 0.1141587n 0.0005354 (4.03) . 2. 320878 Infrared sp. 0 (6)
Raman sp.P (15)
Microwave sp. 0 (5)(20)

ICi1 aFrom the convergence limit of A 3n , see
1
bAverage value obtained by photoelectron spectroscopy
(17)(18) and photoion mass-spectrometry (18a).
cConstants of (7) for the lower state (w~ = 209,7, w~x~
1.9) are not in agreement with the work of (12) and (21)
concerning the A 3n 1 state; see (12). This system was
also observed in fluorescence following two-step laser
excitation D<-Atr-X (22). (Note that ve given by (7) does
not match their observed v 00 .)
dAt least partly due to B<-X; see the discussion in (20a).
eThere are fragments of fairly sharp branches at places
corresponding to extrapolated levels of B 3rr 0+.
fExtrapolated from data with v' = 1,2,J.
gv'=4 is strongly predissociated and gives rise to broad,
diffuse absorption bands; no higher levels are observed.
At high resolution (25) even v'=J shows appreciable broa-
dening of the individual lines which rapidly increases
above J'=J7 and is presumably caused by predissociation
into the a+ state arising from 2P 3 + 2P 3 ; see B' a+. The
0:2
non-radiative lifetime varies fro~ ,.,,. ns at low J to
0.02 ns at J=42 (25).
hThe f value is estimated to be 0.0026 corresponding to a
radiative lifetime of 1 µs (25).
ivibrational constants from (12) whose measurements of the
I+ Ci chemiluminescence spectrum include bands with v• =
1 ••• 18. (21), extrapolating from the data (zero lines) of
( 10) for J 6 v' 6 19, obtain v 00 = 13655. 2J. Earlier, from
band origins with 7 ~ v' ~ 19, (10) derived we = 209.l~l,
.wexe = 1.886, weye = - 0.03558, v 00 = 13660.29. See J.
Jw e y e = - 0.012 (12). Tv values for JS levels (v~J) are
listed in (10). There is a strong vibrational perturbation
above v=J4, but the last few levels are again regular and
converge to 17J66.o cm- 1 •
k
Be' as well as B0 = o.o8458J, B1 =0.083995, B2 = 0.083308,
have been extrapolated by (21) from the Bv values of (10)
for J 6 v 6 19. Bv values up to v=40 are tabulated in (10).
The A-type doubling constant q [ ~ B(R,P)-B(Q)] increases
from +l.J2x 10-5 for v=lO to +11.0x 10-5 for v=27, but the
doubling becomes irregular at higher v values (10). The
dipole moment in A 3n 1 varies from 2.0 0 D at v=7 to o.6 D
at v=27 (21); sign opposite to that in X l~+. RKR poten-
tial curve (20a).
£Fluorescence lifetimes of 110 and 76 µs have been measured
(16) following laser excitation at 6068 and 5922 R, resp ••
mMagnetic rotation spectrum (9); its intensity drops sharply
above v'=28. See also (13). Laser induced fluorescence
series in argon matrix (24).
nFrom the microwave spectrum (20); in excellent agreement
with the much earlier values from the electronic spectrum
( 3).
0
µe£(v=0) = 1.24 D (20); dipole derivative 2.1 DjR (6).
Electric quadrupole coupling constants .for I and Ci in
(20), also iodine spin-rotation constant.
PResonance Raman spectrum in argon matrix (24).
(1) Brown, Gibson, PR 40, 529 (1932).
(2) Cordes, Sponer, ZP J.2.., 170 (1932).
(3) Curtis, Patkowski, PTRSL A~' 395 (1934).
(4) Asundi, Venkateswarlu, IJP 21, 76 (1947).
(5) Townes, Merritt, Wright, PR 1J, 1334 (1948).
(6) Brooks, Crawford, JCP _g], 363 (1955).
(7) Haranath, Rao, IJP J1, 156 (1957).
(8) Hulthen, Johansson, Pils~ter, AF 14, 31 (1958).
(9) Eberhardt, Cheng, Renner, JMS J, 664 (1959).
(10) Hulthen, Jarlsater, Koffman, AF 18, 479 (1960).
(continued on p. J43 )
341
 342
State Te w wx Observed Transitions References
e e e
Design. l v 00

127!(35)(l + °
D0 = 2. 52 eva JAN 1977
B ( 2r.:) ( 33550)
A ( 2II)
2
x /1;2
II3;2

12.1119F
(22420)
4680
0

µ
[.390]

= 16.5245715
I From the photoelectron spectrum (band maxima) (1).

n00 = 2.87 9 eVa I.P. = (10. 5) evb JAN 1977 A

B 3n +
0 19052.24 411.34c z 2.s25d 0.22721 e 0.001399
f
0.28 2.1189 B-+X,g R 18952.86 z (2)* (J)*
(7)*
A 3n 1 15706 380.5 H 3. 8 A-+X, R 15591 H (7)*
x lr.;+ 0 610.24c z 3.123h 0.2797108 0.00187.34 i 0.237 1.909759 Microwave sp) (5)(6)
.,

c11s>In2 (µ = 57.451938) O
0 = i.o 1 ev
D
a APR 1977
R and V shaded bands in emission from 16800 to 20000 cm-1 (w' ~ 115,
(.3)
w" ~ 142) and in absorptionb from 26000 to 28000 cm-1 •
IC.t (continued)1 IF (continued) 1

(11) Seery, Britton, JPC 68, 2263 (1964). been recalculated from the data of (2). Similar revised
(12) Clyne, Coxon, PRS A~' 424 (1967). constants for the ground state may be found in (8). Ad-
(lJ) Stalder, Eberhardt, JCP !±1, 1445 (1967). ditional higher order constants are needed to represent
(14) Donovan, Husain, TFS 64, 2J25 (1968). the B state levels above v=6.
(15) Holzer, Murphy, Bernstein, JCP ~' J99 (1970). dweye = - 0.0744; see c.
(16) Holleman, Steinfeld, CPL 12, 4Jl (1971). eOnset of predissociation at J=45 of v=ll (2JJ41 cm- 1 ).
f
(17) Potts, Price, TFS~.', 1242 (1971). re = - 0.000082·
(18) Cornford, Thesis (Univ. of British Columbia, 1971). gRKR Franck-Condon factors, variation of transition
(18a)Dibeler, Walker, Mcculloh, Rosenstock, IJMSIP 2, moment with r (7).
209 ( 1971). hw y = - 0.00347.
i e e
(19) Donovan, Robertson, SpL j, 281 (1972). .re = - 0.0000027.
(20) Herbst, Steinmetz, JCP 2£, 5J42 (1972). Jiodine hyperfine coupling constants (6).
(20a)boxon, in ttMolecular Spectroscopytt, Vol.!, p. 177. (1) Irsa, Friedman, JINC Q, 77 (1958).
The Chemical Society (197J). (2) Durie, CJP 44, JJ7 (1966).
(20b)Child, Bernstein, JCP 2.2,, 5916 (197J). (J) Clyne, Coxon, Townsend, JCS FT II 68, 21J4 (1972).
(21) Cummings, Klemperer, JCP 60, 2035 (1974). (4) See ref. (20b) of IC.t.
(22) Barnes, Moeller, Kircher, Verber, APL 24, 610 (1974).
(5) McGurk, Flygare, JCP 22_, 5742 (197J).
(2J) Venkateswarlu, CJP j], 812 (1975). (6) Tiemann, Hoeft, Tarring, ZN 28 a, 1405 (197J).
(24) Wight, Ault, Andrews, JMS 2£, 239 (1975). (7) Birks, Gabelnick, Johnston, JMS 52, 2J (1975).
(25) Olson, Innes, JCP 64, 2405 (1976). (8) Coxon, CPL Jl, 1J6 (1975).
IC.t+I ~rom Doo(IC.t) + I.P.{I) - I.P.{IC.t). In 2 1 aThermochemical value {mass-spectrom.)(2)(4).
(1) See ref. (17) of IC.t. bsee also the earlier work of (1).

IF1 aThis is the value of (7) and (8) based on a discussion of (1) Wajnkranc, ZP 104, i22 (193617).
the vibrational levels in A 3n 1 and B 3n 0+; an upper limit (2) De Maria, Drowart, Inghram, JCP ]1, 1076 (1959).
of 2.894 eV follows from the observed predissociation in (J) Ginter, Ginter, Innes, JPC £2., 2480 (1965).
B. (4) suggest ng=2.54 eV on the basis of comparisons (4) Gingerich, Blue, 18th Annual Conference on Mass
Spectrometry and Allied Topics. San Francisco
with other interhalogens.
bElectron impact appearance potential (1). (June 1970).
cThe vibrational constants for both B Jn 0 + and X l~+ have

343
 344
State Te w wx Observed Transitions References
l
e e e
Design. v 00

11s1ns1 Br µ = 47.480276 I.P. = 9.09 eVb JAN 1977 A

c ln (J4000) Fluctuation bands with various v"; shallow upper potential curve. C\- X, J505f (l)*
B Jn 27J82.2 218.0d H 1.60 B~X, VR 27J80.5 H (l)* (5)*
1
A Jn +
0 26596.0 227.4d H 1.58 A~X, v 26599.0 H (l)* (5)*
x ll::+ 0 221.0 H 0.65 o.0548944e o.0001s62e (l.J5) 2.54Jl8 Microwave sp.f ( 2)

115InC79>8r + JAN 1977

B ( 2l::) (26500)
A (2Il)
x (2I:)
(4JOO)
0
} From the photoelectron spectrum (adiabatic potentials)(6).h

11srn3sc1 µ = 26.8097927 I.P. = 9.51 evb JAN 1977

Continuous absorption, tv47600 cm- 1 • ( 1) (J)
D Narrow continuum, maximum at J8260 cm -1 . D~ X, (1)(2)* ( J)
c ln J748J.6 177.J HQ 12.6 c c~x, R 37410.7 HQ (1) (2)* (J)*
B Jn 28560.2 JJ9.4d H 2.1 [0.1152] [2.4] [2.JJ6] Bf--?X, v 28570.9 H (2)* (7)
1 (14)*
A Jn + 27764.7 J40.J H 2.0 0.1155 0.000654 6.5 2.JJJ A~X v 27775.9 H (2)* (7)*
0 (14)*
x ll::+ 0 317.4 HQ 1.01 0.1090580 o.0005178e (5.14) 2.401169 Microwave sp. f (5)(9)(10)

11srn<3s1c1 + JAN 1977

B {2I:)
A (2Il)
x ( 2L:)
(26700)
(5JOO)
0
} From the photoelectron spectrum (adiabatic potentials)(l2).h
InBr, InBr+1 InC.t, InC.l+ (continued):
aFrom thermochemical data and spectroscopic evidence bAdiabatic potential from the photoelectron spectrum (12);
about the 1 n and Jn excited states; see (J). In good vertical potential 9.75 eV.
agreement with 4.o 2 eV obtained by flame photometry cThe rotational analysis of v=O by (J) is probably not cor-
(4). rect [see (4), p.967-8]. Predissociation for v~l; the
bAdiabatic potential from the photoelectron spectrum diffuseness is stronger for v=2 than for v=l.
(6); vertical potential 9.41 eV. dConstants from (2), slightly different constants in (14).
cVertical transition from v"=O. e de = + 8 • 4 x 10 -7 •
dConstants for ll5rn7 9Br are given by (5) who propose fµe.l(v=O) = J.79 D (lJ). Quadrupole coupling constants (11).
small changes in the vibrational numbering of the gFrom D0°(InC.l) + I.P. (In) - I.P. (InC.t).
B-X bands observed by (1). hThe maximum (vertical potential) of the very broad 2n peak
eCalculated from the rotational constants for the is at 10.85 eV, i.e. the 2n potential curve in the Franck-
11 5rn79Br isotope (2). Condon region has risen rv0.6 eV above its dissociation
fElectric quadrupole coupling constants. limit In+ ( 1s) + Ct ( 2P).
gFrom Dg(InBr) + I.P. (In) - I.P. (InBr). (1) Miescher, Wehrli, HPA £, 256 (19JJ).
hThe 2 n photoelectron peak is very broad with a maximum (2) See ref. (1) of InBr, InBr+.
2 2 .
at 10.20 eV (Ill..?) and a shoulder at "'-'9.8 eV ( Il3?). (J) Froslie, Winans, PR .z..g, 481 (1947).
2 ~
These vertical potentials are close to the dissociation (4) Barrow, Glaser, Zeeman, PPS A 68, 962 (1955).
limits In+( 1 s)+Br( 2 P~, 2 Pf) at 10.2 4 and 9.7 8 eV, res- (5) See ref. (2) of InBr, InBr+.
pectivelyt and seem compatible with the predicted in- (6) See ref. (J) of InBr, InBr+.
stability or near instability of A 2n. (7) Youngner, Winans, JMS 4, 2J (1960).
(1) Wehrli, Miescher, HPA £, 457 (19JJ); 1, 298 (19J4). (8) See ref. (4) of InBr, inBr+.
(2) Barrett, Mandel, PR 1.Q2, 1572 (1958). (9) Hoeft, ZP 1:.2J., 262 (1961).
(J) Barrow, TFS ..2.Q, 952 (1960). (10) Delvigne, de Wijn, JCP !±.2, JJ18 (1966).
(4) Bulewicz, Phillips, Sugden, TFS :iJ..., 921 (1961). (11) Schenk, Tiemann, Hoeft, ZN £2 a, 1827 (1970).
(5) Lakshminarayana, Haranath, IJP 44, 504 (1970). (12) See ref. (6) of InBr, InBr+.
(6) Berkowitz, Dehmer, JCP j]_, Jl94 (1972). (lJ) Tiemann, Hoeft, Tarring, ZN SJ_ a, 869 (1972).
(14) Ashrafunnisa, Rao, Murthy, Rao, Physica 1], 421 (1974).
InC.l, InC.l+:
aFrom thermochemical data and spectroscopic evidence
about the 1 n excited state (6); 4.5 1 eV by flame
photometry (8).

345
 346
State Te w wexe Be ae De re Observed Transitions References
e
(lo-5cm- 1 ) (i) Design. l voo

11s1n •9F µ = 16.3028614 0

D0 = 5.2 5 eVa JAN 1977
Unidentified weak system in emission consisting of two sequences of 45709.1 HQ (2)
R shaded bands; 6G'(t) = 550, AG"(i) = 610. Rand Q heads.
D [47803] Weak system. D~ X, R 47536 H (2)
c ln 42809.2 463.9 HQ 7.35b 0.2674 0.00472 0.036 1.966 C+-+ X,Ry 42772.3 z (1)(3)(10)*
d B+-+X, v 31274.15 z
B Jn
1 31255.74 572.25 HQ 2.6:3° 0.27362 0.00204 (0.025) 1.9440 (1)(2) (J)
Jn + d v 30465. 52 z (1)(2)())
A 0 30445.86 575.2 (Z) 3.676 0.27320 0.00202 (0.025) 1.94.55 A~X,

x li:+ 0 z e
0.26232411 0.001879771 0.0252 1.985396 Microwave sp.f (7)(8)
535.35 2.64
Mol. beam el. res on. g (9)

us1n1H µ = 0.99906241 D~ = 2.48 eVa JAN 1977

Open band structure in absorption from 40000 to 42900 cm- 1 , no prominent heads. (2)
A ln

a Jn
[~+
(22655)
(17800)
16941.61
16278.15
[141.7]
[1300.9]e z
z
l415.1 1 e z 43.5l
1458.5 e Z 61.03
7
.
b

J,
[J.850] 0
5.489ef
d
0.332
5.3996ehijk o.2356h
5.329 eik o.2468m
[389]
[J4.6]
[32.l]h
[27. 7]n
[2.093]
1. 7 53
1.7678
1.7794
I
I
r:x,
22016.9
:R
17780.9
a ~x, Ry 16904.93
~x, Rv 16259.68
z
z
z
z
(4)(5)
(6)
(1)(4)(6)
(1)(6)
o- (16230) [1303.4 2 Je z 5.349e 0.326 [28.1] 0 1.776 -4X,VR 16211.53 z (10)
{Not observed, but suggested (12) as the state responsible for anomalies in the A-type
a' Ji:+
doubling of 3n 1 and for the predissociation of all 3n components.
x li:;+ 0 1476.o4 z ·25.61P I
4.994 k
5
o.142 8q l
22.3r J l.8380

11s1n1H µ = 1. 97940604 n00 = 2.51 ev s JAN 1977

A ln (22600) [178.2] z t [2.096]u v [42.6] [2.016] A+- X, R 22167.1 z ( 5)
w
a Jn
{~+
16933 [950.03] z 2.724j 0,078X [8.2] 1.7682 a {+-X, VR 16922.40 z (5)
(16270) [967.79] z 2.722 0.112 [7.9] 1.769 +- X, V 16273. 99 z (5)
x li:+ 0 1048.24 z 12.37 2.523 0.051 [5.8] 1.8373
InF1 aThermochemical value (mass-spectrom.)(6). Flame photo-
metry gives 5.4 eV (5).
bw e y e = - 0.5. This state may have a potential maximum
of rv0.21 eV (4)(6).
cweye = - 0.095.
dFrom the B' - B" values of ( J) combined with B" from the
microwave spectrum.
er = + 0.00000497·
f e
µe.t.(v=O) = J.40 D (8).
gHyperfine interaction constants.
(1) Welti, Barrow, Nature 168, 161 (1951); PPS A .§2,
629 (1952).
(2) Barrow, Jacquest, Thompson, PPS A .Ql, 528 (1954).
(J) Barrow, Glaser, Zeeman, PPS A 68, 962 (1955).
(4) Barrow, TFS 2§., 952 (1960).
(5) Bulewicz, Phillips, Sugden, TFS 21, 921 (1961).
(6) Murad, Hildenbrand, Main, JCP ~' 263 (1966).
(7) Lovas, Torring, ZN 24 a, 6J4 (1969).
(8) Hoeft, Lovas, Tiemann, Torring, ZN _gj_ a, 1029 (1970).
(9) Hammerle, Van Ausdal, Zorn, JCP 21, 4068 (1972).
(10) Nampoori, Kamalasanan, Patel, JP B ~' 2841 (1975).
In 1 H, In 2H1
aFrom the predissociations in A 1 rr and a Jn.
bt.G(J/2) = 80.8.
CA-type doubling, t.vef(v=O) = + o.0047J(J+l). Breaking off
due to predissociation above J' = 9, 7, 4 in v' = O, 1, 2,
respectively; the limiting curve intersects the ordinate
axis near 22250 cm- 1 above X 1 E(v=0,J=O). A few ad-
ditional diffuse lines have been observed as well as
fragments of an "extra" band; see d.
dB 1 = 1. 915, B2 = 1. 36 3. Dv values are also given ( 4.), but
In1H, In 2H (continued)&
these constants are not sufficient to reproduce the levels
of this perturbed state. Zeeman effect studies (7).
eEffective constants determined by (6)(10). For a more ri-
gorous treatment of the fine structure of aJn see (12).
fPredissociation in v=O above J=26 (Jn-) and 27 (Jn+), in
v=l above J=l7 (Jn+). The break-off points are in agreement
with the limiting curve of dissociation for Jnr (6).
gw y = - lJ.14.
hA~e~age cortstants for Jn~ and Jni; Oe = - 0.056 7 • The A-
type doubling is irregular, see (12), and may be caused by
the unobserved a' JE+ state. Zeeman effect studies (?).
iThe 3rr 1 and 3n 0+ components have nearly identical ~imiting
curves of predissociation; the derived dissociation limit
at 20125 cm- 1 above X 1 E, v=O, J=O, appears to correspond
to a potential maximum at ""J•J .R (6). Possible correla-
tions of the low-lying states of InH with those of the se-
parated atoms have been discussed by (8) and, more recent-
ly, by (12).
jThe hyperfine structure of J=l has been investigated both
experimentally (4)(5)(11) and theoretically (9){1J).
kRKR potential curves (8).
.t.w y - 6.83.
me e
re - o. OJ9o·
nH 0 - J•76x 10-8 IDvl and IHvl increase rapidly with v.
0
H0 - 2.9xl0- 8
Pw e y e + 0.30 •
8
qoe = + o.0012y
rH 0 = + o.46 x lo- 8 •
3
sFrom the value for In 1H and the predissociation in A 1 rr.
tt.G(J/2) = 62.8, t.G(5/2) ~ 51.1.
(continued on p. 349 )

347
 348
State Te w
e w x
e e Be «e De re Observed Transitions References
(lo- 8cm- 1 ) (i) Design. J voo

11s1n 121r µ = 60.303194 DO

0
= 3.4 3 eYa I.P. = 8.50 eYb JAN 1977
c ln Continuum with maximum at 31400 cm- 1 • C~ X, (1)
B JD 25050.5 146.7 H 2.J B~X, Ry 25034.8 HQ (l)*
1
A 3n +
0
lr;+
24401.6 158.5 H 1.7
I A 4.-'t X, VR 24392.0
d
H (l)* (2)*
x 0 177.1 H o.4 0.0368670 0.000104111 0.76 2.75365 Microwave sp. (3)(6)

11s1n 12.11 + DO
0
= 0.7 2 eY e JAN 1977
B (2L:) (27)00)

)
2 (7700)
A ( Ill/2) From the photoelectron spectrum (7).
2 ( 2300)
( n3;2>
x ( 2r;) 0

cus>In u)o (µ = 14.0404485) 2.9 4 eY < D00 ~ J.2 eY a JAN 1977

5
23595.1 626.66 J.40 b A~X,
23557.0 H (l)*
A
23033.1
H Ry 22995.0 H
2r;) b
(X 0 703.09 H J.71C

<11s>r nlu>s (µ = 25.0123666) D0O = 2.9 4 eY a JAN 1977

c11s>I n(111> Sb (µ = 58.9137583) D0O = 1.54 eY a JAN 1977

c11s>1ncso) Se (µ = 47.1342756) D00 = 2.5 0 eY a JAN 1977

c11s>I n (13o>Te (µ = 60.972685) 0

DO = 2.1 9 eY
a JAN 1977
rn 1H, In 2H (continued)1
uA-type doubling, twef(v=O) = + 0.0012J(J+l). Breaking-
off due to predissociation above J'=lJ(v'=O,l),
10(v'=2), 7(v'=J).
vB 1 =1.098, B2 =0.981, BJ= 0.751. Dv values have been
determined (5) but their meaning is limited in view of
the strong perturbations affecting this state. Frag-
ments of three "extra" bands with v"=0,1,2.
w~G(J/2) = 857.42.
xre = - 0.0185.
(1) Grundstrom, ZP 111, 721 (19J9).
(2) Garton, PPS A 64, 509 (1951).
(J) Kleman, Dissertation (Stockholm, 195J).
(4) Neuhaus, ZP 12.Q, 4 (1958).
(5) Neuhaus, ZP 1...2f., 402 (1958).
(6) Ginter, JMS 11, JOl (1963).
(7) Larsson, Neuhaus, AF .fl, 275 (1964).
(8) Ginter, Battino, JCP 42, J222 (1965).
(9) Freed, JCP ~' 1714 (1966).
(10) Ginter, JMS 20, 240 (1966).
(11) Larsson, Neuhaus, jslund, AF Jl, 141 (1968).
(12) Veseth, Lofthus, JMS 12, 414 (1974).
(lJ) Veseth, JMS ..22., 51 (1976).
InI, Inr+,
aBased on thermochemical data and spectroscopic evi-
dence about the 1 n and Jn excited states; see (4).
Flame photometry gives J.J 8 eV (5).
bAdiabatic potential from the photoelectron spectrum
(7); vertical potential 8.82 eV.
coe = + 8 • ox lo -8 •
InI, InI+ (continued)1
dindium and iodine quadrupole coupling constants (6).
eFrom Dg(InI) + I.P.(In) - I.P.(InI).
(1) Wehrli, Miescher, HPA ~' 457 (19JJ); z, 298 (19J4).
(2) Wehrli, HPA 1, 611, 676 (19J4); 2, 587 (19J6).
(J) Barrett, Mandel, PR 1.Q.2, 1572 (1958).
(4) Barrow, TFS ..2.Q, 952 (1960).
(5) Bulewicz, Phillips, Sugden, TFS !iJ..., 921 (1961).
(6) Schenk, Tiemann, Hoeft, ZN~ a, 1827 (1970).
(7) Berkowitz, Dehmer, JCP 22., Jl94 (1972).
In01 aThe lower limit is D 0~InS); the upper limit, also based
on mass-spectrometric evidence, was estimated by (J)(4).
bA satisfactory interpretation of the observed bands is
still lacking; see (1)(2). Preliminary rotational ana-
lysis of two bands by (5).
cweye = - 0.285.
(1) Watson, Shambon, PR 2.Q, 607 (1936).
(2) Howell, PPS 22., J2 (1945).
(J) Burns, De Maria, Drowart, Inghram, JCP ~' lOJ5
(1963).
(4) Colin, Drowart, TFS 64, 2611 (1968).
(5) Jacquinot, Lavendy, CR B 281, 397 (1975).
InS, InSe, InTe 1
aThermochemical value (mass-spectrom.)(l).
(1) See ref. (4) of InO.
InSb1 aThermochemical value (mass-spectrom.)(l).
(1) De Maria, Drowart, Inghram, JCP J.1, 1076 (1959).
349
 350
State Te w we x e Be tXe De re Observed Transitions References
e
(10-7cm- 1 ) (i) Design.
I voo

127116Q µ = 14.20458333 D00 = 1. 8 eva JAN 1977

2 z b c z (l)* (2)*
A n3/2 21557.81 514.57 5.52 0.27635 0.00273 3.2 2.0723 A~Xl' R 21474.05
(J)*
2 (2JJO)d
X2 Il1;2
2 0 z 4.29e O.J4026f o.00269 6g J.6 1.8676 Microwave sp. h (8)
x1 IlJ/2 681.47
EPR sp. (5)(6)
IOa aBased on an extrapolation of the vibrational levels fFrom the microwave spectrum (8) obtained B0 ( 2 n )
312
of A 2 n and on the assumption that A dissociates 0.338804 which agrees well with the value from the elec-
312 1
into 2p + D. Flame photometry (4) gives a value tronic spectrum.
312
of 2.4 eV which seems less likely since it is as high g6e = - 0.000009 7 •
as the value for Bro. The observed predissociation in hMagnetic hyperfine interaction, nuclear quadrupole
A indicates Dg ~ 2.72 eV. Extrapolation of the ground coupling constant.
state gives 1.94 eV (7). (1) Coleman, Gaydon, Vaidya, Nature 162, 108 (1948).
bThe rotational lines of absorption bands with v'=O (2) Durie, Ramsay, CJP J.2, 35 (1958).
and 2 are sharp1 the lines of the 3-0 absorption band (3) Durie, Legay, Ramsay, CJP ]§_, 444 (1960).
are distinctly diffuse, and the 1-0 and 4-0 bands are (4) Phillips, Sugden, TFS j1, 914 (1961).
completely diffuse owing to predissociation (2). (5) Carrington, Dyer, Levy, JCP ,.2g, 309 (1970).
cFranck-Condon factors (9). (6) Brown, Byfleet, Howard, Russell, MP£], 457 (1972).
dEstimated by (6) from spin-orbit coupling of component (7) Trivedi, Gohel, JP B j, L38 (1972).
atoms. (8) Saito, JMS 48, 530 (1973).
ew e y e = - 0.01 • (9) Rao, Rao, Rao, PL A 2.Q, 341 (1974).
3

351
 352
State Te w
e
w x
e e B
e <Xe D
e re Observed Transitions References
(lo-?cm- 1 ) {i) Design. J voo

<193>! r (I l)B (µ = 10.4150834) D00 = 5.2 7 eVa FEB 1975

c193>rr 12c (µ = 11.29743405) °

n0 = 6.45 eva FEB 1975
Two unidentified bands at 15846 and 16504 cm -1 • (3)
L 2~/2 (20940) (810) [o.4812] [6.8] [1. 7609] L~X
1 , R 20816.52b z (2) (3)
2
K Il3/2 19349 [832.7] z 0.5053 0.0051 7.4 1.7184 K~X
1 , R i9236.64b z (2)* (3)
26
E2 3/2 x 2 + (12180) (960) 0.5148 0.0043 [5.9]C 1.7025 :2:2-+X2' R 12145.3d z (3)
~ 26 15149.2 963.9 z 0.5132 0.0040 6.2 1.7052 E1 ~x 1 , R 15100.89d z (3)*
l!.l 5/2 5.44
D 2,7/2 14413.5 935.7 z 5.96 0.5053 0.0038 5.9 1.7184 D~X
1 , R 14350.95d z (3)*
2 x e 5.5
x2 6 3/2 2 (1030) 0.5272 0.0035 1.6824
2 z 0.5268 0.0032
xl 65/2 0 1060.l 4.53 5.2 1. 6830

193Jr16Q µ = 14.7705663 Di= (3.64) eVa FEB 1975

Additional bands at 14338, 14490 cm-l ( 2)' and 17070 cm-l (2)(4). ( 2) (4)
H' (3/2) [ o .J378]b [4.o]b [1.838 1 ] HI-+ AI' R 22005.8cb z (4)
d d H" -+A", R 21869.7C z (4)
H" 5/2 [0.3371] [4.oJ [1. 8400]
D (J/2) a'+ 17720 [672.5] z 0-3534 8 0.0026 [3.2] 1. 7971 D-+ A', R 17602. 72C Z (4)*
A" 5/2f 903.3 z 4.7 o.3867g 0.0024 [2.9] 1. 7180
A' (3/2)f a' 909.1+ z 1+. 7 0.3847 0.0025 3.0 1. 7221+

093)I rc2s> 5i (µ = 21+.1+31+2975) 0

DO = 1+.76 eVa FEB 1975

c1q3>Ir 232Th (µ = 105-352106) 0

D0 = 5.9 eVa FEB 1975
IrB1 aTherrnochemical value (mass-spectrom.)(l). Ir01 aTherrnochemical value, estimated (J) from mass~spec­
(1) Vander Auwera-Mahieu, Peeters, Mcintyre, Drowart, trometric results of (1).
TFS 66, 809 (1970). bOnly one perturbed vibrational level of H' analyzed;
vibrational numbering uncertqin.
IrC1 aTherrnochemical value (mass-spectrom.)(1)(4). cJ'=O relative to J"=O.
bJ'=O relative to J"=O, calculated from the data in (J). dThree additional levels, numbered I, II, and III by
c D = 5. 4 x 10 -7 • (4), have been identified in transitions to A" and
1
dJ'=O relative to J"=O. A different definition of the band may represent v=l, 2, and) of H". With this inter-
origins is used in (J). pretation B1 , ••• , BJ= 0.3307, 0.326, 0.)205, and
ex ~ )200 cm- 1 ; see (J). 6G(l/2, ••• , J/2) = 605.2 Z, 564.6, 544.J.
2
(1) Mcintyre, Vander Auwera-Mahieu, Drowart, TFS 64, ePerturbation in v=O at J=59~.
3006 ( 1968). fA' and A" may be the two components of a 2 6 state.
(2) Jansson, Scullman, Yttermo, CPL±, 188 (1969). gPerturbations.
(J) Jansson, Scullman, J1VIS J.2., 248 (1970). (1) Norman, Staley, Bell, JCP 42, 112) (1965).
(4) Gingerich, CPL _gj, 270 (197)). (2) Raziunas, Macur, Katz, JCP .!±J, 1010 (1965).
(J) Drowart, Goldfinger, AC (Int. Ed. Engl.) Q, 581
(1967).
(4) Jansson, Scullman, JMS !±J., 208 (1972).

IrSi1 aThermochemical value (mass-spectrom.)(l).

(1) See ref. (1) of IrB.

IrTh: aTherrnochemical value (mass-spectrom.)(l).

(1) See ref. (4) of IrC.

353
 354
State w a-e Observed Transitions References
e
Design. I v 00

µ = 19.4818545 D00 = 0.51 4 ev a I.P. = 4.0 eVb JAN 1977 A

Unidentified diffuse emission bands, 17460 - 17840 cm- 1 • (24)
Diffuse bands close to lines of the principal series of K; fragments of additional systems. (5) (7) (8)
G 28091 64.9 c H 0.55 G~ X, R 28077 H (10)
0
F 27571 62.2 c H 0.24 F<+- X, R 27556 H (10)
9d
E 26494. 0 61.8 H 0.28 E+-X, R 26478. H (10)(13)
9
D 24627.7 61.60 H o.9oe D~X, R 24612.3 H (12)
c 1 nu 22969.43 61.485 z 0.133 0.04404 o.00011f 4.433 Ct- X, R 22954. 2 0 Z (1)(12)(15)
1 o.3876g h 4.212 Bi~X, j R 15368.2 0 Z (20)
B nu 15376.74 75.00 0.048763 0.00024 8.25 5
(4) (6)
A lr;+
u
11681.9 69.09 H 0.153 k
A+-+X, R 11670.5 HI (2)(25)
a JE~ Not observed; scattering calculations predict a very shallow potential minimum at rv8.7 i. (27)
x lr;+
g
0 92.021 Z 0.2829.l l 0.056743 o.000165m I 8.63 I 3.9051 Mol. beam magn. reson.n (11) (14) (16)

D 00 = 0 • 8 5 e yO JAN 1977
No spectrum observed. The formation of K(4p) in (K+,K) collisions has been studied by (28)
who have interpreted the magnitude and velocity dependence of the cross section in terms of
properties of the potential curves for the lowest excited states of K2+ o
x 0 {67)P l l l (4.ll)P

µ = 19.728)641 D0= 0.0053 eva JAN 1977

a
Predicted potential energy curves for higher excited states (6).
Continuous emission with maximum at 19672 cm- 1 , shifted by
C-+ X, (10)
{ 1355 cm- 1 from the forbidden K 5s-4s line at 21027 cm-1.

0 } Theoretical interatomic potentials (3). l l 5.2a Mol. beam magn. reson. b (4)(5)(9)
 + K2 , K2+ (continued)2
K2' K2 I
aFrom the convergence limit of B 1 nu. Thermochemical value
[(3), recalc. (6)] 0.56 eV.
bPhotoionization of K2 (21); in agreement with limits (3.57
~ I.P. < 4.11 eV) obtained from chemi-ionization thresh-
olds (17)(19). (15) estimate 4.09 eV.
cAnalysis by (10); not confirmed by (13).
dAverage of the constants obtained by (10)(13).
ew Y = + 0.0010, w ze = - 0.00030; convergence at 25590.
f e e 6 0
Y"e = + 3 x lo-
gw y = + 0.004366, weze
e e
- 0.0001830; vibrational con-
stants for v' < 25 from low-resolution magnetic rotation
spectra. Higher vibrational levels converge rapidly at
17160 cm- 1 above X 1 ~;, v=O. Te is from the analysis of
high-resolution laser-induced fluorescence spectra (20).
hRecalculated by (20) from the data of (4).
iRadiative lifetime ~(v=6,7,8) 12.4 ns (2J);
(22) measured 9.7 ns.
jAbsorption cross sections (18).
kA complex magnetic rotation spectrum has been observed
which may be due to perturbations of A 1 ~~ by an unidenti-
fied Jn state (9).
Lweye = - 0.002055. Vibrational and rotational constants
from the laser-induced B-+ X fluorescence spectrum ( 20).
m_ 7.2x lo- 6 (v+-t) 2 + l.5x io-7(v+!)J. See!.
ngJ = 0.02163 µN {16). For NMR spectrum and potassium eqQ
see (11)(14).
°From ng(K 2 ) + I.P. (K) - I.P. (K 2 ). The experimentally observed
limits (photoionization of potassium vapour) are 0.74 eV<
og < 1.27 eV (19). Theoretical calculations (26) give 1 eV.
PTheoretical calculations (26).
KAr, KAr+a see p.357.
(1) Yamamoto (1929), revised by (2).
(2) Crane, Christy, PR ]Q, 421 (19JO).
(J) Lewis, ZP £2, 786 (1931).
(4) Loomis, PR~' 2153 (1931).
(5) Kuhn, ZP 1§., 782 {1932).
(6) Loomis, Nusbaum, PR J.2., 89 {1932).
(7) Chakraborti, IJP 10, 155 (1935).
(8) Okuda, Nature 1.1§., 168 (1936).
(9) Carroll, PR 2£, 822 (1937).
(10) Yoshinaga, PPMSJ 12., 847, 1073 (1937).
(11) Kusch, Millman, Rabi, PR ..22, 1176 (1939).
(12) Sinha, PPS 60, 436 (1948).
(lJ) Sinha, PPS A .2.J, 952 (1950).
(14) Log~n, Cote, Kusch, PR 86, 280 (1952).
(15) Robertson, Barrow, PCS (1961), 329.
(16) Brooks 9 Anderson, Ramsey, PRL 10, 441 (1963); PR A
.!J.Q, 62 ( 1964).
(17) Lee, Mahan, JCP 42, 2893 (1965).
( 18) Lapp, -Harris 9 JQSRT .£, 169 ( 1966) •
(19) Williams, JCP !±J., 4281 (1967).
(20) Tango, Link, Zare, JCP ~' 4264 (1968).
(21) Foster, Leckenby, Robbins, JP B ~' 478 (1969).
(22) Baumgartner, Demtroder, Stock, ZP ~' 462 (1970).
(23) Tango, Zare, JCP .iJ., 3094 (1970).
(24) Rebbeck, Vaughan, JP B ~' 258 (1971).
(25) Sorokin, Lankard, JCP jj, 3810 (1971).
(26) Bellomonte, Cavaliere, Ferrante, JCP 61, 3225 (1974).
(27) Geittner, ZP A 1Z_g, 359 (1975).
(28) Aquilanti, Casavecchia, JCP 64, 751 (1976).
355
 356
State Te w wexe Be Observed Transitions References
e
Design. J v 00

ca9>K1t-0Ar- + DO= 0.12 eV c

e 2 JAN 1977 A
lr;+
x
l l
39K79Br µ = 26.0849820 0
DO = J.91 eva I.P. = 7.8
5
eV b JAN 1977
Two peaks in the electron energy loss spectrum at 19.7 and 23.7 eV (lJ) may be associated
with excitation of an electron from the metal Jp shell of K+Br-. I
Continuous absorption above 31000 cm- 1 , maxima at 36000, J9JOO, 47600 cm-l.c (1)(4)

~!~f~::m;~::~~:!::n::n:::c~!~~O(~a~~O~~.::-:~dflame) consists of a ~o~;:;ound-state vi- )

A
(2)(3)(4)(5)
1
brational progression stretching from 17500 to 31500 cm- , the onsets and cutoffs depen- (15)(16)
ding on the prevailing conditions of the experiment.ct
0 (0.80) 0.08122109 2.82078 Rotation-vibration sp. (7)
Rotation sp. (6)(10)
Mol. beam rf el. re son. h ( 12) ( 14)

C39>KC79>Br +
D a) (137300~ j }
Removal of an electron from the metal Jp shell.
c <ht) 134700J
(!) 3900j
A
x <t,~) oj } Removal of an electron from the halogen 4p shell.
KAr, KAr+:
aBased on atomic scattering data (1)(2)(8). The ground
state potential supports nine vibrational levels (9).
bThe spin-rotation interaction [ (v=0) = 8.0xlo- 6 ] (4)(9)
0
as well as the hyperfine interaction (5) have been inves-
tigated.
cFrom K+-off-Ar total scattering cross sections (7); re-
ferences to earlier experimental and theoretical work
may be found in this paper.
(1) Buck, Pauly, ZP 208, 390 (1968).
(2) Duren, Raabe, Schlier, ZP 214, 410 (1968).
(3) Baylis, JCP ..21,, 2665 (1969).
(4) Mattison, Pritchard, Kleppner, PRL ~' 507 (1974).
(5) Freeman, Mattison, Pritchard, Kleppner, PRL JJ, 397
(1974).
(6) Pascale, Vandeplanque, JCP 60, 2278 (1974).
(7) Budenholzer, Galante, Gislason, Jorgensen, CPL JJ.,
245 (1975).
(8) Fluendy, Kerr, Lawley, McCall, JP B ~' Ll90 (1975).
(9) Freeman, Mattison, Pritchard, Kleppner, JCP 64, 1194
(1976).
(10) Tam, Moe, Bulos, Happer, OC 16, 376 (1976).
KBr, KBr+:
aThermochemical value (8)(9); from the analysis of the
fluctuation bands in the UV absorption spectrum (4) and
(5) estimate 3.96 and 6 4.10 eV, respectively.
bAdiabatic potential from the photoelectron spectrum (17),
not corrected for thermal population of the ground state
vibrational levels; vertical potential 8.34 eV.
cAbsorption cross sections (11). The electron energy loss
spectrum (13) has peaks at 37000, 52000, 63000 cm- 1 •
KBr, KBr+ (continued):
dSee d of CsBr. From the emission data (16) have constructed
a tentative upper-state potential energy curve which is,
however, dependent on the model potential used for the
ground state.
eFrom the IR spectrum. The Dunham theory applied to the mi-
crowave results gives we= 219.17, wexe = 0.758 (10).
fte = + 7.7x lo- 7 •
g
foe = - 0. 0002 x 10 -8 •
hµe![D] = 10.60256 + o.0504 (v+!) + 0.00015(v+~) (12)(14);
2
5
nuclear quadrupole and spin-rotation constants in (14), see
also ( 6).
~From D0°(KBr) + I.P.(K)- I.P.(KBr); (17) give 0.33 ev.
JFrom the maxima of the photoelectron spectrum ( 17) ( 18).
(1) Muller, AP(Leipzig) 82, 39 (1927).
(2) Beutler, Josephy, ZP 2J., 747 (1929).
(3) Sommermeyer, ZP ..2..Q, 548 (1929).
(4) Levi, Dissertation (Berlin, 1934).
(5) Barrow, Gaunt, PRS A ..?.12, 120 (1953).
(6) Fabricand, Carlson, Lee, Rabi, PR .2.J:, 1403 (1953).
(7) Rice, Klemperer, JCP _gz, 573 (1957).
(8) Brewer, Brackett, CRev 61, 425 (1961).
(9) Bulewicz, Phillips, Sugden, TFS ..21, 921 (1961).
(10) Rusk, Gordy, PR fil, 817 (1962).
(11) Davidovits, Brodhead, JCP 46, 2968 (1967).
(12) van Wachem, de Leeuw, Dymanus, JCP !±1, 2256 (1967).
(13) Geiger, Pfeiffer, ZP 208, 105 (1968).
(14) de Leeuw, van Wachem, Dymanus, JCP jQ, 1393 (1969).
(15) Oldenborg, Gole, Zare, JCP 60, 4032 (1974).
(16) Kaufmann, Kinsey, Palmer, Tewarson, JCP 61, 1865 (1974).
(17) Potts, Williams, Price, PRS A J:t.1., 147 (1974).
(18) Potts, Williams, JCS FT II .z_g, 1892 (1976).

357
 358
State w wexe Be ae De re Observed Transitions References
e
(lo-7cm- 1 ) (i) Design. } v 00

0 b
µ = 18.4291764 Do = 4.34 eVa I.P. = 8.44 eV JAN 1977
Several peaks in the electron energy loss spectrum above 19 eV (13) may be associated with
excitation of an electron from the metal 3P shell of K+Ci-. I
Continuous absorption above 36000 cm-1 , maxima at 40100, 41100 cm-l.c (l)(J)(ll)

A Diffuse fluctuation bands in absorption from 30000 to 36000 cm- 1 • d A~ X I )

The chemiluminescence spectrum consists of a long lower-state vibrational progression ex- (2) (3)(15)
tending from 17000 to 24000 cm- 1 in a beam-gas arrangement (15) and from 20000 to 36000 in (16)
flames {2)(3)(16).d
0 (1.30) 0.12863476 2.66665 Rot.-vibr. sp.h (7)
Rotation sp. (5) (6) (10)
Mol. beam rf. el. reson. i (12)(14)

(39lKC3slCl + JAN 1977

D (!) (131500)k } Removal of an electron from the metal 3P shell.
c (f,!) 129500k
A (~)
x (f,t)
} ok Removal of an electron from the halogen 3P shell.

C39>K 133Cs (µ = 30.1304153) JAN 1977

Diffuse absorption band at 18558 cm- 1 • (1)
lI:+ J
x 0 (66.2)a
l
39K '9F µ = 12.7712442 JAN 1977
The electron energy loss spectrum (16) has peaks at 6.8, 8.5, 9.6 and 18.4, 22.5, 23.8, 24.9 eV.
KC1., KC1.+: KC!, KC!+ (continued)s
aThermochemical value (8)(9)r the analysis of the fluc- (6) Tate, Strandberg, JCP 22, 1380 (1954).
°
tuation bands gave D0 = 4.J9 eV (and w" = 280) according (7) Rice, Klemperer, JCP _gz, 573 (1957).
to (J) or Dg 6 4.66 eV (and w" = J05) according to (4). (8) Brewer, Brackett, CRev 61, 425 (1961).
bAdiabatic potential from the photoelectron spectrum of (9) Bulewicz, Phillips, Sugden, TFS .22, 921 (1961).
(17), not corrected for thermal population of ground (10) Clouser, Gordy, PR A~' 863 (1964).
state vibrational levels; the band maximum (vertical po- (11) Davidovits, Brodhead, JCP 46, 2968 (1967).
tential) is at 8.92 eV. (12) van Wachem, Dymanus, JCP 46, 3749 (1967).
cUV absorption cross sections (11). In the electron energy (13) Geiger, Pfeiffer, ZP 208, 105 (1968).
loss spectrum (lJ) there are peaks at 42000, 5JOOO, and (14) Hebert, Lovas, Melendres, Hollowell, Story, Street,
68000 cm-1 • JCP 48,2824 (1968).
dsee d of CsBr. From the emission data (16) have derived (15) Oldenborg, Gole, Zara, JCP 60, 4032 (1974).
a tentative potential energy curve for the upper state (16) Kaufmann, Kinsey, Palmer, Tewarson, JCP 61, 1865
(seed of KBr); D~ ~ 450 cm- 1 • (1974).
eFrom the IR spectrumo The Dunham theory applied to the (17) Potts, Williams, Price, PRS A 111, 147 (1974).
microwave results gives we = 279.8 0 , wexe = 10167. (18) Ismail, Hauge, Margrave, JMS 2±., 402 (1975).
f
K'e = + 1. 6 J x 10 -6 • (19) Potts, Williams, JCS FT I I .z.g_, 1892 (1976).
gA
IJe = -
8 • J X 10 -11 •
hIR study of matrix isolated KCL (18). KCsc ainterpolated values based on the constants for K2 and
iµet[D] = l0.2J9 1 + o.0596 6 (v+i) + o.00019(v+i) 2 (12)(14)g Cs 2 (2)o
nuclear electric quadrupole and spin-rotation coupling (1) Walter, Barratt, PRS A !12., 257 (1928).
constants (12)e (2) Cavaliere, Ferrante, Lo Cascio, JCP 62, 4753 (1975).
jFrom Dg(KCJ.)+I.P ..(K)-I.P.(KCL)s (17) give 0.19 eV.
kFrom the maxima in the photoelec tron spectrum ( 17) ( 19) • KF1 ~herrnochemical value (6)(7); an upper limit, ng~5.28 eV,
The two peaks corresponding to the 2P and 2P com- was derived (3) from the analysis of the fluctuation
312 112 bands.
ponents of normal Ct are not resolved.
(1) Mdller, AP(Leipzig) 82, J9 (1927). (continued on p. J61 )
(2) Beutler, Josephy, ZP ,il, 747 (1929).
(J) Levi, Dissertation (Berlin, 1934).
(4) Barrow, Caunt, PRS A £12, 120 (1953).
(5) Lee, Fabricand, Carlson, Rabi, PR 2!, 1395 (195J).

359
 360
State w w x
e e Observed Transitions References
e
Design. l v 00

39
K19 F (continued)
Fluctuation bands, J4JOO - 46700 cm-1 (absorption). A~X (3)
0 428b (2.4) 0.27993741 2.335038 c o.o48J4d 2.17145 Rot.-vibr. sp.e (9)(12)
3 7
x lo-3 Rotation sp. (2)(5)(10)
(17)
Mol. beam rf electricf (13)(14)(15)
and magn. reson.g (11)

39K'H µ = 0.98241434 ° 1
0 = (1.8 6 ) eV [extrapol. of A r:]
D JAN 1977
Theoretical potential energy curves, coupling between molecular states (8).
Fluctuating continuum in emission, 25000 - 33000 cm-1 • (J)
lr;+ a b Ac~x, R 18680. z
A 19052.8 228.2 z -5.75 1.269 -0.0375 9·5 3.68 1 (1)(2)(5)(6)
x lr:+ 0 983.6 z 14.32 J.4123 0.081 15.3 2.2425
7

39K1H µ = 1.91510699 0
D0 = (1.8 )
9
ev JAN 1977
e
161 z 0.659 -0.0127 3.65 A~X, R 18790 z (4)(6)
706.6 z 1.7539 0.0318 2.2403

µ = 29.8108348 JAN 1977

Features in the electron energy loss spectrum (12)(22) at ......3.8, 4.7, 5.1 eV correspond to
maxima in the absorption spectrum. Peaks at higher energies could indicate that KI absorbs
strongly in the VUV region; structure above 19 eV may arise from excitation of a metal 3P
electron. I
Continuous absorptionc above 26500 cm-1 , maxima at 30800, J8400, 41700d cm-1 • (1)(4)(11)
I
KF (continued)1 K1H, K2H1
bFrom the IR spectrum (9)(12). (10), applying the Dunham aweye = - 0.169. The tiG(v+!) curve has a maximum at v~ 11.
theory to the microwave results, calculate we = 426.o 4 bfe = - 0.0023 2 • The Bv curve has a maximum at v~ 7.
and wexe = 2.43. cRadiative lifetime T < 10 ns (7).
ct = + 6.96 3 x lo- 6 dweye = - 0.07 2 • The tiG(v+~) curve has a maximum at v~ 16.
d e
f>e = - 2 x 10-10. efe = - 0.00057° The Bv curve has a maximum at v~ll.
eIR spectrum of matrix isolated KF (18).
(1) Almy, Hause, PR 42, 242 (1932).
fµet[D] = 8.5583 + o.o684l(v+~) + o.000256(v+!) 2 (8)(15), (2) Hori, Mem. Ryojun Coll. Engng. §, 1 (1933).
electric quadrupole and other hyperfine coupling con-
(3) Hori, Mem. Ryojun Coll. Engng. §, 115 (1933).
stants (4)(13)(14); see also (2)(5). (4) Imanishi, Sci. Pap. IPCR (Tokyo) J..2., 45 (1941).
ggJ = (-)0.036 4 µN (11). (5) Almy, Beiler, PR 61, 476 (1942).
(1) Milller, AP(Leipzig) 82, 39 (1927). (6) Bartky, JMS 20, 299 (1966).
(2) Grabner, Hughes, PR l.2, 819 (1950). (7) Cruse, Zare, JCP 60, 1182 (1974).
(3) Barrow, Caunt, PRS A~' 120 (1953). (8) Numrich, Truhlar, JPC l.2, 2745 (1975).
(4) Schlier, ZP 1.!±1., 600 (1957).
(5) Green, Lew, CJP 1.§., 482 (1960). KI1 aThermochemical value (8)1 flame photometry (9) gives
(6) Brewer, Brackett, CRev 61, 425 (1961). 3.4 eV. Earlier spectroscopic estimates were 3.31 eV (4)
9
(7) Bulewicz, Phillips, Sugden, TFS ...27., 921 (1961). and :f 3.47 eV (6).
(8) Graff, Runolfsson, ZP 11_Q, 90 (1963). bAdiabatic potential from the photoelectron spectrum (19),
(9) Ritchie. Lew, CJP 42, 43 (1964). not corrected for thermal population of ground state vi-
(10) Veazey, Gordy, PR A 11§., 1303 (1965). brational levels; band maximum (vertical potential) at
(11) Mehran, Brooks, Ramsey, PR 141, 93 (1966). 7.68 eV.
(12) Baikov, Vasilevskii, OS(Engl. Transl.) 22, 198 (1967). cAbsorption cross sections (11). A preliminary measurement
(13) Bonczyk, Hughes, PR 161, 15 (1967). of the photodissociation product anisotropy by photo-
(14) van Wachem, Dymanus, JCP 46, 3749 (1967). fragment spectroscopy at 28800 cm- 1 (18) indicates strong
(15) van Wachem, de Leeuw, Dymanus, JCP !±1, 2256 (1967). contributions from perpendicular transitions.
(16) Geiger, Pfeiffer, ZP 208, 105 (1968). dPhotodissociation produces K(4p 2P); similarly, photodis-
(17) Dijkerman, Flegel, Graff, Monter, ZN Z:J_ a, 100 (1972). sociation at 52600 cm- 1 leads to K(5p 2P) (17).
(18) Ismail, Hauge, Margrave, JINC J..2., 3201 (1973). (continued on p. 363 )

361
 362
State w
e
Observed Transitions References
Design. v 00

39
K1271 (continued)
(26620) This is one of five very shallow states (O+,o-,1,1,2)e arising from normal atomic products
K(
2
s 112 )+ I( 2P 312 ). The analysis of K-off-I differential elastic scattering measurements
(14) suggests that only o+ (De ~ 150 cm- 1 , re ~ 3.85 i) is favorably situated for tran-
sitions from the ground state. Accordingly, (15) have analyzed the fluctuation bands ob-
served in absorption from 19600 to 27000 cm- 1 (3)(4} and in chemiluminescence! from 16300
to 26200 cm-1 (4)(15)(16) in terms of the A~X transition, assigning vibrational quantum
numbers v" from 2 to 64, and constructing an accurate potential curve for the excited state.
x lE+ 0 186.53g 0.574 l 0.06087473 0.000267761 2.5934 i l 3.047844 Rotation spectrumj (7)(10)

C39>K 111r + D0
0
= 0.44 eV
k
JAN 1977
D (i) (14)700)t } Removal of an electron from the metal Jp shell.
c Ct·i) 1408001.
A {i)
x <t,i)
79001.
01. } Removal of an electron from the halogen 5p shell.

<39> Ken> Kr (µ = 26.6083236) D~ = o. 0089 eva JAN 1977

c 2E Continuous emission with maximum at 19530 cm-1 , shifted by1497 cm-1 C-+X (4}
from the forbidden K 5s-4s line at 21027 cm- 1 •
2E

}
B
A 2Il Theoretical interatomic potentials (3).
x 2E+ 0
KI, KI+ (continued)&
eA differential scattering experiment investigating the col-
lisional depolarization of polarized K atoms (20) leads to
the conclusion that J,J coupling would provide the most
adequate description of these states.
fThe actual onset and cutoff wavelengths depend on the experi-
mental conditions: a beam-gas arrangement (16) or flames
( 4)(15).
gFrom the microwave results by use of Dunham's theory.
~re = + J.88 x 10-7.
1 A
.'Je = + 4x10-12.
JQuadrupole hyperfine structure (lJ). The dipole moment
µel = l0.8 2 D was measured by the electric deflection
method (2J); see also (5).
kFrom Dg(KI) + I.P. (K) - I.P. (KI); (19) give 0.37 eV.
!From band maxima of the photoelectron spectrum (19)(21).
(1) Muller, AP(Leipzig) 82, J9 (1927).
(2) Beutler, Josephy, ZP .2J, 747 (1929).
(J) Sommermeyer, ZP ...2£, 548 (1929).
(4) Levi, Dissertation (Berlin, 19J4).
(5) Rodebush, Murray, Bixler, JCP ~' J72 (19J6).
(6) Barrow, Caunt, PRS A El2,, 120 (195J).
(7) Honig, Mandel, Stitch, Townes, PR .2.§., 629 (1954).
(8) Brewer, Brackett, CRev 61, 425 (1961).
(9) Bulewicz, Phillips, Sugden, TFS iz, 921 (1961).
(10) Rusk, Gordy, PR _lgl, 817 (1962).
KI, KI+ (continued)1
(11) Davidovits, Brodhead, JCP 46, 2968 (1967).
(12) Geiger, Pfeiffer, ZP 208, 105 (1968).
(13) Tiemann, El Ali, Hoeft, Tarring, ZN 28 a, 1058
(197J).
(14) Kaufmann, Lawter, Kinsey, JCP 60, 4016 (1974) •.
(15) Kaufmann, Kinsey, Palmer, Tewarson, JCP 60, 4023
(1974).
(16) Oldenborg, Gole, Zare, JCP 60, 40)2 (1974).
(17) Earl, Herm, JCP 60, 4568 (1974).
(18) Ormerod, Powers, Rose, JCP 60, 5109 (1974) •
(19) Potts, Williams, Price, PRS A J.i!, 147 (1974).
(20) Carter, Pritchard, JCP 62, 927 (1975).
(21) Potts, Williams, JCS FT II .z.g_, 189? (1976).
(22) Rudge, Trajmar, Williams, PR A !J, 2074 (1976).
(23) Story, Hebert, JCP 64, 855 (1976).
KKr1 aFrom atomic scattering data (1)(2)
(1) Buck, Pauly, ZP 208, 390 (1968) •.
(2) Dftren, Raabe, Schlier, ZP 214, 410 (1968).
(J) Baylis, JCP ..21, 2665 (1969).
(4) Tam, Moe, Bulos, Happer, OC 16, J76 (1976).
363
 364
State Te w
e Observed Transitions References
Design. I v 00

<s9>K 160 (µ = ll.JJ982564) JAN 1977

A 2n (J47)a (442)a
x 2x;+ Oa (J84)b

C39lK'f,0 + Do0( K+ -0) = 0.2 eV

c JAN 1977

CM·>Kr 2 n0o = 0.0157 ev a APR 1977 A

Several emission continua in the near infrared, visible, and ultra- (2)(11)
violet; interpretation doubtful.
Four unclassified band systems, 92530 - 94 200 cm -1 ; 6
the upper states are probably derived from the configuration 4p 1s + 4p 5 ( 2 P~)5p. (7)

(86000) Probably a repulsive state; several diffuse bands shortward of the ~

D (lu) second resonance line (upper state 5s'[~]lu) at 1165 i (85848 cm- 1 ). D~X, (7)*

c (O+) 85522.0 H Band system converging to 1s + 5s'[?!]l ; v 8 55 Jl.5 H (7)*

u 4J.Jl 1.74 v"=0 ••• 9, v'=0 ••• 5. u C+-X,
Additional unclassified absorption bands shortward of the first
resonance line (upper state 5s[i]lu) at 12J6 ~ (80918 cm-1); 80927 - 81001 cm- 1 • (7)

B (O+) (80006) [So.a]c H B~nd system ?onverging ~o 1s + 5s[f]lu; B~X, v 80035 c H (7)*
u v = 0 ••• 9 ' v = ( 0 ••• 12 ) •

A (lu) (79613) Band system converging to 1s + 5s[f]2u1 H (7)*

v" = 1 ••• 7, v • = ( O••• .5) c.
Continuous emission with two maxima usually referred to as the
"first continuum" closer to the first resonance line at 12J6 .A A,B-7X,e (l)*
(80918 cm-1) and the "second continuum" at 1470 Jl (68000 cm-l).
x lx;+g 0 24.1 8 H l.J4f l J l 4.o 3g

Cslf.>Kr2 + (µ = 41.9.5.56155) APR 1977 A

Some excited states have been qualitatively discussed by (lOa).
x (2E+)
u 0 j J J
(2.6) [estimated value (9a)]
KO, K0+1
aAb initio calculation by (4). The relative position of
the two states is in accordance with results of a mag-
netic deflection analysis of M+ N0 2 scattering products
(M =alkali metal) by (1).
bFundamental in solid nitrogen matrix (2); the ab initio
value is we= 467 cm- 1 (4).
cFrom a merging beam study of the reaction CO+(K,C)KO+ (3).
(1) Herm, Herschbach, JCP 2.f, 5783 (1970).
(2) Spiker, Andrews, JCP ..2Q, 713 (1973).
(3) Rol, Entemann, Wendell, JCP 61, 2050 (1974).
(4) So, Richards, CPL]£, 227 (1975).
Kr 2 , Kr 2+ 1
aFrom the absorption spectrum (7). Various other methods,
reviewed in (7), agree well with the spectroscopic value;
see also g•
bFrom photoionization studies (14); see also the earlier
work of ( J) ( 4) •
cThe v• numbering assumes that the lowest observed level
has v'=O which may, however, not be the case.
dA fairly strong diffuse R shaded band (called "spectral
demarcation") at 79923 cm-1 is considered to belong to
the same electronic transition (7).
eThe emission is attributed to transitions from the lowest
excited states A J Lu
+( lu ) and B 1 Lu
+( Ou
+) to the repulsive
part of the ground state potential; for a detailed dis-
cussion of the analogous spectrum of Xe 2 see (4a). The
"second continuum" was recently observed in emission from
high-pressure krypton excited by high-current short-dura-
tion electron bursts from a Febetron source (12) and was
found to be characterized by three radiative decay con-
Kr 2 , Kr 2+ (continued)1
stants of 9, 32, J50 ns. Similar excitation (10) produces
"long-lived" (T= 353 ns) molecular species which absorb at
10100, 10160, 10250, 10350 cm-1 • The 1470 R emission was
also observed from Kr 2 in a neon matrix excited by o<. par-
ticles ( 6).
fweye = + 0.022; vibrational levels observed to v=9.
gFrom viscosity data, virial coefficients (9) and collision
cross sections (5). More recently, (8) have derived re=
4.007 R and De = 0.0174 eV from a combination of all avai-
lable data; see also (13).
hD 0°(Kr 2 ) + I.P. (Kr) - I.P. (Kr 2 ). From elastic scattering of
Kr+ by Kr (9a) obtain De = 1.21 eV.
(1) Tanaka, JOSA 12, 710 (1955).
(2) Herman, Herman, Nature 12..2, 1086 (1962).
(3) Huffman, Katayama, JCP 12, 138 (1966).
(4) Samson, Cairns, JOSA ..2§., 1140 (1966).
(4a)Mulliken, JCP 2.f, 5170 (1970).
(5) Buck, Dondi, Valbusa, Klein, Scoles, PR A~' 2409 (1973).
(6) Gedanken, Raz, Jortner, JCP j,2, 1630 (1973).
(7) Tanaka, Yoshino, Freeman, JCP j,2, 5160 (1973).
(8) Barker, Watts, Lee, Schafer, Lee, JCP 61, J081 (1974).
(9) Gough, Smith, Maitland, MP 2:1_, 867 (1974).
(9a)Mittmann, Weise, ZN _g_2 a, 400 (1974).
(10) Oka, Rao, Redpath, Firestone, JCP 61, 4740 (1974).
(lOa)Barr, Dee, Gilmore, JQSRT .l,2, 625 (1975).
(11) Birot, Brunet, Galy, Millet, Teyssier, JCP .2.J, 1469
(1975).
(12) Koehler, Ferderber, Redhead, Ebert, PR A 12, 968 (1975).
(lJ) Nain, Aziz, Jain, Saxena, JCP .£.2, 3242 (1976).
(14) Ng, Trevor, Mahan, Lee, JCP 66, 446 (1977).
365
 366
State T
e w
e Observed Transitions References
Design. 1 v 00

(39> Kcss)Rb {µ = 26.7080933} JAN 1977

Diffuse absorption band at 20160 cm- 1 • (1)
x 12:+ C75.5>a J l
(slf->Kr<19>Br (µ = 40.6691804) APR 1977
-1 a
B (48130) (166) Broad diffuse peaks, principal peak at 48440 cm • B4X, (1)
x 0 Repulsive state with rather flat potential function.

cs1t> KrC3s>ct (µ = 24.6827076} APR 1977

D D4X, 50250 (2)
B (44890) (210) Broad diffuse peaks, principal peak at 45350 cm- 1 .a B-?X, 45040 (1)(2)
x 0 Repulsive state with very flat potential function.

cs,,.> Kr i9 F (µ = 15.4910711) APR 1977

E ( 2E) (71500)a (608)a Rydberg state arisingb from Kr(3p) +F( 2P). (l.8J)a
D ( 2n} ~ (48000}a {J56)a Ionic state arisingb from Kr+( 2P..i.) + F-. (2.47)a D4X, c 45J40 (8)(12)
2
c (2Il) A
l
B (2E) fa
(42800)a
40840 d
(J49)a
)10 d } Ionic states arisingb from Kr+( 2Pi) +F-. e
2
(2.44)a
(2.27)f B-?X,g 40230 (4) (5) (6)
(10)
A (2Il) Repulsive state (11).
x ( 22:) 0 Repulsive state with rather flat potential function ()) (10) (11). ESR spectrumh (1)

<nl Kr '9F + ng ~ 1.58 evi APR 1977

(62l)j (8.J)j l (0.355)j (0.0044)j I
KRba ainterpolated values based on the constants for K2 and
Rb 2 ( 2).
(1) Walter, Barratt, PRS A 112., 257 (1928).
(2) Cavaliere, Ferrante, Lo Cascio, JCP 62, 4753 (1975).
KrBr, KrC.t.s
ain emission from low-pressure (0.5- 5 torr) reactions
of metastable Kr atoms with Br 2 or CH 2Br2 , c.t. 2 or cct. 4
(1). The KrCL bands were also observed in electron-
beam-excited mixtures of Ar and Kr+ct. 2 (2). The upper
states are ionic states arising from Kr++ Br- or ct.-
although the adiabatic dissociation products are Kr(3P 2 )
+ Br or Ct; the dissociation energies can be estimated
as 3.93 eV for KrBr and 4.33 eV for KrCJ. and are very
similar to those of the ground states of RbBr and RbCt..
(1) Golde, JMS 2§., 261 (1975).
(2) Murray, Powell, APL~' 252 (1976).
KrF, KrF+s
~heoretical calculations of (11). Te relative to the
Kr( 1s)+F( 2P 3 ) limit. For the D state a vibrational
frequency ofT~336 was observed in argon matrices (9).
bin the diabatic sense.
cin reactions of metastable Kr atoms with small fluorine
containing molecules (8) and from electron-beam-excited
mixtures of Ar and Kr + NF J (12) • Also in absorption of
matrix isolated KrF (7)(9).
dFrom the analysis through trial-and-error theoretical
simulations of the structured continuum observed at mo-
derate to high pressures (10). An earlier interpretation
(5) of the much broader peaks observed at low pressure
KrF, KrF+ (continued)•
lead to we ~ 280 cm-1 • The theoretical calculations of ( 11)
give J41 cm-1. In neon and argon matrices we~ 340 and 315,
respectively (9).
eThe B state dissociates adiabatically to Kr( 3p 2 ) + F; De) ~
4.85 eV is very similar to the ground state dissociation
energy of RbF.
fEstimated value used by (10) in the analysis of the struc-
tured continuum. The theoretical value (11) is 2.51 ~.
gin emission from electron-beam-excited mixtures of Ar and
Kr+ F 2 at moderate to high pressures. The low-pressure
spectrum observed in reactions of metastable Kr atoms with
F2 or N2F4 (5) may also contain contributions from C~X.
Also observed in matrix absorption (7)(9).
hObserved in (-irradiated KrF 4 at low temperature (77 K)
confirming that the ground state is 2E. KrF seems to be
stabilized in the solid.
iFrom mass-spectrometric studies (2); ab initio calculations
.(3) yield Dg = 1.90 eV.
JTheoretical values (3); no spectroscopic data available.
(1) Falconer, Morton, Streng, JCP 41, 902 (1964).
(2) Berkowitz, Chupka, CPL z, 447 (1970).
(3) Liu, Schaefer, JCP ,i2, 2369 (1971).
(4) Brau, Ewing, JCP .2.J., 4640 (1975).
(5) Golde, JMS 2§., 261 (1975).
(6) Tisone, Hays, Hoffman, OC Jj, 188 (1975).
(7) Ault, Andrews, JCP 64, 3075 (1976).
(8) Velazco, Kolts, Setser, JCP 2.5,, J468 (1976).
(9) Ault, Andrews, JCP 2.5,, 4192 (1976).
(10) Tellinghuisen, Hays, Hoffman, Tisone, JCP .22, 4473 (1976).
(11) Dunning, Hay, APL 28, 649 (1976).
(12) Murray, Powell, APL £2, 252 (1976).
367
 368
State w we x e Observed Transitions References
l
e
Design. v 00

<3 '+->Kr 1H+ APR 1977 A

(µ = lJ.43414559) APR 1977 A

Emission band near 5577 R (17925 cm- 1 ), shaded to the violet and
assigned to a KrO van der Waals molecule with O in the 1s 0 or 1D2 (l)* (2)
metastable states.

cs""> Kr C132>Xe (µ = 51.285788 )

3
D~= 0.0197 eva APR 1977 A
°
D0 = o. 0184 evb
Emission continuum with maximum at 1540 R (64900 cm- 1 ), presumably
corresponding to transitions from the lowest excited state(s) to (5)
the repulsive part of the ground state potential.

Cs 4 >Kr <131>Xe + APR 1977

Violet shaded emission system extending from 20300 to 21700 cm-1
with several diffuse maxima between 20400 and 20800 cm- 1 , observed
in the luminescence resulting from bombardment of KrjXe mixtures (1)(2)*
by fast electrons, and assigned by (4) as a charge-transfer spec-
trum of KrXe+ similar to the spectra of HeNe+ etc ••
 State Te w
e wexe Be ae De re Observed Transitions References
(10- cm-1 ) (~) Design.
J voo

<39 >KC1 31 )Xe (µ = 30.0786526) 0

De = 0.0138 eVa JAN 1977
Continuous emission with maximum at 19207 cm-1 , shifted by
c 2E c~x, (J)
1820 cm-1 from the forbidden K .5s - 4s line at 21027 cm-1 •
B 22:
A 2n
x 22:+ } Interatomic potential calculations (2).
5.2a

KrH+s 8From a study of the proton transfer reaction H; +Kr KrXe, KrXe + 1
KrH++H2' and based onD 0 (H 2 -H+) (J). From elastic 8From the "excess properties" of Kr - Xe mixtures ( J).
scattering of protons by Kr (1) and (2) have derived
bTheoretical values (6), calculated from the potential
De = 4.60 and 4.45 eV, resp •• of ( J).
bAverage value obtained from proton scattering (1)(2).
(1) Friedl, ZN 14 a, 848 (1959)1 12 a, J98 (1960).
(1) Rich, Bobbio, Champion, Doverspike, PR A 1, 225J (2) See ref. (2) of KrO.
(1971). (J) Lee, Henderson, Barker, MP £2, 429 (197.5).
(2) Weise, Mittman, Ding, Henglein, ZN 26 a, 1122 (1971). (4) Tanaka, Yoshino, Freeman, JCP 62, 4484 (1975).
(J) Payzant, Schiff, Bohme, JCP £1, 149 (1975).
(5) Verkhovtseva, Ovechkin, Fogel, CPL J.Q, 120 (1975).
Kr01 (1) Cooper, Cobb, Tolnas, JMS 1, 223 (1961). (6) Bobetic, Barker, JCP 64, 2367 (1976).
(2) Kugler, AP(Leipzig) (7) 14, 137 (1964). KXe1 aFrom atomic scattering data (1).
(1) Buck, Pauly, ZP 208, J90 (1968).
(2) Baylis, JCP j!, 2665 (1969).
(J) Tam, Moe, Bulos, Happer, OC 16, 376 (1976).

369
 370·
State w Observed Transitions References
e
Design. 1 v 00

139 La. 2. µ = 69.45J202 FEB 1975

Narrow V shaded bands in emission from a King furnace, tentatively attributed to La 2 and
assigned to three sequences in the region 16400 - 16600 cm-1 • (2)

µ = 16.7126010 FEB 1975

Emission spectra attributed to LaF1
three systems of V shaded bands (P and Q heads)
ve = J0188.9, w~ = 674.7, w~x~ = 2.35, w~ = 603.8, w~x~ = 1.96, (3)
30076.4 682.4 2.28 607.1 1.88, (1)
28468 657 1.1 607 1.8; (1)
one system of R shaded bands in the region 27500 - 28200 cm-1 • (1)
Absorption spectra1
~0.2302~ z
~1.7~
4 22340.20
e 3cp, .n. = 3 0.2294 2.0 [2.098] e ~a, 22149.20
R z (4)
2 0.2277 1.7 218J4.46 z
~483] ~0.2336~ z
d 3~, .n = J
4
473.2j 0.2321 ~2.2~
2.3 [2.082] d ~a,
18809.40
R 18519.90 z (4)(5)
2 484.6 0.2322 1.9 18295.80 z
C2 Jli [0.2191] [1.9] [2.146] c2 .... a2, R 13597.27 z (2)(4)
3 2
cl Al [0.2189] [2.0] [2.147] c 1 t-a 1 , R 1J567.00 z (2) (4)
bz 3.A [0.2216] [2.9] [2.133] b 2 +-a 2 ,R 13316.J5 z (4)
2
a3
a2
J
JA, fl.= 2 a ~537]
537.65j
[0.23875]
0.23902 0.00121 ~1.87~
1.88 2.054 8
al l 537.14 0.23831 0.00120 1.79
E ll:+ [(421)] [o.229]b [2.10] E +- X, R 22574.22 H (4)
D ll:+ [0.242]b [2.04] D +- X, R 22485.35 H (4)
c ln [549] [o.2374 5 Jc [1.65] [2.0611] c .... x, R 20959.83 z (4)(5)
B ln [474] [0.2293 6 ] 0 [2.7] [2~0971] B .,_ X, R 16184.oo z (4)(5)
A lE+ [489.4] z 0.2278 0.0011 [2.1] 2.104 A +- X, R 11661.9 z (2)(4)
x lE+ 0 a
[570] [0.24562] [1.7g] [2.0265]
 State Te w w x Be ae De re Observed Transitions References
e e e
(lo-4 cm- 1 ) {i) Design. I voo

139 La.I H µ = 1. 00056569 SEP 1976

4 t3.8939j: 0.0892 tl. 28j t2.080lj 16346.74 z
b 3$ 3 3.8774 0.1071 1.40 2.0845 b~a, 16006.73 z (l)*
2 - - - - -
3 t3.8477j 0.0764 tl.18j t2.0925j
a 3t:,. 2 3.8431 0.0773 1.20 2.0938
1 - - - -
c ll: [3.8162]a [0.50] [2.1012] C~A, 18595.10 z (l)*
B lfl [3.82J2]a [2.0] [2.0992] B~A, 15618.76 z (l)*
A lrr [3.7837Jb [1.12] [2.1102]

139 La2H µ = 1. 98531572 SEP 1976

4 rl.9743r 0.0331 to.35j t2.0738j 16359.92 z
b 3¢ 3 1. 9691 a 0.0403 o.42 2.0766 b-+ a, 1601'0.97 z (l)*
2 - - - - -
3 tl.9523j 0.0274 tO.Jlj t2.0855j·
a 3t:,. 2 1.9510 0.0282 0.34 2.0862

lfl
1 - - - -
B [1. 9261]a [0.57] [2.0996] B' A, 15611. 92 z (l)*
A lrr [1. 9J46]c [0.35] [2.0950]

La 1 aThermochemical value (mass-spectrom.)(l).
2
(1) Verhaegen, Smoes, Drowart, JCP 40, 239 (1964).
(2) Carette, Blondeau, CR B ~' 16 (1969).
La 1H, La 2H1
aEmission breaks off at relatively low J' values.
b.L\.-type doubling, flv=0.0023J(J+l).
c.A-type doubling, flv=0.00115J(J+l).
(1) Bernard, Bacis, CJP .2f:, 1509 (1976).
LaF1 aNot certain whether X 1 L or a 3t:,. is the ground state.
bStrong interaction between the two 1L states.
cA-type doubling.
(1) Shenyavskaya, Gurvich, Mal'tsev, VMUK 20(4), 10 (1965).
(2) Barrow, Bastin, Moore, Pott, Nature .£±..,2, 1072 (1967).
(3) Shenyavskaya, Gurvich, Mal'tsev, OS(Engl. Transl.) 24, 556
(1968).
(4) Barrow, Lee, Partridge, unpubl. } quoted by Barrow in
(5) Hauge, unpubl. DONNSPEC (1970).

371
 372
State Te w
e w x
e e B
e ae De re Observed Transitions References
(10-7cm- 1 ) (.R) Design. 1 voo

139La160 µ = 14.3433002 0
Do = 8.23 eVa I.P. = 4.9 eV b FEB 1975 A
5
c -..x, v 28035 (6)* (7)(20)
F ( 2z:) 28015 858 H 3.7 F H
D ( 2z:) (79o)d c D-+X, v (277J5)d H (6)* (7)(20)
(27749) H 3
798.4f z h o.352oi 0.0017 14671.19.eZ
2rr 22849.0 e 2.20 [2.8]j C-+A',k V (6)*(7)(25)*
c r g h 1.8295 15150.00.eZ (27)(32)
22631.2 792.5 (2.21) o.3503i 0.0016
(1)(2)* (3)*
22839.61,ez (4)* (6)*
cc.--+ x' R
22618.87.ez (19)(26)*
(27)(32)
(1)(2)(J)*
(4)* (6)*
(7)(9)(10)*
B 2z:+ 17879.l [730.4] z 2.04m o.341Jn 0.0017 [2.5] 1.8557 B+-+X, R 178J7.8 z (11) (13) (19)
(21)(28)(30)
(32)
(22)[Lal8o]
13525.6 [757.17] z 2.olP 13497.63,ez (1)(2)* (6)*
0 r
A 2rr r [o.3463Jq [3.1] [1. 8422] A+-+X, R
12635.65,ez
(7)(10)*
12663.3 761.8P 2.12 (11) (19) (32)

8191. 2 771.6f z h 0.3444 0.0017

2.30
A' 26..r s h [2.8]t 1.8485
7493.4 768.0 (2.17) 0.3435 0.0016
x 2z:+ u 0 [812.75] z 2.22mh o.3526v 0.0014 2.6 1.8257 ESR sp. w

La01 aThermochemical value (mass-spectrom.)(5)(8)(15)(16)(17) Lao (continued):

(18)(29); photoionization [Parr and Inghram, quoted in d(20) favour a slightly different vibrational analysis,
(23)]. increasing v' by 1 and choosing v 00 = 26949.
bElectron impact appearance potential (31). eAo= +221.44.
cTentative rotational analysis (24).
Lao (continued)1 Lao {continued)a
fFrom band origins (25) as well as band heads (7) in {6) Gatterer, Junkes, Salpeter, Rosen, METOX {1957).
C- A', the latter corrected for head-origin separations. {?) Hautecler, Rosen, BCSARB .!±2, 790 (1959).
gFrom band heads in the 0-0 sequence of C- X ( 6) after (8) Goldstein, Walsh, White, JPC £2, 1400 (1961).
correcting for head-origin separations. (9) Tawde, Chandratreya, CS JQ, 1J7 (1961).
hSlightly different constants in (27). (10) Rkerlind, AF 22, 65 (1962).
iLarge .A.-type doubling in 2 n1 1 fiv f(v=O) = + 0.12l(J+!)- ••• ; (11) Ortenberg, Glasko, Dimitriev, SAAJ §, 258 (1964).
2 2 6e
.in n : fivef(v=O) =+0.80xl0- (J-!)(J+!)(J+J/2). (12) Berg, Wharton, Klemperer, Btlchler, Stauffer,
312
JD = 2.5 x 10-7
1 JCP !±J, 2416 (1965).
ksystems G ~? and E -j? of ( 7). (13) Brewer, Walsh, JCP 42, 4055 (1965).
!J'=O relative to N"=O or J"=O. (14) Kasai, Weltner, JCP !±J., 2553 (1965).
mFrom band heads and calculated head-origin separations in (15) Smoes, Drowart, Verhaegen, JCP !±J., 732 (1965).
B-X. (16) Ames, Walsh, White, JPC .z1, 2707 (1967).
nLarge spin doubling iri B 2 L+I fiv 12 = (-)0.256(N+!); small (17) Coppens, Smoes, Drowart, TFS .QJ, 2140 {1967).
hyperfine structure [see (28)]. (18) Drowart, Pattoret, Smoes, PBCS, No. 8, 67 (1967).
0
A0 = + 862.6. (19) Weltner, McLeod, Kasai, JCP 46, Jl72 (1967).
PFrom band heads and calculated head-origin separations in (20) Carette, Houdart, CR B z.11, 110 (1970).
A- X. (21) Murthy, Murthy, JP BJ, Ll5 (1970); j, 714
qLarge ./\.-type doubling in 2 rr 1 1 fivef = + 0.267(J+!). (1972).
2
rB 1 ( 2n ) = 0.3449. (22) Su~rez, JP BJ, 729 (1970); CPL 16, 515 (1972).
312
sFrom Q as well as P heads, the latter corrected for head- (23) Uy, Drowart, HTS z, 29J (1970).
origin separations, in the 0-0 sequence of C 2n_ 21
- A' 2fiJ/2 • (24) Carette, Houdart, CR B ,gzg, 595 (1971).
t D = 2.5xl0 -7 • (25) Green, JMS Jf, 155 (1971).
1
uMatrix studies at 4 K (14)(19) confirm that X 2L+ is the (26) Green, CJP 1_2, 2552 (1971).
ground state. See also (12)(1J). (27) Green, JMS 40, 501 (1971).
vsmall spin doubling in X 2 L+a fiv 12 = + o.0025 (N+!) (28); (28) Bacis, Collomb, Bessis, PR A§, 2255 (1973).
7
large hyperfine structure, 4b = o.494 (10)(26)(28). (29) Ackermann, Rauh, JCP 60, 2266 (1974).
wln Ar matrix at 4 K (14)(19). ( 30) Maranon, Suarez, SpL 1, 303 ( 1974).
(31) Rauh, Ackermann, JCP 60, 1396 (1974).
(1) Jevons, PPS 41, 520 (1929).
(2) Meggers, Wheeler, JRNBS Q, 2J9 (19Jl); 2, 268 (1932). (32) Schoonveld, Sundaram, ApJ(Suppl.) Zl.(246), JO?
(1974).
(3) Piccardi, GCI Qj, 127 (1933).
(4) Gatterer, RS 1, 153 (1942).
(5) Chupka, Inghram, Porter, JCP 24, 792 (1956).
373
 374
State Te w
e w x
e e B
e «e De re Observed Transitions References
(lo- 6cm- 1 ) (i) Design. l voo

139La103Rh µ = 59.113028 D0O= 5. 44 eV a FEB 1975

t39La. 315 µ = 25.9899651 D0O= 5.9 1 ev a FEB 1975

Strong absorption 9ands in the region 22200 - 23800 cm- 1 • Complex structure. (5)
B
x
21:+
2E+
13790.17
0
410.075 H 0.94 [o.11099]b (0.00034) ~I [0.031] [2.4174]
[0.11693]C (0.00034) [0.030] [2.3552]
J
B 4--+ X, R 13766.86 z (5)
. 456.? 0 H 0.965

139 La. cso>se (µ = 50.7301367) D0O= 4 .9 ev a FEB 1975

3

139 La_03o>re (µ = 67.127825) D0o = 3.9 1 eV a FEB 197.5

f39La s9y µ = 54.209522 D0O = 2.0 4 eV a FEB 1975

7L·t2 µ = J.5080024 D0o = l.O4 6 eV a I.P. = 5.0 0 eV b MAR 1977 A

Fragments of other absorption band systems in the ultraviolet. ( 5)
0
D ln u ( J4518) 0
[201.68] Z o.4628a 0.0073 11.4 J.222 D~ X, R J4443.58C Z (11)(17)
c ln z J.J5e 0.5075 i f J.077 C<(- X, J0493.6 z (5)(9)(11)
u 30550.6 237.9 0.00973 9 R
(12)(16)
B ln u 20436.01 270.12 z 2.673g o.5577hi 0.0085j 9.45k 2.935 B~X, l R 20395.32 z (l)* (J)(4)
(18)(19)(20)
(21)
A lE+u 14068.35 255.47 z l.582m o.4975/ 7.54n
0.0054 0 3.1079 A+-X,l R 14020.63 z (6)(8)*
a JE+u Not observed; predicted potential minimum of ""'JOO cm- 1 at 4.J R (22).
x lE+g 0 J51.4J z 2.610° l o.67264i 0.00704P l 9.87q l 2.6729 Mol. beam magn. reson.r (10)(1.3)
LaRha aThermochemical value (mass-spectrom.)(l). Li , Li +, Li 2 - (continued)1
2 2
(1) Cocke, Gingerich, Kordis, HTS j, 474 (1973). cVibrational numbering uncertain.
dRotational constants from Q branches only; see also c.
LaS1 aThermochemical value (mass-spectrom.)(1)(2)(J)(4). eweye = + 0.064.
bLarge spin-splittings, to
= (-)0.0962 7 • fte = + 0.00015 4 • Rotational constants from Q branches only;
cLarge hyperfine splittings, 4b = o.47 cm- 1 • (12) gives B(R,P) - B(Q) = + 0.0024.
(1) Cater, Lee, Johnson, Rauh, Eick, JPC .£2., 2684 (1965). gweye = - 0.082 • Vibrational constants recalculated from
5
(2) Coppens, Smoes, Drowart, TFS£], 2140 (1967). band origins (v'=0 ••• 4) of (20). Slightly different con-
(J) Cater, Steiger, JPC 2£, 22Jl (1968). stants in (J) from a low-resolution magnetic rotation spec-
(4) Bergman, Coppens, Drowart, Smoes, TFS 66, 800 (1970). trum including much higher vibrational levels. The B 1 nu
(5) Marcano, Barrow, JP BJ, Ll21 (1970). state has a potential maximum of rv0.09 eV (7)(18)(29); the
theoretical calculations of (35) predict a barrier of
LaSea ~hermochemical value (mass-spectrom.)(1)(2).
0.0724 ev at 5.61 R.
(1) See ref. (4) of Las. hslightly different constants in (25);.A-type doubling
(2) Ni, Wahlbeck, HTS 1, J26 (1972). .6vef ~ + 0.00016J(J+l).
1
RKR potential curves (14).
LaTea aThermochemical value (mass-spectrom.)(l).
j re ~ - o. 00014.
(1) See ref. (4) of Las. k foe = + O.l4 x 10 -6 •
LT he B- X and A- X systems of 6Li 2 have been analysed by
LaYa aThermochemical value (mass-spectrom.)(l). (24) and (2J), respectively.
(1) Verhaegen, Smoes, Drowart, JCP 40, 2J9 (1964). mW e y e + 0 0025.
0

nHe + 1. 23 x lo-10 •
Li2' Li 2+, Li -, 0
2 wey e = + o. 00295, weze = - o. 000636; from the B°' X fluores-
aValue recommended by (33). Extrapolation of the ground cence spectrum (18), including levels from v=O to 18.
state vibrational levels, taking into account the con- Pre = - o. 00004 (v=O ••• 4) ( 8). For v > 10 Bv and Dv ar~ better
tribution due to long-range forces, gives 8473 cm-1 represented by Bv = B10 - o.0077(v-lO) .;.. o.00016(v-lO) and
[l.051 eV, see (JJ)]. The latest thermochemical value Dv = n10 + 0.22 x io-6(v-10) (18).
[mass-spectrom.(J2)] is 1.11 eV; see also (2) who ob- qH = + 1.54 x io-10 • See also P.
r e .
tained l.OJ eV'using a molecular beam-method. gJ = 0.1079 7 µN (lJ). Li nuclear electric quadrupole
bAverage of a photoionization (15) and electron impact coupling constant (10).
(J2) appearance potential (5.15 and 4.86 eV, resp.).
(continued on p. 376 )
The Rydberg series B,C,D ••• extrapolates to 4.99 eV (26).

375
 376
State w
e Observed Transitions References

Design. l v 00

ng = i.4 4 evs MAR 1977

No spectrum observed. For theoretical calculations see (27)(JO)(Jl)
and references given by these authors.

7Li1 - I.P. = (0.45) eVu MAR 1977

<7 >Li 40Ar (µ = 5.9681970) JAN 1977

B 2E Unstable except for a small van der Waals minimum.b
A 2n (14150) Attractive potential, De= 800 cm- 1 .c A-tX, (5)
x 2E+ 0 Unstable except for a small van der Waals minimum.d

<7 l Li ""0Ar + De
0
= 0.303 eV
e
JAN 1977

7 Li 7 98r µ = 6.4431916 I.P. = (10.0) evb JAN 1977

Peaks in the electron energy loss spectrum at 6.9 and 8.5 eV (15).
Continuous absorption above JJOOO cm- 1 , first maximum at "-'39000 cm-l.c
Diffuse absorption bands at 31560, Jl018, J0467, 29879, (29442) cm- 1 • A.(-X (5)
0 563.16 J.5 d 0.555399 0 0.005644 2 e 2.159 2.170427 Rot.-vibr. sp.f (4)(7)
3
Rotation sp. (J)(l0)(12)
Mol. beam rf electricg (12)(16)(17)
and magn. reson.h (lJ)

sDg(Li2) + I.P. (Li) - I.P. (Li2).

"tprom ng(Li 2 ) and the electron affinities of Li 2 and Li.
u.rheoretical electron affinity of Li 2 from an ab initio calculation by (J4).
A value of 0.90 eV was computed earlier by (28), but see (J4).
Li 2 , Li 2 +, Li 2 - (continued) a
(1) Harvey, Jenkins, PR Jj,, 789 (1930).
(2) Lewis, ZP Q.2., 786 (1931).
(3) Loomis, Nusbaum, PR J.§., 1447 (1931).
(4) McKellar, PR 44, 155 (1933).
(5) Vance, Huffman, PR !±Z., 215 (1935).
(6) Almy, Irwin, PR~' 72 (1936).
(7) King, Van Vleck, PR jj_, 1165 (1939).
(8) McKellar, Jenkins, PDAO 1, 155 (l9J9).
(9) Sinha, PPS 60, 443 (1948).
(10) Logan, Cote, Kusch, PR 86, 280 (1952).
(11) Barrow, Travis, Wright, Nature 1§1, 141 (1960).
(12) Velasco, ARSEFQ A 2§., 175 (1960).
(13) Brooks, Anderson, Ramsey, PRL 10, 441 (1963);
PR A .!lQ, 62 (1964).
(14) Krupenie, Mason, Vanderslice, JCP ]2, 2399 (1963).
(15) Foster, Leckenby, Robbins, JP B £, 478 (1969).
(16) Rico, OPA £ (1), 33 (1969).
(17) Mercier, Rico, Velasco, OPA £ (2), 96 (1969).
(18) Velasco, Ottinger, Zare, JCP ..21:., 5522 (1969).
(19) Ottinger, Velasco, Zare, JCP j_g_, 1636 (1970).
(20) Velasco, Ruano, Rico, OPA J (J), 159 (1970).
(21) Ottinger, Poppe, CPL~' 513 (1971).
(22) Kutzelnigg, Staemmler, G~lus, CPL 1J, 496 (1972).
(2J) Velasco, Rivero, OPA 2 (2), 76 (1972).
(24) Velasco, Morales, Publ. Inst. Optica "Daza de
Valdes" Madrid, No. J§ (1972); OPA .£ (1), 52 (1973).
(25) Velasco, Ennen, Ottinger, OPA .£ (2), 11 (197J).
(26) Velasco, OPA .£ (2), 16 (197J).
(27) Bottcher, Dalgarrio, CPL J§, 1J7 (1975).
(28) Andersen, Simons, JCP 64, 4548 (1976).
(29) Olson, Konowalow, CPL ]2, 281 (1976).
(JO) Mllller, Jungen, CPL 40, 199 (1976).
Li 2 , Li 2+, Li 2- (continued)1
(31) Kirby-Docken, Cerjan, Dalgarno, CPL 40, 205 (1976).
(J2) Wu, JCP .§2, 2040, Jl81 (1976).
(JJ) Stwalley, JCP .£2, 20J8 (1976).
(J4) Dixon, Gola, Jordan, JCP 66, 567 (1977).
(35) Kahn, Dunning, Winter, Goddard, JCP 66, 11)5 (1977).
LiAr, LiAr+1
~rom differential (J) and total (2) scattering cross sec-
bSee the semiempirical calculations of (1). I
tions.
cMorse potential parameters (average of two suggested values)
from the analysis of the far-wing fluorescence spectrum
longward of the Li resonance line at 14904 cm- 1 (5). See
dSee the potential energy curves in (2)(J)(5). I
also (6).
eFrom Li+-off-Ar differential scattering measurements (4).
(1) Baylis, JCP 21., 2665 (1969).
(2) Ury, Wharton, JCP 22., 58J2 (1972).
(3) Klingbeil, JCP .2.2_, 797 (1973).
(4) B8ttner, Dimpfl, Ross, Toennies, CPL J£, 197 (1975).
(5) Scheps, Ottinger, York, Gallagher, JCP .£], 2581 (1975).
(6) Scheps, Gallagher, JCP .£.2, 859 (1976).
LiBrs aThermochemical value (8)(9).
bMaximum of a very broad photoelectron peak with two addi-
tional ill-defined peaks at 10.6 and 11.6 eV, the latter
possibly due to the dimer (LiBr) 2 (19).
cAbsorption cross sections (14).
dweye = + 0.02; vibrational constants from the infrared
spectrum of the natural isotopic mixture.
et = + 0.00002441 rotational constants evaluated (12) from
t~e microwave results for 6Li79Br.
fFor IR spectrum in inert gas matrices see (11).
(continued on p. 379 )
377
 378
State Te w Observed Transitions References
e
Design. l v 00

J
7Li 3sc1
K 3P1T 2n
Jo 2I:
I 2p1r 2n
513500
505900
479200
1090
1030
850
l
µ = 5.8435744

First members of two Rydberg series converging to the Li ls

ionization limit of LiC.e at ""66 eV (532300 cm-1 ) 1 vibra-
tional numbering not established.
K~X,

J~ X,
I"°" X,
513700
506100
479300
JAN 1977
(28)
(28)
(28)
H 26'" 2I: 463900 950 H+- X, 464000 (28)
The energy loss spectrum of 25 keV electrons has peaks at 5.3, 7.2, and 8.9 eV. (19)
Continuous absorption above 40000 cm- 1 , first maximumb at 42800 cm-l.c (1)(18)
Diffuse absorption bands at J5642, 35032, 34482 cm- 1 • A~X (6)
d d o.0080096 1 e
0 643.31 4.501 Rot.-vibr. sp.h (5)(9)
Rotation sp. (14)(21)
Mol. beam rf electric 1 ( 4) ( 20) {22) ( 24)
and magn. reson.j (17)

I.P. JAN 1977

x
l
LiC.e, LiCJ,-,
aThermochemical value (10)(11)(15). A slightly higher value f~e = - o.019ox10- 6 •
was suggested by (7). gFrom the effective Be. Using the data of (21) for the four
bAlso observed in the electron energy loss spectrum. LiC! isotopes (23) has determined re at the minimum of the
0
Absorption cross sections (18). Born-Oppenheimer potential as 2.020700 R.
dCalculated (21) from the rotational constants by use of hIR spectrum of matrix isolated LiC! (13)(16).
1
Dunham's theory. From the infrared spectrum of the isotopic Elec~ric dipole moment of 6L135c.e1 µet[D] = 7.085 3 +
mixture (9) obt~in we = 641. 1 , wexe = 4.2. For 6L135c.e (12) o.o868(v+~) + o.0005 6 (v+i) 2 (20), see also (4)(14). For el-
find w ~ 705 by the molecular beam electric reson. method. ectric quadrupole and other hyperfine coupling constants
e e
fe = + 0.00003966. see {4)(22). The Zeeman spectrum was also studied by the
LiCL, LiC!- (continued)1
molecular beam electric reson. method (24); gJ(7Li35ct) =
+0.10042 and +0.10064 µN for v=O and 1, resp., superseding
.an earlier value by the magnetic resonance method (17).
JNuclear reorientation spectrum of Li (2)(3)(8).
~From D 0~LiCL) and the electron affinities of LiCL and CL.
From the photoelectron spectrum of LiCL- (25); I.P. is
reasonably close to the calculated electron affinity of
LiC! [0.54 eV (26)]; see also (27).
mThe relative intensities of the photoelectron peaks have
been compared (25) with calculated Franck-Condon factors.
(1) Muller, AP(Leipzig) 82, 39 (1927).
(2) Kusch, PR 1.2, 887 (1949).
(3) Logan, Cote, Kusch, PR 86, 280 (1952).
(4) Marple, Trischka, PR 1.QJ, 597 (1956).
(5) Klemperer, Rice, JCP 26, 618 (1957).
(6) Berry, Klemperer, JCP 26, 724 (1957).
(7) Gurvich, Veits, BASPS 22·, 670 (1958).
(8) Kusch, JCP JQ, 52 (1959).
(9) Klemperer, Norris, Bilchler, Emslie, JCP JJ., 1534 (1960).
LiBr (continued)1
2
gDipole moment of 6Li79Br1 µel[D] = 7.226 2 + o.083 (v+~) +
0.0005 7 (v+~) 2 (12). For electric quadrupole and other hyper-
fine coupling constants of the various isotopes see (12)(16)
(17). The Zeeman spectrum was studied by the electric reson-
ance method (18); gJ(7Li79Br) = 0.11206 superseding an
earlier value by the magnetic resonance method (lJ); also
79,81B r nuc l ear magnetic
. moments.
hLi nuclear reorientation spectrum (1)(2)(6).
(1)(2) See ref. (2)(3), resp., of LiCl.
(10) Brewer, Brackett, CRev 61, 425 (1961).
(11) Bulewicz, Phillips, Sugden, TFS j]_, 921 (1961).
(12) Moran, Trischka, JCP J1, 923 (1961).
(lJ) Snelson, Pitzer, JPC §1., 882 (1963) •
(14) Lide, Cahill, Gold, JCP 40, 156 (1964).
(15) Hildenbrand, Hall, Ju, Potter, JCP 40, 2882 (1964).
(16) Schlick, Schnepp, JCP 41, 46J (1964).
(17) Mehran, Brooks, Ramsey, PR 141, 93 (1966).
(18) Davidovits, Brodhead, JCP 46, 2968 (1967).
(19) Geiger, Pfeiffer, ZP 208, 105 (1968).
(20) Hebert, Lovas, Melendres, Hollowell, Story, Street,
JCP 48, 2824 (1968).
(21) Pearson, Gordy, PR 1.Z.Z, 52 (1969).
(22) Gallagher, Hilborn, Ramsey, JCP ..2§., 5972 (1972).
(2J) Watson, JMS ~' 99 (1973).
(24) Freeman, Johnson, Ramsey, JCP 61, 3471 (1974).
(25) Carlsten, Peterson, Lineberger, CPL ..rz, 5 (1976).
(26) Jordan, Luken, JCP 64, 2760 (1976).
(27) Jordan, JCP £..2, 1214 (1976).
(28) Radler, Sonntag, Chang, Schwarz, CP 1.J., J6J (1976).
(J) Honig, Mandel, Stitch, Townes, PR ..2..§, 629 (1954).
(4) ••• (9) See ref. (5)(6)(8) ••• (11), resp., of LiCL.
(10) Rusk, Gordy, PR 1£2, 817 (1962).
(11) See ref. (16) of LiCL.
(12) Hebert, Breivogel, Street, JCP 41, 2368 (1964).
(13) ••• (15) See· ref. (17) ••• (19), resp., of LiCL.
(16) Hebert, Street, PR 11.§., 205 (1969).
(17) Hilborn, Gallagher, Ramsey, JCP ..2§., 855 (1972).
(18) Cecchi, Ramsey, JCP 60, 53 (1974).
(19) Goodman, Allen, Cusachs, Schweitzer, JESRP J, 289 (1974).
379
 380
State w
e
we xe Observed Transitions References
Design. J v 00

(µ = 6.6642051) D O = ( 0 • 72 ) e Va
e JAN 1977
(16477) (77) H Fragment B+- X, 164.32 H (1)(2)
(167)
0 H
I
µ = 5.1238103 JAN 1977
2

l
K 3p1T n 510700 1420 K~X, 510900 (.31)
First members of two Rydberg series converging to the
J 36' 2I: 502200 1400 J+- x, 502500 (Jl)
Li ls ionization limit of LiF at 65. eV (528300 cm- 1 ):
I 2p1T 2 rr 477500 1240 5 I+- X, 477600 (Jl)
2 vibrational numbering not established.
H 26' I: 458600 (1000) H+- X, 458600 (31)

Peaks in the electron energy loss spectrum at 6.6, 8.7, 10.9, 62.0 eV. (22)

Ab initio studies of the lowest 1 I: states (including the ground

state), curve crossings (28)(29)(.32).
x 0 1. 3452576 o.0202868c 1.56.3864 Rotation-vibr. sp.e (8)(9)(14)
Rotation sp. (16)(19)(24)
(25)
Mal. beam rf electricf (16)(2.3)(26)
(JO)
and magn. reson.g (20)

LiCs 1 8From Li - Cs total scattering cross sections ( .3),
dependent on the assumed value for re.
bTheoretical value, quoted in (3).
(1) Walter, Barratt, PRS A 1!2., 257 (1928).
(2) Weizel, Kulp, AP(Leipzig) ~' 971 (1930).
(.3) Kanes, Pauly, Vietzke, ZN 26 a, 689 (1971).
LiF1 aThermochemical value (5)(10)(11)(17).
bFrom the infrared spectrum [constants corresponding to the
J numbering "M . - 2" in table III of ( 9) J. In good agree-
orig
ment with constants calculated from the microwave results1
w8 = 910.2 , wexe = 8.10.
5
c+ o.0001558(v_+~) 2 -J.5x io-7{v+~).3.
LiF (continued)1
d/3e = - 0. 012 4 x 10 -5 • (10) Brewer, Brackett, CRev 61, 425 (1961).
eFor IR frequencies in inert gas matrices see (12)(15)(18) (11) Bulewicz, Phillips, Sugden, TFS ..2.Z., 921 (1961).
(21). The lifetime of the lowest vibrationally excited (12) Linevsky, JCP J.!±, 587 (1961); J.§., 658 (196J).
level of 6LiF, ~(v=l) = 14.J ms, was determined by (27) (lJ) Moran, Trischka, JCP J.!±, 92J (1961).
using the molecular beam electric resonance method. (14) Vasilevskii, Baikov, OS(Engl. Transl.) 11, 21 (1961).
fDipole moment of 7LiF1 µel[D] = 6.28J9 + 0.0815J(v+~) + .(15) Snelson, Pitzer, JPC §1_, 882 (196J).
o.ooo445(v+~) 2 , v=0,1,2 (JO); see also (16)(2J)(26). For (16) Wharton, Klemperer, Gold, Strauch, Gallagher, Derr,
electric quadrupole and other hyperfine coupling constants JCP J§.,120J (196J).
see (25)(JO). Earlier electric resonance work in (2)(J)(4) (17) Hildenbrand, Hall, Ju, Potter, JCP 40, 2882 (1964).
(lJ) and (6) who found gJ(7LiF) = +0.0642 µN from the Zee- (18) Schlick, Schnepp, JCP 41, 46J (1964).
man splitting of the hyperfine structure; see also g• (19) Veazey, Gordy, PR A~' lJOJ (1965).
ggJ(7LiF) = (+)0.07J7 µN by the magnetic resonance method (20) Mehran, Brooks, Ramsey, PR 141, 9J (1966).
(20); see also (6). Li NMR spectrum (1)(7). (21) Snelson, JCP 46, J652 (1967).
(22) Geiger, Pfeiffer, ZP 208, 105 (1968).
(1) Kusch, PR 1..2, 887 (1949). (2J) Hebert, Lovas, Melendres, Hollowell, Story, Street,
(2) Swartz, Trischka, PR 88, 1085 (1952). JCP 48, 2824 (1968).
(J) Braunstein, Trischka, PR~' 1092 (1955). (24) Pearson, Gordy, PR l'.Zl, 52 (1969).
(4) Kastner, Russell, Trischka, JCP ~' 17JO (1955). (25) Cupp, Smith, Contini, Woods, Gallagher, PL A 44, J05
(5) Pugh, Barrow, TFS 2±., 671 (1958). (197J).
(6) Russell, PR 111, 1558 (1958) (26) Mariella, Herschbach, Klemperer, JCP ..2§., 3785 (197J).
(7) Kusch, JCP JQ, 52 (1959). (27) Bedding, Moran, PR A 2, 2324 (1974).
(8) Klemperer, Norris, Buchler, Emslie, JCP J.1, 15J4 (1960). (28) Kahn, Hay, Shavitt, JCP 61, 3530 (1974).
(9) Vidale, JPC 64, Jl4 (1960). (29) Batter, Kooter, Mulder, CPL J.1, 5J2 (1975).
(JO) Hebert, Hollowell, JCP ..Q.2, 4J27 (1976).
(Jl) Radler, Sonntag, Chang, Schwarz, CP 1.J, 36J (1976).
(J2) Yardley, Balint-Kurti, MP J1:., 921 (1976).

381
 382
State w Observed Transitions References
e
Design. l v 00

7
Li 1H µ = 0.881238JJ JAN 1977 A
For ab initio calculations of X 1 E, A 1 E, B 1 n, a 3E, b Jn {lowest stable triplet state at
"'1700 cm-1 below B 1 n) see (lJ). Excitation energies and oscillator strengths for higher-
lying states have been computed by (19). The most recent ground state studies are those of
(17) and (22), the latter including other low-lying 1 E+ states.
B ln 34912 [130.73] z b 3.383C d o.986e [2.6l 2.378 B<- x,I R 34312.26 z ())*
A lE+ 26516 [280.96]g z [2.8536]gd [1.187]g 2.605 Ah~x,i R 25943.13 z (1)
d
x ll:+ 0 1405.65 z 2J.20j 7.5131 o.2132k o.8617;, 1.5957 Rot.-vibr. sp. (2)(4)(5)
Mol. beam electricm {7)(12) (18)
and magn. reson. {8)

7
Li 1 H µ = 1. 56487081 D00 = 2.45090 eVa I.P. = 7.7 evb JAN 1977
B ln .34908.8 178.70 z 29.lJC l.904d o.425e o.44f I 2.379 B'r- X, R J4466.27 z (2)(9)
A ll:+ 26513 [205.6]g [l.6125]hi [o.350 8 Jh 2.590 A~X, R 26082.8 z (1)(11)
x lE+ 0 z 12.9J5j k i,
o.2756m 1.5941 Rotation spectrum (7)
1054.803 4.2J94 0.1000
Mol. beam electricn (5)(8)(13)
and magn. reson. (6)

Li 1Hs ~rom the predissociation in B 1 n; the evaluation by (14) combination with long-range tail and exponential inner
takes into account the long-range potential of this wall].
state. e )'; = - O. 04 5.
b6G(J/2) == 45.9. n1 =4.8x10 -3 ; H0 = - l.7x 10-5 , H1 = - 5.6x 10- 5 •
f e

cPredissociation by rotation; breaking off above J'=B,5,2 g6G(v+i), Bv, Dv' Hv have been determined up to v=l4. The 6G
in v'=0,1,2, respectively; see also (14). Dissociation and Bv curve have maxima for v=9 and 3, resp.; we~ 235,
limit at J4492.5 cm- 1 above X 1 L:, v"=O, J"=O. wexe ~ - 28, weye ~ - 4: Be ~ 2.819, oce ~ - 0.078, Oe ~
dRKR potential curves (6); (9)[A state]: (14)[B state, - 0.026, and higher order constants.
Li 1H (continued)1
hRadiative lifetimes ~(v',J')1 ~(2,3) = 29.4 ns, ~(5,3)
= 30. ns, ~(7,12) = 36. 9 ns (20); T(5,5-15) = 31 ns
5
(21).
iintensity distribution in the v'-0 bands (11); RKR
Franck-Condon factors ( 10). The A- X system of 6Li 1H
was analyzed by (15).
jll) y = + 0.163.
k e e
re = + 0.00075; all rotational constants are from V=
0,1,2 only.
'"e = - o. 01 6 0 x 10 -3 , see k • Hv = 11. 4 x 10 -8 - •••
J,/J.
mµei,(v=0,1,2) = 5.8820, 5.9905, 6.098 D (7)(12). Hyper-
fine structure constants (7)(12)(18). Zeeman spectrum
(18), gJ(v=O,J=l) = -0.6584 2 in agreement with an
earlier less precise value obtained by (8) using the
magnetic resonance method. For a combination of both
theoretical (13) and experimental results see (16).
(1) Crawford, Jorgensen, PR !±J.., 932 (1935)r ~' 745
(2) Klemperer, JCP £2., 2452 (1955) I
(1936).
(J) Velasco, CJP J..2, 1204 (1957); OPA 1 (1), 14 (1974).
(4) Norris, Klemperer, JCP 28, 749 (1958).
(5) James, Norris, Klemperer, JCP ,lg, 728 (1960).
(6) Fallon, Vanderslice, Mason, JCP ,lg, 1453 (1960);
Jl, 944 (1960) [Erratum].
(7) Wharton, Gold, Klemperer, JCP JJ, 1255 (1960);
J..Z, 2149 (1962).
(8) Lawrence, Anderson, Ramsey, PR 11Q, 1865 (1963).
(9) Singh, Jain, PPS 1.2., 274, 753 (1963).
(10) Halmann, Laulicht, JCP 46, 2684 (1967).
(11) Fernandez-Florez, Velasco, OPA ~ (3), 123 (1969).
(12) Rothstein, JCP .2.Q, 1899 (1969).
(lJ) Docken, Hinze, JCP 5J.., 4928, 4936 (1972).
Li 1H (continued)1
(14) Way, Stwalley, JCP j2, 5298 (1973).
(15) Velasco, Rivero, OPA 1 (1), 45 (1974).
(16) Docken, Freeman, JCP 61, 4217 (1974).
(17) Meyer, Rasmus, JCP .2.J., 2356 (1975).
(18) Freeman, Jacobson, Johnson, Ramsey, JCP .2.J., 2597
(1975).
(19) Stewart, Watson, Dalgarno, JCP .2.J., 3222 (1975).
(20) Dagdigian, JCP 64, 2609 (1976).
(21) Wine, Melton, JCP 64, 2692 (1976).
(22) Yardley, Balint-Kurti, MP Jl, 921 (1976).
Li 2H1 aFrom the predissociation in B 1 rr (9). A thermochemical
value (mass-spectrom.) of 2.49 eV was determined by (12).
bElectron impact appearance potential (12).
cw e y e = - 3.51 (v=O ••• 3) (9) •
dAll four observed levels are predissociated by rotation;
breaking off above J'=l2,9,6,2 in v'=. 0,1,2,3. Dissoci-
ation limit at 34671.5 cm- 1 above X 1 r, v"=O, J"=O.
e - 0.005(v+~) 2 - O.OOl(v+!-)3, v=0 ••• 3 (9).
fA.
J
'"e = +o. 6 3x10 -3 H0 = - 2.5x10 -6 , H1 = - 5.3x10 -6 ,
H2 = -16.5xl0 •
gExtrapolated from the observed 6G(v+!) values for v=l •••
18. The 6G curve has a maximum at v=l3. ll)e ~ 181. wexe ~
9
- 13.4, weye ~ - i.o , •••
3
hExtrapolated from observations for v=l ••• 17; Hv values
were also determined. The Bv curve goes through a maximum
.at V=4. Be~ 1.6054, a.e ~ - 0.0152, te ~ - 0.0021 1 , •••
1
RKR potential curves (3)(4).
j + O. 0392 (v+~) 3 + O. 00325 3 (v+~ ) 4 - o. 000148 (v+~) 5, the
3 9
vibrational and rotational constants (except Dv, Hv) are
(continued on p. 38 5 )
383
 384
State w Observed Transitions References
e
(i) Design. I v 00

µ = 2.54862352 JAN 1977

X L (4)(5)(6) and B L (6) are unstable except for very small van der Waals minima; A 2 n
2 2

(J)(6) is attractive with an estimated well depth of 500 to 1500 cm- 1 • Additional excited
state potential curves computed by (1)(5). Theoretical coefficients for collision-induced
absorption by Li - He (v = 0 - JOO cm- 1 ) calculated by (4a). The noble-gas broadening of the
Li resonance line was studied by (7).

JAN 1977 A
Theoretical calculations of the ground state potential (2)(J)(9) predict De and re values
varying from 0.064 eV and 1.98 R to 0.075 eV and 1.92 R, respectively. See also (1)(8)

µ = 6.6484410 JAN 1977

Peak~ in the electron energy loss spectrum at 7.3 and 9.7 eV. (16)
Continuous absorption above 28600 cm- 1 with maxima at JJ900 and 45000 cm -1 • b (15)
Diffuse absorption bands from 29146 to 24507 cm- 1 • 0 A~X (7)(19)
0 498.1 6 (Z) J.J d
0.44Jl82 0 0.004090 e 1.448 2.391924 Rot.-vibr. sp. (6)(9)
9
Rotation spectrum (4) (12) (lJ)
Mol. beam rf electricf (1J)(l8)
and magn. reson.g (14)

<1> Li. (39> K (µ = 5.9454387) JAN 1977 A

(17578) (lJO) H Fragment B~ X, (R) 17539 H (l)* (2)
0 {207) H l
(0.265)a (3.27)a Mol. beam rf el. reson. b ( J)
Li 2H (continued):
derived from A-+X fluorescence series extending to v" =
20, i.e. 82% of the dissociation energy (ll)J the more
accurate data for low v" from (1) are also included, but
not the microwave data of (7).
kRKR potential curve (11).
2
i, + o.0028 (v+!) - o.000109 (v+!)3; see • From the milli-
7 6
meter wave spectrum (7) obtain Y01 = 4.233107 and Y11 =
- 0.091550 (v=O,l only).
m_ o.oo66 x lo-3(v+!) + o.00057 x lo-3(v+~) 2 1 Hv = [2.118
3 5
- o • 1o5 ( v+! ) ] x 1 o- 8 ( 1 ) •
nµef,(v=O) = 5.8677 D (5)(8). Hfs constants (5)(8)(13).
gJ(v=O,J=l) = -0.2767 4 µN from the Zeeman sp. (13); a
less precise value was earlier obtained (6) by the mag-
netic resonance method. See also (10).
(1) Crawford, Jorgensen, PR !±1_, 358 (1935); !±2_, 745
(2) Velasco, CJP J..2., 1204 (1957) I (1936).
(3) Fallon, Vanderslice, Mason, JCP J,g,, 1453 (1960)1
J], 944 (1960) [Erratum].
(4) Singh, Jain, CJP 40, 520 (1962).
(5) Wharton, Gold, Klemperer, JCP J..Z, 2149 (1962).
(6) Lawrence, Anderson, Ramsey, PR 11.Q, 1865 (1963).
(7) Pearson, Gordy, PR 1.Zl, 59 (1969).
(8) Rothstein, JCP ..2.Q, 1899 (1969).
(9) Stwalley, Way, Velasco, JCP 60, 3611 (1974).
(10) Docken, Freeman, JCP 61, 4217 (1974).
(11) Ennen, Ottinger, CPL J.2, 16 (1975).
(12) Ihle, Wu, JCP £], 1605 (1975).
(13) Freeman, Jacobson, Johnson, Ramsey, JCP £], 2597
(1975).
LiHe, LiHe+1
(1) Schneiderman, Michels, JCP 42, 3706 (1965).
(2) Catlow, McDowell, Kaufman, Sachs, Chang, JP B J, 833
(3) Krauss, Maldonado, Wahl, JCP,2±, 4944 (1971). j (1970).
(4) Dehmer, Wharton, JCP 22., 4821 (1972).
(4a)Bottcher, Dalgarno, Wright, PR A 1, 1606 (1973).
(5) Pascale, Vandeplanque, JCP 60, 2278 (1974).
(6) Bottcher, Cravens, Dalgarno, PRS A .1±§., 157 (1975).
(7) Gallagher, PR A 12, 133 (1975).
(8) Morrison, Akridge, Ellis, Pai, McDaniel, JCP Q], 2238
(9) Hariharan, Staemmler, CP 1..5., ·409 (1976). j (1975).
LiI1 aClose agreement between several thermochemical values
[(10); mass-spectrom.(5); flame-photom. (11)] and the
spectroscopic value of (1).
bAbsorption cross sections (15). UV absorption in inert
matrices (17) shows banded structure in the region 34500-
40000 cm- 1 indicating the existence of a stable upper
state (possibly lowest excited O+) with we ~ 365.
cA broad single band appears at 28560 cm- 1 in matrix ab-
sorption spectra (17).
dw y + 0.08; vibrational constants from the IR sp.(9).
e e 6
ere=+ 0.000015 • For constants of Lil see (13).
3
fDipole moments for 6 LiI1 µei,(v=O,l) = 7.428 , 7.512 0 D
5
(13). Hfs constants (13)(18); see also (4) and (2)(3)(8).
ggJ(7LiI) = (+)0.107 µN. Li NMR spectrum (2)(3)(8).
References on p. 387 •
LiK1 aEstimated constants for 7Li39K (3). See also (4).
bµei,(7Li39K; v=O,J=l) = 3.4 D; also values of eqQ.
5
References on p. 387 •
385
 386
State Te w wexe Be t\'e De re Observed Transitions References
e
(10- cm- 1 ) (i) Design. l voo

(7 l Li cs4 >Kr (µ = 6.4746469) De0 = 0.0084 eva JAN 1977

B 2E+ Unstable except for a small van der Waals minimum.b
A 2Il (1.3790) Attractive potential, De ~ 1185 cm -1 • c c
J.18
x 2E+ 0 Unstable except for a small van der Waals minimum. d 4.78a

<7 ) Li <9,,.>Kr + DO= 0.391 eve

e JAN 1977

7Li •4N µ = 4.6741171 JAN 1977

Predicted spectroscopic constants in (1)(2).

7 Li 23 Na µ = 5.3755098 JAN 1977 A

B ln [o.307]ab [J.20]b B~X, R 20226.0lb z ( J)
x lE 0 256.8 z l.612c 0.396 0.0036 2.81 Mol. beam rf electricd (5)
and magn. reson. {4)

<7 >Li. 23 Na + DO= 0.994 eV e JAN 1977

e

LiKr, LiKr+1
aFrom high-resolution differential scattering cross sec- dSee the potential energy curves in (2)(J)(5).
tions (J); see also (2). eFrom Li+-off-Kr differential scattering cross sections (4).
bSemiempirical calculations of (1).
(1) Baylis, JCP .iJ:, 2665 (1969).
cMorse potential parameters {average of two suggested
(2) Dehmer, Wharton, JCP :IL, 4821 (1972).
values) from the analysis of the far-wing fluorescence
(3) Auerbach, JCP 60, 4116 (1974).
spectrum longward of the Li resonance line at 14904 cm- 1
(4) B8ttner, Dimpfl, Ross, Toennies, CPL Jg, 197 (1975).
(5). See also (6).
(5) Scheps, Ottinger, York, Gallagher, JCP £1, 2581 (1975).
(6) Scheps, Gallagher, JCP .Q.2, 859 (1976).
LiN1 (1) Dykstra, Pearson, Schaefer, JACS .21, 2321 (1975). LiNa, LiNa+ (continued)1
(2) Jordan, JCP 22, 1214 (1976). (1) Bertoncini, Das, Wahl, JCP ~' 5112 (1970).
LiNa, LiNa+1 (2) Dagdigian, Graff, Wharton, JCP ..22, 4980 (1971).
(3) Hessel, PRL 26, 215 (1971).
aA-type doubling, tw f = + l.9 x 10-4 J(J+l). (4) Brooks, Anderson, Ramsey, JCP 2.§., 5193 (1972).
b e 5
v' numbering unknown. (5) Graff, Dagdigian, Wharton, JCP 21, 710 (1972).
cw y = - 0.0075. (6) Oppenheimer, Bottcher, Dalgarno, CPL 1.2, 24 (1972).
d e e
µel(v=O) = o.463 D; quadrupole coupling constants (5), (7) von Busch, Hormes, Liesen, CPL .1±,, 244 (1975).
for ?Li in disagreement with the value from the magnetic
(8) Habitz, Schwarz, CPL J.!±, 248 (1975).
resonance spectrum (4). See also (2)[molecular beam
(9) Rosmus, Meyer, JCP 22, 492 (1976).
electric deflection] and (9)[ab initio calculation, di-
pole moment function].
eTheoretical calculation of (8), confirmed by the elastic
Na+-on-Li scattering data of (7). Slightly lower values
computed by (6) and (1) who give also results for other
spectroscopic constants.

Lili (1) Beutler, Levi, ZPC B 24, 263 (1934). (10) Brewer, Brackett, CRev 61, 425 (1961).
(2) Kusch, PR .z2, 887 (1949). (11) Bulewicz, Phillips, Sugden, TFS 21, 921 (1961).
(3) Logan, Cote, Kusch, PR 86, 280 (1952). (12) Rusk, Gordy, PR .Jd.Z, 817 (1962).
(4) Honig, Mandel, Stitch, Townes, PR .2.§., 629 (1954). (13) Breivogel, Hebert, Street, JCP 42, 1555 (1965).
(5) Friedman, JCP £}, 477 (1955). (14) Mehran, Brooks, Ramsey, PR 141, 93 (1966).
(6) Klemperer, Rice, JCP 26, 618 (1957). (15) Davidovits, Brodhead, JCP 46, 2968 (1967).
(7) Berry, Klemperer, JCP 26, 724 (1957). (16) Geiger, Pfeiffer, ZP 208, 105 (1968).
(8) Kusch, JCP ]Q, 52 (1959). (17) Oppenheimer, Berry, JCP _2t, 5058 (1971).
(9) Klemperer, Norris, Bilchler, Emslie, JCP JJ., 1534 (18) Jacobson, Ramsey, JCP 22, 1211 (1976).
(1960). (19) Levi, Dissertation (Berlin, 1934).

LiK1 (1) Walter, Barratt, PRS A 1:12, 257 (1928). (3) Dagdigian, Wharton, JCP 21, 1487 (1972).
(2) Weizel, Kulp, AP(Leipzig) 1, 971 (1930). (4) Cavaliere, Ferrante, Lo Cascio, JCP 62, 4753 (1975).

387
 388
State Te w
e wx
e e Be «e D re Observed Transitions References
e
(10- cm- 1 ) (i) Design. l voo

<7> Li (2.o) Ne (µ = 5.1934518) 0

De = 0.0011 eVa JAN 1977
2r;
B
A 2n
2r;
} Semiempirical interaction potential calculations (1). Broadening of
the Li resonance line at 6708 i (14904 cm- 1 ) by neon (4).
x Model potential calculation (J); see also ( 1). 5.05a
l
1Li thQ µ = 4.8768325
0
D0 = 3. 4 9 eV
a I.P. = 8.45 evb JAN 1977
A 22.:+ (2330) 0
(866.7)C (6.7)C (l.349) c (0.0199) 0
( 1. 599) c
x 2n.
l
0 d (851.5)ce (12.5) 0 (l.202) 0 (0.0151) 0 (1.695) 0 IR spectrumf (2)(9)
Mol. beam rf el. reson.g (5)

(7 >L i (SS) Rb (µ = 6.4805376) JAN 1977

B (17552) (81) H Fragmenta B~ X, 17500 H (1)(2)
x lr:+ 0 (185) H
l Mol. beam rf el. reson.b (J)

C7> Li c1321xe {µ = 6.6616695) DO= 0.0127 eva JAN 1977

e
B 2r: Repulsive state except for a small van der Waals minimum.b
Attractive potential, De~ 1630 cm- 1 • 0 c
A 2n (1JJ80) I J.06
x 22.: 0 Repulsive state except for a small van der Waals minimum.d 4.8oa
_l

<7 >LiC 131>Xe + DO= 0.51 eve

e JAN 1977
LiNe1 aApproximate constants from total scattering cross LiO (continued)a
sections (2).
(8) Marchetti, Julienne, Krauss, JRNBS A 7...Q, 665 (1972).
(1) Baylis, JCP 21., 2665 (1969). (9) Spiker, Andrews, JCP 2§., 702 (197J).
(2) Dehmer, Wharton, JCP .21., 4821 (1972). (10) Veseth, JMS j,2, 51 (1976).
(J) Bottcher, Dalgarno, Wright, PR A z, 1606 (197J).
LiRb1 aOnly five bands,four of which have ~v=O.
(4) Gallagher, PR A 12, lJJ (1975).
bDipole moment of 7Li 8 5Rb1 µeL(v=O) = 4.o 0 D, calculated
Li01 aThermochemical value [mass-spectrom.(1)(2)(7), flame (J) with Bo= 0.218 estimated from Badger's rule [see, how-
photom. (4)]. ever, (4)]. Quadrupole coupling constants (J).
bElectron impact appearance potential (7). (1) Walter, Barratt, PRS A lJ:.2., 257 (1928).
CCI calculation of (6); see also (8).
(2) Weizel, Kulp, AP(Leipzig) ±, 971 (19JO).
dA = - 112.0, A1 = - 108; from the radio frequency (J) Dagdigian, Wharton, JCP 21, 1487 (1972).
0 2
spectrum (5). The n symmetry of the ground state was
(4) Cavaliere, Ferrante, Lo Cascio, JCP 62, 4753 (1975).
originally established by molecular beam electric de-
flection (J). LiXe, LiXe+1
eThe fundamental frequencies in krypton (2) and nitrogen ~rom high-resolution differential scattering cross sec-
.
(9) matrices are 74 5 and 700 cm - 1 , respec t'ive 1 y. tions (J). See also (2).
fin inert gas matrices. bSemiempirical calculation of (1).
gµe 1 (v=0) = 6.84 D. The hfs parameters have been re- cMorse potential parameters (average of two suggested
evaluated by (10). values) derived from the far-wing fluorescence spectrum
(1) Berkowitz, Chupka, Blue, Margrave, JPC .QJ., 644 longward of the Li resonance line at 14904 cm-l (5). See
(1959). also ( 6).
(2) White, Seshadri, Dever, Mann, Linevsky, JCP J..2, dSee the potential curves in (2)(5).
246J ( 196J). eFrom Li+-on-Xe differential scattering cross sections (4).
(J) Berg, Wharton, Klemperer, JCP ~' 2416 (1965). (1) See ref. (1) of LiNe.
(4) Dougherty, Dunn, McEwan, Phillips, CPL 11, 124 (2) See ref. (2) of LiNe.
(1971). (J) Auerbach, JCP 60, 4116 (1974).
(5) Freund, Herbst, Mariella, Klemperer, JCP 2.£, 1467 (4) Bottner, Dimpfl, Ross, Toennies, CPL ,lg, 197 (1975).
(1972). (5) Scheps, Ottinger, York, Gallagher, JCP .2J., 2581 (1975).
(6) Yoshimine, JCP 21, 1108 (1972); Yoshimine, McLean, (6) Scheps, Gallagher, JCP .2..,2, 859 (1976).
Liu, JCP 2§., 4412 (197J).
(7) Hildenbrand, JCP .22, 4556 (1972).

389
 390
State T
e we wexe B «e De re Observed Transitions References
e
(lo- 6cm-1 ) (i) Design. 1 voo

11slu'9F µ = 17.1373091 Doa

0 MAR 1976 A
G lr; 33225.9 599.1 H 2.6 G-X, 33220.1 H (2)
F lr; 25831.8 [555.59] z 2.6 H 0.25815 0.00169 0.210 1.9520 p-.x, 25806.28
R z (2)(J)
E ln 24474.10 543.42 z 2.28 o.25647b 0.00161 0.227 1.9584 E-X, R 24439.98 z ( 3)
D ln 20047.8 569.7 H 2.5 [0.2592]c [0.22] [1. 948] n-.x, R 20027.33 z ( 2) ( 3)
c (18894.1) 605.5 H 2.5 c-..(x), 18891.5 H (2)
B ln 16799.9 [576.08] z 2.5 H [o.26241]d 0.0016 [0.203] [1.9361] B-+X, R 16784.52 z (2)(3)*
A lr;
x lr;( +)
16164.66
0
587.95 z
611.79 z
2.58
2.54
0.26356
0.26764
0.00162
0.00156
0,2081
0.204
1.9319
1.9171
A-X, R 16152. 7.3 z (J)*

11slu.'H µ = l. 00205245 MAR 1975

a b (0.13l)d
H ln t4.5548j c tl79j
177 e [L 923 8 ] H .... X, 23525.00 z (l)* {2)
4.5365 0.1354
lr; f o.120 6g
G 4.5460 178 1.9237 G-X, R 19767 .oo z (l)* {2)
F ln t4.7025j~ ~ t213j1
171 [l.897] F...,.x, v 18921.49 z ( 2)
4.6496
E lr; [4.6275]h [200] [l.9067] E-X, 177.32.92 z (2)
j 4.534k c 0.131 23ok
D ln b l. 9280 D-J>X,m R 17050.l z (2)
4.518 0.137 [217]!
c ln n t4.2306r ~ t136r
118 p [l.998] c....,.x, R 16721.9 z (2)
4.1965 0.1027
lr; q 195r 15270.00 z
B 4.5723 0.1171 1.9182 B-X, (2)
b
A ln s t4.8623j c
4.4674 0.1149
t69oj~
195 [1.90] A-+X, 12988.63 z (2)

x 12:(+) 0 (1520) (22) 4.6021 0.0990 169v 1.9119

-·
LuF: aThe dissociation energy was estimated (1) at 5.9 eV. av 0 ( 1-1) = 23473, ·v 0 ( 2-2) 23389.
bA-type doubling,· 6.vfe = (+)0.00030xJ(J+l). be levels.
c.L\-type doubling, 6.vfe = (-)O.OOJ2x J(J+l). cf levels.
dA-type doubling, t.vfe(v=O) = (-)0.00060 x J(J+l). dPerturbation in v=l.
e -6 -8
(1) Zmbov, Margrave, AdC No. 72, 267 (1968). / l = 18Jxlo ; H0 = + o.2 x10 •
5
(2) D'Incan, Effantin, Bacis, JP B 2, Ll89 (1972). v 0 (1-l) = 19696.
(J) Effantin, Wannous, D'Incan, Athenour, CJP ..21, 279 gv=l perturbed.
(1976). hPerturbations in v=O and l; constants for v=l could
not be determined.
i
_H 0 = - J x 10 •
-8
Jv 0 (1-l) = 16918.6.
kPerturbation in v=O. H 0 = + 4x10- 8 , H + 7. 6 x10- 8 •
1
i, n = 200 x lo -6 r H ' = + 1. 4 x io -8
1 0
mvery weak system, J'~ 7 not observed.
nv 0 (1-l) = 16591.0.
0
Perturbations in v=O and l. H 0 = - 0.9 x io- 8 •
Constants for v=l could not be determined.
Pn = 126 x 10-6.
1
~ 0 (1-1) = 15173.17.
r
H0 = + 0. 9 x 10 -8 •
sv 0 (1-l) = 12904.32, v 0 (2-2) = 12810.00.
t
H0 = + 5. Ox 10 •
-7
uD
1 19 x 10 ; H 0 = - 0. 5 x 10 -8 , H1
4 -6 2.4 x lo- 8 • .
v He + O. 5 x 10 -8 •
(1) D'Incan, Effantin, Bacis, CJP ..2.Q, 1810 (1972).
(2) Effantin, D'Incan, CJP .21, 1394 (1973).

391
 392
State Te we wexe Be
ll «e De
(lo- 6cm-1 )
re
(i)
Observed Transitions
Design. 1 voo
References

11slu2H µ = l. 99117769 D00 = (3.4) eV MAR 1975

H ln z 17.4 a 44.4b z
23545.9 1058.6 2.3236 0.0484 I 1.9088 H-+X, 23535.73 (1)(2)
G 12:: 19815.5 1023.6 z ll.3c 2.272~ 0.036 2° 42.6° l.9302 G-+X, R 19789.28 z (1)(2)
F ln (18922) [1072.5) z 2.373 0.036 [no]d 1.889 F-+X, v 18923.26 z ( 1) ( 2)
f
E l:E 17744 [1033.26] z (15.5)e 2.3690 0.049-/ 46.4 1.8904 E-.X, 17737.05 z (1)(2)
D ( 1 n) n-.x,g 17129.1 z ( 1)
c ln 16778.2 997.2 z 16.2h 2.205 1 0.038h 46.3h 1.959 C-+X, R 16737.64 z (1)(2)
j
B l:E 15306.3 [988.54] z (12.1) 2.2681 0.0400 44.4 i.932 0 B-+X, R 15274.59 z (1)(2)
A ln A_.X, 13039.9 z (1)
x 11:(+) 0 1075-35 z l0.3k 2.3203 0.0356 43.3k l. 9102

11s Lu 160 µ = 14.65500168 D0O= 7.1 eV a MAR 1975 A

9
Two short continua in the red. (3)
c 22::+ 24440 (770) H (5) [O.J4411]b [0.297] [1.82834] C -+X, R 24402.90 z (J)(8)(10)*
B ( 2n } 21470 793. 0
c H 4.o [o.3528]d [1.8057] B-ti-X, R 21445 H (1)(2)*(4)*
312 (7)(9}
A
2 (19392)e (800) H (5) A-+ X, R (19J70)e H (2)* (3)
( Il1;2>
(4}* (9}
x 22:+ 0 c [o.35806]f 0.0016
842.5 H 3.10 [0.255] 1.7904

(11s) Lu.c19s>pt (µ = 92.205411} D00 = 4.1 eVa MAR 1975

01s) Lu<32>5 (µ = 27.0317641} D00 = 5.1 9 eVa MAR 1975

c11s>Lu(so>se (µ = 54.8568135) D0O= 4 .2 eV a MAR 1975

9

c11s> LuC13o>Te (µ = 74.548536) O

D0 = J.3 ev
a MAR 1975
3
 aA-type doubling b.vef = + 0.0052xJ(J+l) - ••• • Luo (continued)1
b13 = + l.4x10-6: H0 = + 3.ox10- 10 •
c e -6 (1) Watson, Meggers, JRNBS 20, 125 (1938).
weye = - 0.51; fe = - 0.0018; ~e = + l.Jx 10 : (2) Gatterer, RS 1, 153 (1942).
H0 ~ + 2 x lo-10. Perturbations by E 1 L:, constants in (J) Gatterer, Krishnamurty, PPS A .2...5., 151 (1952).
the Table are effective values. (4) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
di\.-type doubling ll.vfe(v=l) = + 0.022xJ(J+l) - •••• (5) Ames, Walsh, White, JPC 11., 2707 (1967).
D1 = 45 x lo-6. Strong perturbations. (6) Smoes, Coppens, Bergman, Drowart, TFS .2...5., 682
1
ev ~ 2 perturbed by G 2:. Deperturbed constants for v=2
(1969).
in ( 2).
f -6 (7) Suarez, JP BJ, 1389 (1970).
/3e=+l. 6 x10. (8) Bacis, Bernard, d'Incan, CR B £Z], 272 (1971).
gidentification uncertain.
(9) Effantin, Bacis, d'Incan, CR B ~' 605 (1971).
h weye = + 0.21, fe ~ - 0.0011, f3e = + o. 6 x10 -6 ; H
3 0 (10) Bacis, Bernard, CJP jl, 648 (197J).
+ 7. 2 x 10-10 •
iA-type doubling ll.vfe = + 0.0100 x J(J+l) - •••• LuPt: aThermochemical value (mass-spectrom.)(l).
j(S =+0.4x10-6.
(1) Gingerich, HTS J, 415 (1971).
kw:ye = + 0.03 4 , f3e = - o.6x10- 6 ; He=+ 6.0xlO-lO.
(1) D'Incan, ~ffantin, Bacis, JP B j, Ll87 (1972). LuS: aThermochemical value (mass-spectrom.)(l); recal-
(2) Effantin, d'Incan, CJP jg_, 523 (1974). culated (2).
(1) See ref. (6) of Luo.
Luo aThermochemical value (mass-spectrom.)(5), recalc. (6). (2) Bergman, Coppens, Drowart, Smoes, TFS 66, 800
bLarge spin doubling, to = (-)0.4940. v=O perturbed for (1970).
N >JO.
cRecalculated using bandheads of the B - X 0-0 and 1-0 Luse, LuTe1
sequences only. aThermochemical value (mass-spectrom.)(l).
dB v appears to depend irregularly on v; see (9).
eFrom (9). The vibrational numbering in (J) differs by (1) See ref. (2) of LuS.
-1 in both upper and lower state leading to v 00 ~ 19332.
fLarge hyperfine splitting, 4b = 0.663 cm-l (10).

393
 394
State w w x Observed Transitions References
e e
e
Design. l v 00

µ = 11.9925222 D °
0 = o. 0501 0 eVa MAR 1977 A
1 co.135 4 Jb 1 co.4Jb 1 [3.22 2 Jb C+- X, V [38048.8]b Z (4)
Continuous absorption and diffuse bands, 35050- 37600 cm- 1 , tenta-
B (lnu) B+- X, (2) (J) (4)
tively assigned to the 1 nu state arising from 1s + 1P.
A lE+ 26068.76 190.61 5 Z l.1456c 0.14799 9 0.001316idl 0.334e A~X, fg V 26138.63 Z (1) (2)* (4)*
u
X 1 E+ 0 51.121 z l.645h 0.09287 0.003776 l.217j k.t
g

2lf-M9C19>8r (µ = 18.3945343) D0 ~
O
3.J5 ev
a
MAR 1977
1
R shaded bands in the region 36800 - 39400 cm- have been variously attributed to a
2 2 2 2
n~ x E transition (3) or to a E~X E system (5); w~ ~ 223 or 272, respectively.
25877
25766.9 393.9 H 2.04 [(0.1685)]bc [ (2.332) J A+--7X, V 25887
25776.8
H
H
(1) (2) (J) (6)

0 373.8 H 1.34 [(0.1645)]b [(2.360)]

µ = 14.2268710 n0O = 3.29 ev a MAR 1977

Fragments of four band systems at 12700 (1), 25900 (2), 37060 and 40850 cm- 1 [(4), abs.].

B 2E 47630 [552.o]b H B -H, V 21136.8b

21191.9 H
H (6)

(1/2) 26523.4 491.6 H 2.54C [0.25116] (0.0018) 0.225 [2.1720]

A~X,d V
26535.89 z
A 2n (3)(5)
(3/2) 26469.4 [0.24914]e (0.0018) 0.225 [2.1808] 26481. 95 z
x 2E+ 0 [462.12] z 2.10 0.24502 0.00158 0.252 2.1991

(2"">M9'a3cs 2. !
(µ = 20.3182677) I APR 1978
One diffuse and one V shaded band at 17520 and 20659 cm- 1 , respectively. (1)
Mg 2 c aFrom the convergence of the vibrational levels v=0 ••• 12 MgBrc aFrom the predissociation in A 2 n.
of the ground state (4) including the slight extension bPartial rotational analysis of the 0-0 band (4).
(v=l3) and correction by (9). cPredissociation above v=3·
bLowest observed level, vibrational numbering uncertain.
(1) Olmsted, ZWP ~' 293 (1906).
cweye = + 0.001772. Vibrational numbering established by
(2) Morgan, PR jQ, 603 (1936).
the observed 24Mg 2 - 26Mg 2 isotope shifts (4).
(3) Harrington, Dissertation (U. of California, 1942).
dre = + o.147 4 x10-5.
(4) Patel, Patel, JP B ~' 515 (1969).
eH = + o. 23 x lo-11.
f e (5) Reddy, Rao, CS J.2 (22), 509 (1970).
Franck-Condon factors and their dependence on rotation (8).
(6) Puri, Mohan, CS 42, 442 (1974).
gObserved in Kr and Xe matrices by (6) and in Ne, Ar, N2
matrices by (11). The same authors also observe other ab-
h
sorptions probably related to B- X and C- X in the gas • MgClc aThermochemical value (mass-spectrom.); average of three
_weye = + 0.01624, weze = - 0.00061 1 • reactions (8)(9).
~ + 0. 0001068 ( v+i) 2 - 0. 00000968 ( v+i) 3. bNo clear identification of the various isotopic band
J - o.031x io-6(v+i) + o.02 1 x lo-6(v+-!)2; heads was possible.
Hv = - 0.26x 10-lO - o.os 5 x lo-lO(v+-!). cw y = - 0.025.
d e e
kTerm values of ro-vibrational levels, RKR potential func- The assignment of the emission band heads by (2) is not
tions (4)(9). For other potential functions see (7)(10). correct.
8
lLong-~ange potential studied by (5)(9). From (5). Somewhat different results in (7).

{l) Harik1-~a, PM (7) 12, 50 (1931). (1) Querbach, ZP 60, 109 (1930).
(2) Weni~,~r, JP(Paris) ~' 946 (1964). (2) Parker, PR !±1., J49 (1935).
(3) Edelh~ff, Kusch, Lochte-Holtgreven, RRP l:J., 125 (1968). (3) Morgan, PR ..2.Q, 603 (1936).
(4) Balfour, Douglas, CSP 48, 901 (1970). (4) Harrington, Dissertation (U. of California, 1942).
(5) Stwalley, JCP 2:!:, 4517 (1971). (5) Morgan, Barrow, Nature 1:.2£, 1182 {1961).
(6) Brewer, Wang, JMS 40, 95 (1971). (6) Rao, Rao, !JP Jl., 640 (1963).
(7) Brett, Chan, CJP iQ, 1587 (1972). (7) Patel, Patel, IJP 42, 254 (1968).
(8) Balfour, Whitlock, CJP ..2.Q, 1648 (1972). (8) Hildenbrand, JCP ..2,g, 5751 (1970).
(9) Li, Stwalley, JCP ..22, 4423 (1973). (9) Farber, Srivastava, CPL 42, 567 (1976).
(10) Muhlhausen, Konowalow, CP 1, 143 (1975). MgCs: (1) Barratt, PRS A 1.Q.2, 194 (1925).
(11) Knight, Ebener, JMS 61, 412 (1976).

395
 396
State Te w we xe Be &re De re Observed Transitions References
e
(lo- 4cm- 1 ) (i) Design. l voo

2lf.M9'9F µ = 10.6012334 D0O= 4 •75 eVa MAR 1977

(V shaded emission bands in the region 1800 - 1900 ll, attributed to MgF+ by (15), are due to
the B---? X transition of AlF.)
G (2i:) 74304.2 Boo.a H G~X, (V) 74343 (15)
( 22:) 6.18 )
F 57067.2 756.6 H 4.06 F+-+X, (V) 57085 (15)
Four 0-0 sequences; no details.
E ( 2n) 55694.9 775.9 H 4.oo E~X, (V) 55722 (15)
D ( 2n) 54263.6 792.3 H 4.38 D~X, (V) 54299 (15)
c 2r;+ 42538.9 [813.10] z (5.04) 0.55102 0.00449 [o.00991Jb 1.6988 Ct- X, c v 42589.64 z (3)* (6)
B 2r;+ 37167.3 [750.94] z (5.60) 0.53844 0.00510 [o.01083]d 1.7185 B~X, e V 37187.45 z (1) (2)* (.3)*
(6)
A 2n r
27851. 2 f 746.o H 3.97
At--7X,i V 2786).7
z (2)* (.3) *
27816.1 [740.12] z o.52105g 0.00327 [o.003s]h 1. 7469 27829.60 z (6)
x 2r;+ 0 [711.69] z (4.94) 0.51922 0.00470 [o. 01oso]j 1. 7500 ESR sp.k (14)

2""Mg 1H µ = 0.96718516 D0O = 1. 34 ev a MAR 1977

1
Unidentified line structure at 42570 cm- [em. and abs., (2)(3)(8)(10)] and 43180-4J520cm- 1
[abs., (12)].
I (2Il) I
[5. 96J [2] [1.710] It- X, v 47997·6 z (12)
H ( 2i:+) R shaded band with head at 2100 R. H~X, R 47543 (Z) (12)
G ( 2i:+) V shaded band with head at 2172 R. Gt- X, v 46082 {Z) {12)
D 2i:- (42065) (l630)b [6.296]c [3.8] [1. 664 J D-?A, v 22861.5 d (6)(10)
c 2n(r) (41164) 8 [1623.4] z 6.161f 0.144 3.0 1.682 C-?A, 21956.5
d (1) (2) (7)(10)
c~x, v 41235·9 z (l)* (3)(4)
( 7) ( 8) ( 10)
(17)*
E 2r;+ {35568) [1444.8] z g
6.23 0.3oh [ 3. J]i E+- X, VR 35550.6 z {11)(13)*
1.673
(20)
B' 21:+ 22410.5 828.0 z 11.6j [2.596] k 1.21. B' ---?X, R 22081. 9 z (20)(22)
2.597
MgF: aThermochemical value (mass-spectrom.)(7); similar re- Mg~H1 aFrom extrapolations of the vibrational levels in X, A,
sults can be obtained from (4) and (5) with the use and B'. Close agreement with the theoretical value of
of appropriately revised auxiliary data. (21), D0 = 1.25 ev.
bD = O. 00984 x 10 -4 • bEstimated from w2 =4BJ/D and from the observed isotope
1
cFranck-Condon factors (8)(11). shift of the 0-0 band.
dD == 0.010 8 5xl0 -4 • cSpin doubling, Jrl = 0.01.
1
eFranck-Condon factors (8)(12). dAverage of the two subband origins (10).
fA = + 37 (6)(13). The regular character of this state eA 0 = (+)3.7; (17) gives -J.7 but his arguments are not
is suggested by the theoretical calculations of (9) conclusive.
(13) and supported by the analysis of the ESR sp.(14). fThe P and R branches of the C ~ X, 0-0 band break off
gForA-type doubling constants see (6) and (13). above N'=lOs bands with v• > 0 have Q branches only. The
. D1 = 0. 0078 x 10 -4 •
h predissociation is caused by B' 2E+; see (20) •
1
Morse potential Franck-Condon factors (10). g~G(J/2) = 1490. The v=2 level was formerly believed to be
jDl = 0.01075x 10-4 • V=O of a new 2E state (B 2 E+), see (4)(5)(9)(10). Simi-
kln Ne and Ar matrices at 4K. larly, {11) assigned the 1-0 band as 0-0 band of a new
(1) Jevons, PRS A 122, 211 (1929). system Ff- X.
{2) Jenkins, Grinfeld, PR !±2,, 229 (1934). hB 2 (see g) = 5.448 • Transitions to v=l are discrete but
(3) Fowler, PR 22,, 645 (1941). those to v=2 are diffuse indicating that the state causing
(4) Ehlert, Blue, Green, Margrave, JCP 41, 2250 (1964). the predissociation [B' 2 ~+, see (20)] crosses the E state
(5) Murad, Hildenbrand, Main, JCP !±2,, 263 (1966). potential curve between v=l and 2. Emission from v=2 has
(6) Barrow, Beale, PPS .2.J:., 483 (1967). been observed at high pressure.
iD. 1 = 4 .ox 1 o-4 ; D 2 = 2.7 1 x10 -4 , H 2 = + 8. 6 x10 -8 (see g ).
(7) Hildenbrand, JCP 48, 3657 (1968).
(8) Maheshwari, Singh, Shukla, JP B 1, 993 (1968). JThe equilibrium constants in (22) do not reproduce the
(9) Walker, Richards, JP B 1, 1061 (1968). observed intervals, probably owing to an error in weze.
(10) Singh, Shukla, Maheshwari, JQSRT 2, 533 (1969). De~ 10900 cm- 1 (22).
k
(11) Rao, Lakshman, JQSRT 10, 945 (1970). Bv(V=l,2,J,4 ••• 9) = 2.605, 2.618, 2.608, 2.592 2.419:
(12) Rao, Lakshman, Physica 46, 609 (1970). Be = 2.585, but the higher order constants of (22) do not
(lJ) Walker, Richards, JP BJ, 271 (1970). reproduce their data. Small perturbations by A 2 n. RKR
(14) Knight, Easley, Weltner, Wilson, JCP ..21, J22 (1971). potential curve (22). See also (24).
t
(15) Novikov, Gurvich, JAS 14, 820 (1971). foe ~ + 0 .13 x 10 -4 •
(continued on p. 398 )

397
 398
State Te we wexe B ae De re Observed Transitions References
e
(lo-4 cm- 1 ) (i) Design. l voo

24-Mg'H (continued)
A 2n r 19226.8
m 1598.17 z 31.08 n 6.1913 0.1931° 3.60P 1.6778 A~X,qr V 19278.4 d (6)(10)(16)
5 (17)(23)
x 22:+ 0 1495.20 z 31. 889S 5.8257 o.1s59t 3.44P 1. 7297 ESR sp.u (19)

24-Mg2H µ = 1.85807372 D00 = 1.36 eVa MAR 1977

G 22:+ [3.26]b [o.8] [1.665] G-+X, v 46071.4 z (6)
D 22:- (42080) (1180)c [3.273] [1.0] [1.665] D-+A, v 22860. 0 z (4)
c 211 (r) (41180) [1140.l] z 3.256de 0.073 0.92 1.669 C-+A, v 2194of (4)
c~x, v 41214.2g z (1) (3) (4) (8)
22:+ h h
E [3.20] [1. 684] E~ X, VR 35549.0 z (5)*
j
B' 22:+ 22410.3 597-5 z 6.o/ [1.350] o.25k 2.596 B'-+X,i, R 22172.7 z (10)
A 211 r 19235. m 1154.75 z 16.67 n 3.2190 0.06795° o.964P 1.6788 A~X, v 19273-71 gz (2)* ( 8) ( 9)
5 5
x 22:+ 0 z 16.l2q 3.0306 o.06289r s 1.7302
1077.89 0.921

Mg1H (continued)1
mA 0 = + 35.3 (17). r(l6) has measured the 0-0 and 0-1 bands of 25MgH and
nweye = - 0.633. These constants (for v6 3) have been 26MgH; see also (15)(18).
recalculated from the three ~G values obtained by (23); SW e y e = + 0.384, i.11 e z e = - 0.113 (23); De0 ~ 11700 cm- 1 (23).
the equilibrium constants determined by (23) do not re- t+ o.0039 3 (v+i) 2 - o.0012 3 (v+i)3. The last term was not re-
produce their data. De~ 14200 cm- 1 (23). ported by (23) but must be included for a satisfactory
0
fe = + 0.0005. Small perturbations by B' 22:+. fit to their data (v=0 ••• 6).
Pnv increases rapidly with v. urn Ar matrices at 4K.
qoscillator strength f 00 0.257 [see (23) and references
(1) Pearse, PRS A 122, 442 (1929).
given there], much larger than the earlier experimental
(2) Guntsch, ZP ~' 312 (1934).
value of (14).
Mg 1H (continued)a Mg 2H (continued)1
(3) Guntsch, ZP 2], 534 (1935). fsee d of Mg 1H.
(4) Grundstrom, Dissertation (Stockholm, 1936). gRefers in the upper state to the zero point of the Hill-
(5) Grundstr8m, Nature 1.rl., 108 (1936). Van Vleck equation.
(6) Guntsch, ZP 104, 584 (1937). hFragments of what is probably the E~ X, 1-0 band have
(7) Guntsch, ZP 1.QZ, 420 (1937). been found (7) between 36690 and 36930 cm- 1 • Two addi-
(8) Turner, Harris, PR j_g_, 626 (1937). tional levels, formerly attributed to a separate 2 L+
(9) Guntsch, ZP 110, 549 (1938). state (B 2 2:), have been identified at 39593.8 cm-l [in
(10) Guntsch, Dissertation (Stockholm, 1939). emission (4) and absorption (7), Bv = 2.862] and at
(11) Khan, PPS 7.1_, 1133 (1961). _38330.3 cm- 1 [in absorption (7), Bv-l = 2.915].
(12) Khan, PPS· 80, 209 (1962). ~De~ 11200 cm- 1 (10).
(13) Khan, PPS 82, 572 (1963). JBV(v=l,2,4,5,6) = 1.355, 1.359, 1.358, 1.354, 1.3461 Be
(14) Main, Carlson, DuPuis, JQSRT 1, 805 (1967). 1.346. No emission from v'=3 has been found. Small per-
(15) Branch, ApJ 1.22, 39 (1970). turbations by A 2 n.
(16) Balfour, ApJ 162, 1031 (1970). k~,..., ~+o.o 4 x10. -4
l e 3
(17) Balfour, JP B ], 1749 (1970). RKR Franck-Condon factors (10).
(18) Boyer, AA ]1., 464 (1971). mAo = + J5.04, Al = J6.l' A2 = J6•7•
(19) Knight, Waltner, JCP _2t, 3875 (1971). nweye - 0.18J 1 De ~ 15500 cm-1 (9).
3
(20) Balfour, Cartwright, CPL Jg, 82 (1975). ore = - 0.00122 • Small perturbations by B' 2 E.
5
(21) Meyer, Rosmus, JCP .§1, 2356 (1975). P,13 =+0.008 x10-4.
9 9
(22) Balfour, Cartwright, CJP _2t, 1898 (1976). qweye + 0.08 , w9 z 9 = - 0.029 , 4th-order fit to the ~G
5 3
(23) Balfour, Cartwright, AA(Suppl.) 26, 389 (1976). values of (9) whose equilibrium constants do not satis-
(24) Sink, Bandrauk, Henneker, Lefebvre-Brion, Raseev, factorily reproduce their data. DO ~ 11500 cm- 1 ( 9).
r e
CPL .J.2., 505 (1976). Ge = - o. 00144.
4
s + 0. 012 x 10- ( v+t) + • • •
Mg2tt1 8From the value for Mg 1H, in good agreement with an
extrapolation of the ground state vibrational levels. (1) See ref. (J) of Mg1H.
bR branch breaks off at N'=l2. (2) Fujioka, Tanaka, Sci. Pap. IPCR (Tokyo) JQ, 121 (1936).
CSee b of Mg 1H. (J) See ref. (8) of Mg 1H.
dB(R,P) - B(Q) ~ + 0.008. (4) ••• (7) See ref. (10) ••• (lJ) of Mg 1H, respectively.
9
(4) reports breaking-off of P and R branches in the (8) See ref. (17) of Mg1H.
C ~x, 0-0 band above N'=14. No line broadening is ob-. (9) Balfour, Cartwright, CJP .5.J, 14?? (19?5).
served in the absorption spectrum (8). (10) See ref. (22) of Mg 1H.

399
 400
State Te w
e w x
e e B
e tre De re Observed Transitions References
(10-4cm-1 ) (i) Design. l voo

2 '*-M9 1H+ D00 = (2.08) eva MAR 1977

B lll 50476 [527.J] z [3.38o]b 0.283 [4.7JC [2.271] B,X,d R 49898.6 z (J) (5) (8)
A lE+ 35904.52 1135.8 z 8.18le 4.3295 0.068034 f 2.51og 2.0064 A-+X, dh R 35628.81 z (1)(2)(5)(7)
(8)*
x lE+ 0 1699.1 z i 6.3870 0.18194j J.664k 1. 6519
Jl.935

c14>Mg 2H + D00 = (2.1 1 ) evl MAR 1977

A lE+ 35902.6 817.0 z J.47m 2.252 o.024 n
3
o.64 2.007 A-+ X, R 35701. 0 z (4) ( 6)
x lE+ 0 1226.6 z 16.30° J.J24 o.o66l 0.96 1.652

c24>Mg1211 (µ = 20.1724379) 0
DO= (2.92) eVa MAR 1977
D 26680 295 H 0.5 D,X, 26670 H (J)
c 26099 270 H 0.72 C-+X, 26076 H ( J)
B 25612 295 H B+-tX R 25602 H (l)(J)
A 24)19 323 H 1.0 A~X, v 24)22 H (1)(3)
X ( 2E) 0 Jl6 H 0.50

APR 1978
M9(39> K
c11t-> (µ = 14.8461445) One R shaded and two V shaded absorption bands at 15264 and
en> M923N a.
c1"">Mq<ssJRb
(µ

(µ
= 11.7384318)
= 18.7022250)
19411, 21678 cm-1.
V shaded absorption band at 18895 cm -1

V shaded absorption band at 21144 cm -1

) (l)*
MglH+, Mg 2H+1 MgI1 aFrom an ill-defined threshold for dissociative photo-
aExtrapolatio~ of vibrational levels in X 1 L and A 1 L. ionization, and from the heat of atomization of MgI 2 ,
b 13 ( R , p ) - B ( Q) = + 0. O04 • using an assumed value for the ionization potential of
c -8 MgI (2).
H = - 8 x 10 •
0
dThe spectra of the isotopes 2 5Mg 1H+ and 26Mg 1H+ have (1) Morgan, PR j_Q, 603 (1936).
also been analyzed (8). (2) Berkowitz, Chupka, JCP !±2, 1287 (1966).
ew y. = - 0.147 , w z = - 0.0078 8 ; D ~ 18000 cm- 1 • (3) Puri, Mohan, Prama9a ~' 171 (1975).
f e e 9 e e e
+ 0.000039 8 (v+t)2 - 0.0001208(v+t)3. RKR potential
curve ('8). MgK, MgNa, MgRb i
gH = + 1. 82 x l0- 8 ; higher order constants in ( 8). (1) Barratt, PRS A .!Q.2, 194 (1925).
hR~R Franck-Cohdon factors (8).
i.weye = - 0.1 88 , weze = - 0.020 4 ; De0 ~ 17000 cm -1 •
2 4
J+ 0.00020 2 (v+t)2- 0.00062 9 (v+t)3+ 0.000045 7 (v+!)4-
0.00000235(v+~)5. RKR potential curve (8).
kH = + 2. 07 x lo-8; higher order terms in ( 8) •
J, e 1 +
From the value for Mg H •
mweye - 0.117•
nre = - 0.00031 from the average Bv values of (4)(6).
0
we y e - 0.167.
Pre - 0.0009; see n.
(1) Pearse, PRS A 1£2, 157 (1929).
(2) Guntsch, ZP Itl_, 312 (1934).
(3) Guntsch, ZP 1.Ql, 420 (1937).
(4) Juraszynska, Szulc, APP 1, 49 (1938).
(5) Guntsch, Dissertation (Stockholm, 1939).
(6) Guntsch, AMAF A]!, No. 22 (1945).
(7) Pillow, PPS A 62, 237 (1949).
(8) Balfour, CJP ..2.Q, 1082 (1972).

401
 402
State Te we wexe Be ae De re Observed Transl tlons References
(lo- 6 cm- 1 ) (i) Designo l "oo
214-M9'6Q µ = 9.59577628 Di = (3 • 53 ) e Va MAR 1977 A
G ln [40259.8] [o.522 4 Jb [2.27] [1. 8J 11·] G->A 1 z
v 36365.,.j. (22)*
G-+ X9 R J9868c6 z (22)*
F · 1n (37922) [696] H [0.5590] 0 [1.424] [1. 7728] F~X, R 3787901 z (21)*
E lE+ (J7722) [705]d H [0.5249]b [1.14] [1.829] E~Ap v 34180 HQ (27)*
E·-+Xp R 3768)0.5 z (18)* (25)*
c lE- 30080.6 632.4 z 5.2 0.5008 0.0048 [1. 27]e 1. 8729 C--+A, f R 26500094 z (4) * (10)
e 3E- Very weakly bound or repulsive state; see (19). Continuous absorp- {ef- a) (23)
D
d
lti
31::,..
1
29851.6
(29JOO)i
tion above 31250 cm- 1 by shock-heated
632.5
(650)
z .5.J
I 0.5014
(0.50)
0.0048 I
MgO in Ar/02 mixtureso
[l.26]g
I
1.8713
(1. 87)
D-+A, fh R 26272.04 z
dr+ a, (V) 26867 HQ
(10)
(lb)(23)(26)
c 3E+ (28300) The assignment of the bands to MgO is still uncertain. (c+- a)
See also (19). 25900 (23)
B lE+ 19984.o 824.0 8 z 4.?6j o.5a22k 0.0045 1.14! B--+A,m v 16500.29 z (la)-it
l.7J71
B~X,n V 2000).57 z (1) (la) (J)*
A in 3563.3 664.44 z 3.91 0.5056° 0.0046 l.18 1.8640
a 3n. (2400)P (650) (0.50) ( 1. 87)
l

x ll:+ 0 785.06 z o.5743k 0.0050 l.22q r

5.18 1. 7490

2,,.M 9 315 µ = 13.7042725 ng 6 2.4 eVa MAR 1977

a ll:+ z
23052.59 497.34 2.333 0.25518 0.00155 I 0.269 2.1956 B~X, R 23036.98 z (1) (4)*
'/.. lI:+ 0 528.74 z 2.704 0.26797 0.00176 0.276
I 2.1425
MgOr aThe dissociation energy (to Mg 1s + 0 Jp) is quite un- MgO (continued)r
certain. The value given is the thermochemical value of (J) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
(6) as corrected (19) for the presence of the low-lying (4) Brewer, Trajmar, Berg, ApJ 1.12, 955 (1962).
a3n state. From flame photometry (15) obtain 4.1 6 eV (5) Nicholls, JRNBS A 66, 227 (1962).
assuming a 3~ ground state, while (2) also from flame (6) Drowart, Exsteen, Verhaegen, TFS 60, 1920 (1964).
photometry but assuming a 1 ~ ground state obtain 4.)4 eV. (7) Ortenberg, Glasko, Dmitriev, SAAJ ~' 258 (1964).
bSeveral rotational perturbations. (8) Pesi6, PPS .§J., 885 (1964).
cSmall./\.-type doubling; intensity perturbations. (9) Prasad, PPS §..1, 810 (1965).
dData for Mg 18 o are given by (25). (10) Trajmar, Ewing, ApJ 142, 77 (1965).
e
D1 = 1. JO x 10 -6 ; Ho O. 48 x 10
-11
• (11) Main, Carlson, DuPuis, JQSRT z, 805 (1967).
fFranck-Condon factors (12)(17)(24). (12) Srivastava, Maheshwari, PPS .2.Q, 1177 (1967).
g
D1 = 1. 29 x 10 -6 • (lJ) Thakur, Singh, JSRBHU 18, 253 (1967).
hFor 180 - 160 isotope shifts see ( 10). (14) Yoshimine, JPSJ ~' 1100 (1968).
iA ~ - 25. (15) Cotton, Jenkins, TFS .§.2, 376 (1969).
jVibrational isotope shifts for 24Mg 18 o and 26Mg 16 o (8). (16) Main, Schadee, JQSRT 2, 713 (1969).
kRKR potential functions (lJ). (17) Gandara, Schamps, Becart, CR B ~' 1213 (1970).
£
foe=+ 0.025xlO
-6
(18) Singh, JP B ~' 565 (1971).
mFranck-Condon factors (5); oscillator strength (11)(16). (19) Schamps, Lefebvre-Brion, JCP 2£, 573 (1972).
nObserved in absorption in shock-heated Ar/0 2 mixtures (20) Dube, IJPAP 11, 445 (197J).
containing MgO (2J). Franck-Condon factors (5)(7)(9); (21) Singh, JP B Q, 1339 (1973).
oscillator strength (11)(16); dependence of transition (22) Singh, JP B Q, 1917 (1973).
moment on r from measured intensities (20). (23) Evans, Mackie, CP .,2, 277 (1974).
0
small A-type doubling. (24) Shadrin, Zhirnov 9 OS(Engl. Transl.) J§., 367 (1975).
PA~ - 50; Te is the theoretical value of (19). An ex- (25) Antic-Jovanovic, Pesic, Bojovic, JMS 60, 416 (1976).
perimental value of 3200 ! 1000 is given by (2J). (26) Schamps, Gandara, JMS 62, 80 (1976).
qfie = + o.02x10- 6 (27) Antic-Jovanovi6, Bojovic, Pe~i6, JP B 2, L575 (1976).
rTheoretical ground state properties (14); more recent
calculations of ground and excited states (19). MgS1 aFrom mass-spectrometric studies (2)(3).
(1) Lagerqvist, AMAF A £2., No. 25 (194)). (l) Wilhelm, Iowa State Coll. J. Sci. Q, 475 (1932).
(la)Lagerqvist, Uhler, AF 1, 459 (1949). (2) Colin, ICB 26, No. 9 (1961).
(lb)Brewer, Porter, JCP 22, 1867 (1954). (J) Colin, Goldfinger, Jeunehomme, TFS 60, 306 (1964).
(2) Veits, Gurvich, OS 1, 22 (1956); ·zFK J.!., 2306 (1957). (4) Marcano, Barrow 9 TFS 66, 2936 (1970).

403
 404
State Te w we x e Be De re Observed Transitions References
e tXe
(R) Design.
f voo

5"5Mn 2 µ = 27.4690232 0
D0 = 0.2J eVa MAR 1976
Absorption in the region 14400 - 16500 cm- 1 ; in Ar matrices at 10 K. w. ~ 111. (2)

ssMn798r µ = J2.J900814 D00 = J.2 2 eV a I MAR 1975

Bands in the region 15800 - 16400 cm- 1 , attributed to MnBr by ( 6)' are probably due to CaBr. (10)
Emission bands in the visible and near infrareds
b 20020.0 HQS
e e = 1.4; w~ = 295.9, w~x~ = 1.6;
Ve= 20024.6; w•e = 286.6, w'x' R (8)*
c 19705.9 HQ
R 19669.8 (8)*
d
Ve = 10682.1; w•e = 290.4, w•x•
e e = O.lJ; '""e = 291. J, w"x"
e e = 0.01; R 10681.6 HQ (7)*
v = 10667.5; J). = 295.6, w•x• = 0.62; UJ" = 298.8, w"x" = 0.61; e R 10665.9 H (7)*
e e e e e e e
A ( 7n) HQ'*' o.6 v
l
26JOJ.7f J02.J A+-+X, 26Jll. 6 HQ't (1) (2) (J)*
x ( 7 I:)

55Mn<.35>(l
0 286.7 HQ'I- o.8

0
l l (4) (5)

(µ = 21. J678872) DO = J.70 eVa MAR 1975

Emission bands in the visible and near infrareds
w• = J78, b w"e = J86, b c R 20111 HQ (8)*
Ve= 20115; e d (8)*
e =(410),
Ve =(199J8); w' =(J85)' w" R (19925)
e b b e
v e = 114-20 i w• = J85, HQ
e e = 398,
w" R 11414 (7)*
B ( 71:) 4-0807 [320] H B.- X, v 40776 H (4)
A (7n) f g
27005.0 [407.9] H A~X, v 27017.8 HQ1r (1)(2)(3)
x ( 7 I:) 0 [382.4] H
g (4)* ( 5) (6)
Mn 1 aThermochemical value (mass-spectrom.)(l). MnC!1 aThermochemical value (flame photometry)(9).
2
bThe band head analyses by (7) and (8) lead to negative
(1) Kant, Lin, Strauss, JCP !±2_, 1983 (1968).
(2) De Vore, Ewing, Franzen, Calder, CPL J.2, 78 (1975). values of wexe (~-0.5).
cQ, R, S heads; possibly quintet system.
MnBr1 aThermochemical value (flame photometry)(9). dStrong 0-0 sequence, multiple heads.
bQ, R, S heads; possibly quintet system. eMultiple heads.
cTwo sequences of double headed bands. f [A I ~ 41.
dQ, R heads; possibly additional branches. gDifferent values for wexe suggested by (J) and (6).
eSingle heads. (1) See ref. (1) of MnBr.
flAI ~ 58. (2) Miescher, Muller, HPA 1..2, 319 (1942).
(1) Mesnage, AP(Paris) 12, 5 (1939). (3) See ref. ( 2) of MnBr.
(2) Muller, HPA 16, 3 (1943). (4) See ref. (3) of MnBr.
(3) Bacher, HPA 21, 379 (1948). (5) See ref. (4) of MnBr.
(4) Rao, IJP .£}, 517 (1949). (6) See ref. (5) of MnBr.
(5) Hayes, Nevin, PRIA A j]_, 15 (1955). ( 7) Hayes, Nevin, NC(Suppl.) ~' 7J4 ( 1955).
(6) Hayes, Nevin, PPS A 68, 665 (1955). (8) See ref. (8) of MnBr.
(7) Hayes, PPS A 68, 670 (1955). (9) See ref. (9) of MnBr.
(8) Hayes, PPS A 68, 1097 (1955).
(9) Bulewicz, Phillips, Sugden, TFS .51, 921 (1961).
(10) Barrow, in DONNSPEC (1970).

405
 406

'
State w
e
w x
e e Observed Transitions References

l Design. l voo

µ = 14.1166531 MAR 1975

Emission bands in the visible and near infrareds
b
ve = 20298. 2 ; w~ = 637.1, w~x~ = 1.9; w~ = 649.1, w~x~ = 1.5; R 20292.1 HQ (6)*
c 20023.3 HR
R
19971.6 HQ (6)*
d R 14502.7 HQR (5)*
e 12179.6 HQ
VR 12153.6 Hp (4)*

41231.5 637.2 H 4.46 B~ X, v 41240.3 H (l)*

h
28465. 0 f 673g H 4 A+-+X, VR 28491o 9 H (1)(2) (J)*
0 618.8i H 3.01 (7)*

55
Mn'H µ = 0.98966996 °= (2.5)
n0 ev OCT 1975

Complex rotational structure from 22600 to 24000 (max. 23360 - 23920) cm-1 ; in emission. (7)*
Open but strongly perturbed rotational structure in the region 21270 - 22580 cm- 1 ; in emis- (2)* (7)*
sion and absorption. Probably quintet transition. (12)
Extremely complicated R shaded band with very dense structure centered around 20900 cm- 1 ; in (1)(2)* (7)*
emission and absorption. Probably quintet system. (12)
Complex rotational structure from 11200 to 14500 cm- 1 ; in emission. (7)*
A 7n a 17597b [1623]C (33) 6.425de 0.187 [J.62]f 1.628 A~X, v 17666C (1)(2)* (3)*
a (4) (5)* (7)
x 7r. 0 1548.0 z 28.8 5.6841d o.i57og [3.039Jh 1.7311 (8) (10)(14)

55 Mn2.H ng =
µ = 1.94287387 (2.6) eV OCT 1975
Complex rotational structure in the region 23250 - 23800 cm-1 ; in emission. (7)*
Complex R shaded rotational structure with heads at 22355 and 22564 cm-1 ; in emission and
(7)* (12)
absorption.
MnFs a.rherrnochemical value (mass-spectrom.)(8). Mn 1H, Mn 2H1
bComplex bands; R, Q heads. aFor an ab initio calculation of these two states
cTwo sequences of single heads, interpreted as R and Q see (11).
heads. bA= 4o.6 [see (14)].
~our heads. cFrom approximate origins for the F 4 component.
eSingle sequence of bands having apparently both Q and dApproximate ("effective") constants. Improved
P (or R) heads. ("true") constants for Mn 1H (v=O) together with
flAI ~ 25. spin-orbit, spin-spin, spin-rotation interaction
gAverage of (3) and (7). and !-uncoupling constants in (14). See also (9)
~Strongest head of F 4 component. (13).
1
From B- X system. ePerturbations.
(l) Rochester, Olsson, ZP 114, 495 (1939). f D = 3. 6 4 x 10 -4 ; H = 8 • 2 x 10 -9 , H = 7. 4 x 10 -9 •
1 0 1
(2) Bacher, Miescher, HPA 20, 245 (1947). gt = -0. 0019.
(3) See ref. (3) of MnBr. h e -4 8 -4
D1 =3.053x10 , D2 = J.O x 10 '
(4) See ref. (7) of MnC.l. H0 =9.3 x10 , H1 =9.7 xl0 , H2 =10. 2 x 10-9 •
-9 -9
3 9
(5) See ref. (6) of MnBr. Hv values in (13) differ by an order of magnitude.
(6) See ref. (8) of MnBr. (continued p.409)
(7) Rao, Reddy, Rao, PPS .z2, 741 (1962).
(8) Kent, Ehlert, Margrave, JAGS 86, 5090 (1964) 0

40/
 408
State w
e
wx
e e
B
e Observed Transitions References
Design. l v 00

(continued)
Complex R shaded rotational structure between 20000 and 21270 cm- 1 ; in emission and absor-
(7)* (12)
ption. Perturbations. Probably quintet system.
Complex structure in emission from 11330 to 14530 cm- 1 • (7)*
A 7n (17602) (1205)i (17) [3.244]de [9.51]j [1.635] ( 6) ( 7) * (8)
(12)
x 7r, 0 1102.5 z 13.9 2.8957d o.051 k [7.95]l 1.7310
3

ssMn1211 µ = 38.3402292 MAR 1975

A (7n) A+-X,b V (25000) (1)(2)*
x ( 7r,)

5sMn'60
0 (240) H (1.5) I
l l
µ = 12.38816716 MAR 1975 A
B B~ (X),b (38950) (6)* (8)
d
A 62: 17949 762.8 H (o.39o)d (1.868) A~X, R 17909c H (1) (J)* (4)
( 6) ( 7) (8)
x 6 r. e 0 839.6 H (o.435)d d (ll)(lJ)
(1.769)

5sMn(.32)5 (µ = 20.2103419) MAR 1975

Fragments of an additional system with w• ~ 461, w" ~ 480; b R 22J20 H (4)
B a+ 18917.4 J71.5 H l.30 B-+A,b R 18858.0 H (4) (5)
A a 490.5 H 1.78 j I J
(µ = 48.4473577 MAR 1975
Sequence of unclassified emission bands, extending from 5184 R (19285 cm- 1 ) to longer
(1)
wavelengths. Tentatively attributed to Mo 2 •
Mn 1 :~, Mn 2H (continued) 1 MnO (continued)1
iF'rom the values for Mn 1H. cweye= +0.06. Heads having v'=O are ill defined.
j
H = 1. 2 x 10
-9 • dPartial rotational analysis of the 1-0 band (lJ); spin-
0
k
r:e =-0.0020. -5 spin interaction constants ')...! ~ O, A:'= +o.66 cm- 1 • Hyper-
l
Dl = 8. 2 2 x 10 , D 2 = 8. J6 x 10- 5 ; fine broadening of all rotational lines; many bands are
-9 -9 -9 highly perturbed (12).
Ha=l.41xlO , H1=2.17xlO 'H2=2.9Jxl0 •
eMatrjx studies at 4 K (11) support the view that the
(1) Heimer, Naturw. 24, 521 (19J6).
lower state of A- X is the ground state.
(2) Pearse, Gaydon, PPS j.Q, 201 (19J8).
(J) Nevin, PRIA A 48, 1 (1942). (1) Sen Gupta, ZP .21,, 471 (1934).
(4) Nevin, PRIA A j.Q, 12J (1945). (2) Huldt, Lagerqvist, AF], 525 (1952).
(5) Nevin, Doyle, PRIA A~' J5 (1948). (J) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
(6) Nevin, Conway, Cranley, PPS A .§2, 115 (1952). (4) Das Sarma, ZP 151, 98 (1959).
(7) Nevin, Stephens, PRIA A 22, 109 (195J). (5) Padley, Sugden, TFS 22, 2054 (1959).
(8) Hayes, Mccarvill, Nevin, PPS A 1Q, 904 (1957). (6) Callear, Norrish, PRS A £i2, J04 (1960).
(9) Kov~cs, PRIA A 60, 15 (1959). (7) Joshi, SA 18, 625 (1962).
(10) Kovacs, Scari, APH 2, 42J (1959). (8) Garrett, Lee, Kay, JCP !±.5_, 2698 (1966).
(11) Bagus, Schaeffer, JCP 2§., 1844 (197J). (9) Cheetham, Barrow, AdHTC 1, 7 (1967).
(12) Smith, PRS A~' llJ (197J). (10) Coppens, Smoes, Drowart, TFS .2.J, 2140 (1967).
(lJ) Pacher, APH J.2, 7J (1974). (11) Thompson, Easley, Knight, JPC 11., 49 (197J).
(14) Kovacs, Pacher, JP B ~' 796 (1974). (12) J. G. Kay, private communication (1974).
(lJ) Pinchemel, Schamps, CJP ..2], 4Jl (1975).
MnI: a,rhermochemical value (flame photometry)(J).
bComplex system, incomplete analysis. MnS1 aThermochemical value (mass-spectrom.)(1)(2)(J).
(1) Bacher, Miescher, HPA 20, 245 (1947). bThermal emission, attributed to MnS.
(2) Bacher, HPA 21, J79 (1948). (1) Colin, Goldfinger, Jeunehomme, Nature 12!±, 282 (1962).
(J) Bulewicz, Phillips, Sugden, TFS 51, 921 (1961). (2) Wiedemeyer, Gilles, JCP 42, 2765 (1965).
(J) Drowart, Pattoret, Smoes, PBCS No. 8, 67 (1967).
Mn01 aThermochemical value (mass-spect:rom.)[Burns, quoted (4) Monjazeb, Mohan, SpL £, 14J (197J).
in (9)(10)]. Flame photometric values are approximately
(5) Biron, Boulet, Ruamps, CR B ~' 835 (1974).
4.1 eV (2) (5).
bSeemingly continuous absorption, strongest in the region Mo 1 (1) Becker, Schttrgers, ZN 26 a, 2072 (1971).
2
J8800 - J9100 cm- 1 ; some indication of band heads. It is
not certain that this system is due to MnO.

409
 410
State Te Ul
e wexe Be «e De re Observed Transitions References
(R) Design.
l voo

C9a>Mo'9F {µ = 15.9109144) 0
D0 = 4.78 eVa SEP 1976

c9a> Mo 1""N ~ (µ = 12.25087J9g) MAR 1975

14 R shaded emission bands in the region 15840 - 16690 cm- 1 , most of them previously be-
lieved to be due to MoO (1), have been attributed (J) to a nitride, MoxN, of molybdenum (1) (J)
on the basis of observed 14N;1 5N isotope shifts.

C9s>Mo'60 (µ = lJ.74876422) D00 = 5.0 eVa MAR 1975

Emission bands at 15J58, 15511 cm- 1 (open structure),
11631 cm -1 (V)' (l)(J)
11549, 11606, 11626 cm- 1 (R)
are believed to be due to an oxide of molybdenum. Bands in the region 159)0 - 16690 cm -1
'
previously attributed to Moo, are due to MoxN.
l
MoFs aThermochemical value (mass-spectrom.){l).
(1) Hildenbrand, JCP §2., 614 (1976).

MoN, Moos
aThermochemical value (mass-spectrom.)(2).
(1) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
(2) De Maria, Burns, Drowart, Inghram, JCP lf., 1373 (1960).
(3) Howard, Conway, JCP ~' 3055 (1965).

411
 412
State T w w x Be «e De re Observed Transitions References
e e e e
(lo- cm- 1 ) (i) Design. l voo

,,..N2 µ = 7.00153720
0
Do = 9.7594 eV
a
I.P. (Jog) = 15.5808 evb FEB 1977 A
(lvu) = 16.6986 evbc
( 26'u) = 18.7507 evb
d
( 26'g) = J7.9 eV
(lsN) = 409.9 8 eveI
For a very detailed and critical review of the spectrum of molecular nitrogen and its ions see the recent publication by Lofthus
and Krupenie (196). Atlas of the VUV absorption spectrum 1060-1520 ~and table of absorption lines (87). Tables of band head
wavelengths (39)(48)(196). Photoionization and absorption cross sections (45)(57)(147). Potential functions (60)(68)(182)(196).
Several Rydberg series (excitation of lsN) with limit (K edge) at 409.5 eV.
X-ray absorption (Jst)'f- lsN). I
x"+- X,405.59 eV } (114)(166)
(173)(174)
X-ray absorption and emission (l'lrg~lsN), broad peak.f 400.84 eV
x'f-+-X,
Photoionization and dissociative photoionization processes corresponding to various excited states of N2 + • g (177)(194)
v 1 ng From high-energy electron impact spectroscopy. I vE- X, 253000 (180)
Fragments of other progressions and unassigned bands, 198000- 207000 cm- 1 •
(18J640) ( 2100) ( 15) } h u f- x (18J510) } (76) (16J)
First two members of Codling's Rydberg series. 5 '
(178565) (2070) (15) U4<r X, (178420)
+
Hopfield's Rydberg series converging to B 2 Eu(v=O) of N2+ i
2
R/(m+ 0.141- 0.199/m) , m = J ••• 11 (apparent emission series)i (1)(4)*
v = 151233 - { 2 jk.t (37)*
R/(m-0.070-0.041/m), m = J ••• 20 (absorption series)
I 2 +
Worley• s ("third") Rydberg series joining on to o , o4 , o and converging to A nu~ (v=O) of N 2 :
5
v = 134721 - R/(n-1.06) 2 , n = J ••• 16.mnop
3
I (8)(J7)*
(190)*
2
Ogawa and Tanaka's Rydberg series Joining on to o4 , o and converging to A nuf(v=0) of N 2 +1
2 2 5
••• 25U 1Tr3
U 3""'
ug ns6' q v = 1J4644 - R/n* 2 , n* = 2.84, J.85, 4.86, ••• , 14.91.mnop (J?)* (190)*
Several dissociation continua in the region 100000- 160000 cm- 1 • (105)(156)
Several unidentified bands in the region 126100 - 131550 cm-1 • (51)
 State Te w
e w x
e e Be ae De re Observed Transitions References
(10- cm- 1 ) CR) Design. 1 voo

'4-N 2 (continued)
Sr 1JJJ55 1885 H (12) "new progression 4" 0 s~x,
1JJ119 H

rr
1JJJ16
1J2878 1903 H (15)
IOgawa's "new progression J" OS r+- X, R
1JJ080
1J2650
H
H
qr
p
r
1J21J6
1291J6
1900
1869
H
H
(18)
(10) I
aFrom the predissociation in C Jnu assuming dissociation
l
"new progression 2" OS
"new progression l" OS

jSimilar series with v'=l.

q+- x,
p +- x
t
R
1Jl906
128892
H
H
) (51)

into 4 s J/2 + 2D • The la test ab ini tio calculation of kThe first three members at 1J8JJO, 144090, 146690 cm-l ·are
512
the ground state gives D = 8.58 eV (188). very broad (presumably because of preionization), the high-
b e
From the Rydberg series. er members are sharper and shaded to the red. No rotational
c
Average of the two limits corresponding to 2 Il3 and 2 Il 1 • structure has been resolved. Preionization also observed by
d + ! 2
From the data on N2 • electron spectroscopy (162)(195).
eFrom x~x of N + and I.P.(N 2 ); the extrapolated K limit tOscillator strengths from absorption coefficients1
2
is 409.5 eV (114). f(m=3,4, ••• ) = 0.0131, 0.0053, ••• (126).
fconfirmed by electron-energy-loss measurements (lJO). mSimilar series for v'=l [observed to n=45 ( 2 n 1 ) and n*=40.2
Preionization to X 2L; and A 2 nu of N2+ observed by Auger ( 2 Il3)] and for v'=2 ••• 7 (190).
2

electrons of J84.7 and J8J.8 eV (119). ncor~esponding series in l5N 2 (51).

gAbsorption cross sections 140000-500000 cm-l (16J)(l65).
hThis series, of which only two members have been observed,
probably converges to C 2 L~ of N2+. In u 4 v=l ••• lJ, in u
5
v=J ••• 8 have been observed, but the vibrational numbering
in both states is uncertain. Evidence-of preionization.
iLongward of the apparent emission "lines" are close-lying
fairly sharp absorption "lines" (J?). Both features belong
to the same Fano shape produced by the interaction of the
series of Rydberg levels with the continuum joining on to
the A 2n (or, less likely, X 2 2:) limit.
0
Preionization observed in photoionization studies (58)(105)
(161).
Ppreionization in absorption series having v"=l ••• 4 was ob-
served in active nitrogen using the photoionization tech-
nique ( 146) •
qinterpreted as ••• ndo by (112).
rThese designations should not be confused with the older
designations of component states of b 1 nu and b' 1 L~.
sPreionization also observed by electron spectroscopy (162)
(195).
tLine-like, not shaded.

413
 414
State Te w
e
w x
e e Be «e De re Observed Transitions References
(lo- 6cm- 1 ) (i) Design. l voo

i""N2. (continued)
1 HQ
o5 nu (127868) (19J5)a (19) 05~ x, R 127655 (37)* (190) *
05{3nu> 12744.5 1925 HQ 18.4 I I I 05+- x, R 127227 HQ (37)* (190) *
Rydberg series converging to X 2E;(v=0) of N2+,
• lE+ • •• l'lru4 36"gnp6 b I - Carroll and Yoshino's series joining on to c4, c 5· c'n f- X (88)(144)*
en u
(186)*
1 4 b _ Ledbetter's series c 4 , c , c6 • (151)*
en nu • • • 11Tu 36"'g npfr 5 en t- a"
- Worley and Jenkins' series joining on to c , c 4 ;
3 2
v = 125666.8c - R/(m + o. 3697 - o. J459/m + o. 5J2/m2 - o. 96o;m4) , c +- X def (5)(37)*
n ' (144)*(186) *
m{:n-1) = 2 ••• Jl.
1 122419 H [1. 7JJ8]g [4] z (37 )(184)
o4 nu [1824.1] [1.1784] o4 °'"" X, R 122155.4
04(Jnu) 121263 1982 H 27-o 04 +- x, R 121071.1 H {3?)
• lE+
C5 1 U (115876) [2221.8] z h
[l.J4.5]1 c5+- X, R 115849.8 z (118)(144)*
c4 nu 115635.9 2220.3 z 19.4 [1. 9261Jj 0.015 [6.3]j 1.116 C4+-a", 16725.12 z (151)*
lA progression of six bands (v 11 =l-6) arises from c4 (v'=0)-+a, (11)] C4+- X, R 115.565.53 Z (144)*{151) *
z lt:. (1154J5) (1700) 1.761 0.0153 1.169 z~w, v 4J4ll.2k z (25)
g
y ln 114305.2.l 1906.43.l 37-51.l 1.739.tm 0.017.l (5.8) 1.177 y-+w, v 42467.5n Z (26)* (175)
g Kaplan II s.
y-+a', v 46426. 7n Z (26)* (175)
Kaplan I s.
k ln (113808) 0 [2182.32]1. 1.959.l 0.031£. (.5.9) 1.109 k-+w, v 419J2.4n Z (175)*
g
Carroll-Subbaram II s.
k-+a', v 4589l.7n Z (175)*
Carroll-Subbaram I s.
x lE- 113438. 0 1910.0 z 20.7 1. 750P 0.0225 (6) 1.173 x-+a', v 45472.8 z (9)(23)*
l ~ 5th pos. gr. (172)
Eu or
d'
lb [112500] Only v'=O observed. d •-+a, 42J7J H {11)(12)(106)
{ 11
 State Te (.I)
e
w x
e e Be ae De re Observed Transitions References
(lo- 6 cm- 1 ) (~) Design. l voo

llD-N
( 2 (continued)
OJ lrr u 105869q 1987.4q 16.Jq l.7JJ9q o.oo88q (5.3) 1.1784 o
3
~a, v 36731 (1J)(l5)
r R 10568J ( 8) ( 181+)
OJ~ X,
H 3¢u (105720)s 924.21 z 12.29t 1. 0873 0.0191 [7.o]u 1.4881 (H ~?) v 12407.2 H (17)(18)
H~G,w v 17897. 08x Z (10) (11) (19)
Gaydon-Herman green s. (145)*

aVibrational intervals decrease irregularly; V=O was shown
[by electron spectroscopy (195)] to be preionized.
bFor higher n values en and c~+l lie close together and
interact strongly (!-uncoupling). Band structures for n
5 ••• 12 have been discussed (144)(154)(186).
cThe limit according to Yoshino [see (196)] lies at 125667.5
cm- 1 but is estimated ( 196) to have an uncertainty of 5 cm- 1•
dSimilar series with v'=l.
eCorresponding series in l5N 2 (51).
fsee P on p. 413.
gOnly v=O [perturbed by c6(v=l)] is sharps bands with v'=l,
2,3 are diffuse owing to predissociation or preionization
(levels with v ~ 2 are above the first ionization potential).
h
6G(3/2) = 2119.7, see i •
istrong homogeneous perturbations with the higher vibrational
levels (v~l8) of b' 1 r:~ (144). The B0 value is an effective
value at low J; Beff(v=l,2) = 1.28 , 1.17 3 • In addition,
5 D1 2 (10 cm ) = 4.5, 6.o, 5.0 (145). See, however, (164).
there are heterogeneous interactions with the close-lying
levels of c 4 1 rr • For deperturbed constants see (152)(152a).
. u +
Jconstants for Il- (151); B0 (Il ) = 1.906. ae from (144).
kRe-evaluated from the origin of the 0-2 band. (25) gives
4J667.o which was undoubtedly calculated with the constants
of the a rather than of the w state.
!Strong homogeneous interaction between k 1 ng and y 1 ng. The
constants given are the deperturbed values from (175) and
refer to n-, the only component observed in k 1 ng.
mPredissociation of the n+ component above J=lO of v=O.
A-type doubling and predissociation discussed in (189).
nNot deperturbed.
°From the deperturbed T00 = 11J72J.58.
Ponly v'=0,1,2 observed. Predissociation (weakening of emis-
sion) at v'=2, J'~l5 corresponding to the limit 2D+ 2D (JJ);
actual breaking-off occurs at J'=25. See also (189).
qDeperturbed constants (184). Homogeneous interactions with
levels (v ~ 6) of b 1 nu and heterogeneous perturbations by
rOscillator strenghts (147). I
b' 1 r:~.
8
A0 ••• A = -12.07.3 ••• -12.094 (145); see also (164).
3
tw y = - 0.173.
u e e -6 -1
3
vFr~~ent of near infrared spectrum, 6G"{i) ~ 712.
wFranck-Condon factors and r-centroids (171).
xFrom a more detailed theoretical treatment (164) derives
v 00 = 17902.400.

415
 416
State w we xe Observed Transitions References
l
e
Design. v 00

l'+N 2. (continued)
1
c4 E~ l04519a 1.1080 c4-+ a, VR J5J71. 2 z (12)(25)
Gaydon-Herman b.
c4 ~-n, b R l04J2J. :f z (55)(88)(104)
2192.2od l.ll6J Ic ->a, e Ry J518?.0
3
c ~X,
(Z)
(106) (ll8)
(15)
3 R 1041J8.2f Z (104)(106)
l.44J9 lb'-+a, R i . (25)
b'·~-H, R lOJ67J.8J Z (22)(118)
Birge-Hopfield b.
D Only v=O is observed [1. 961] [20] Dk-+B, V 44264./ Z (6)
4th pas. gr.
b (101675) [29]P b-+ a, R Jl865. 7 (Z) (9)(ll)(25)
Gaydon-Herman b. (172)
b~X, e R 100816.9 Z (104) (184)
[100016. 0 ] [i.9133y [1.1218] a"~ X, 8 98840.JOr Z (llJ)
u
98351t 791 JJ.5 [l. 0496] [1. 5146] C'~B, R J8255.5W Z (44)* (191)*
I Goldstein-Kaplan b. (198)*

8neperturbed constants (152)(152a)J weye = + 0.7874. Strong
perturbations produced by interaction with b' 1 E~; before
these perturbations were recognized (106)(106a) the vibra-
tional levels were attributed to independent states called
p •, r', k, s', h, h', h", h111 • The observed vibrational in-
tervals (from band origins) and rotational constants for
v=0,1,2,3 ••• ares
6G(v+~) 2046.2, 2175.5, 2112.2, 2111.7
Bv = 1.929, 1.711, 1.436, 1.594 •••
bRadiative lifetime T(v'=O) = 0.9 ns (80)(99)1 oscillator
strengths (98)(147).
cObserved v 00 , not deperturbed.
dDeperturbed constants (152)(152a). Strong perturbations
produced by interaction with b 1 nu; the observed vibrational
intervals (from band heads) and rotational constants for
v=0,1,2, ••• are1
6G(v+!) 2401, 2146, 210J, 2042;
Bv(n-) = 1.516, 1.755, l.81J [see (104)(152a)].
N2 (continued) 1
eOscillator strengths (98)(147).
f ~uoted from ( 196); not· deperturbed. ( 106) p;i ves 1041J9.
gDeperturbed constants (152)(152a)1 weye = + O.l09J, •••
te = - 0.0000750, •.• Strong perturbations on account of
interactions with c4, c5 1
L~. Before these perturbations
were recognized (104)(106)(106a)(ll8) several of the vi-
brational levels were assumed to be independent states
called b', g, f, r, s, t, u by (8). The observed vibra-
tional intervals (from band origins) and rotational con-
stants for v=O, 1, 2, J, ••• are 1
6G(v+~) = 744.9, 732.9, 717.6, 777.7, ••• }highest obs'd
Bv 1.1515, 1.15, 1.142, 1.152, ••• level V=28.
Intensity perturb. in the electron energy loss sp. (108).
hThe b'~X absorption bands show diffuseness indicating
predissociation for v'=20, 21, 22 (118). Emission bands
have only been observed to v'=9. For v'=5 and above J'=l2
an intensity anomaly suggesting inverse predissociation
has been observed in emission (56); it corresponds to the
limit 4 s + 2P. Selective emission from v'=O, 2, 7 in dis-
_charges in Ar and Kr with traces of N2 (94).
~Only the 7-0 band was observed at v 0 = 40000.7 (25).
Jobserved band origin, not deperturbed.
kLifetime •T( v=O) = 14 • l ns ( 159). Franck-Condon factors ( 110).
1 Extrapolated from Q (J) of the 0-1 band.
2 uB 1 (obs.) = 1.2056, B1 (depert.) = 1.026. Strong mixing of
m6G(~,~, ••• ) = 700.0, 711.9, 685.2, 1151.4, 646.2, •••
[(104), from band origins]. (152)(152a) give the deper-
turbed constants we = 461.0l, wexe = - 1J2.257, weye =
- J5.005, weze = + 5.822, ••• ; seen.
nBv(v=l, 2, J ••• ) = 1.4086, l.J87 2 , l.J81 , l.42ly ••• (104);
5 v
(152)(152a) give the deperturbed constants Be= 1.4601,
ae = 0.02624, fe = - O.OOJ62, ••• Strong perturbations on
account of interaction with the c 1 nu and oJ 1 nu Rydberg
3
states. Before these perturbations were recognized (104)
(106) several of the vibr. levels were assumed to be inde-
pendent electronic states called i, j, b, 1, m, p, q (8).
Intensity perturb. in the electron energyloss sp. (71)(108).
0
The lines of absorption bands with v'=0,2,J,4 are broadened
on account of predissociation (especially v'=J); correspon-
ding emission bands have not been observed. The state cau-
sing the predissociation is probably C' Jnu (104); see,
however, (1J7) who find that an additional diffuse level,
very likely the still missing OJ Jnu (v=O) level at fV lOJOOO
cm- 1 , is required to explain the broadening of. v'=J.
PEffective (perturbed) D 0 value.
qFrom the deperturbed Be (seen).
rFrom Rydberg series having a" as lower state (151).
sFirst thought to be observed as quadrupole absorption (90),
later recognized as pressure-induced dipole transition re-
presented by a broad diffuse absorption band at IV 99005 cm- 1
(llJ); note the large pressure shift of +165 cm- 1 • The
electron energy loss spectrum (81) shows a peak at 12.25eV.
L;
Another 1 state, non-Rydberg in character, is predicted
to intersect a" not far from its minimum (129).
tA 0 = 2. 10 , recalculated by (191) from the data of (44) who
obtained 1.151 A1 = 2.7J, deperturbed value (191).
C'(v=l) with C(v=5). Deperturbed constants and RKR poten-
tial functions are given by (191) who have analyzed in de-
tail the C'(v=l)~B(v=5) band for 14N2 , 14N1 5N and l5N 2 •
The perturbing level C(v=5) was recently observed by (198)
in absorption from B(v=6).
-10
H0 = 8. J x 10 •
wv 00 = J8296.75 in (44) refers to the F 1 component.
417
 418
State Te m wexe Be «e De re Observed Transitions References
e
( lo- 6cm- 1 ) (i) Design. l voo

j~N
I 2 (continued)
Jr;+
E
g (95~58) [2185] H [1. 927 3J [6.o] [1.1177] E-+ B, v 36467.9 {Z) (107)
E-;.A, v 46019.72 z (169)*
Herman-Kaplan b.
E+- X, a

C" 5n
u (93500) Arising from 4 s + 2D1 according to (72) responsible for the main predissociation in C 3nu.
c Jn u 89136.88b 2047.17 8 z 28.445 0c 1.82473d 0.01868° 1.14869 Cf -+B,g V 29671.0 z (la)(29)(J) *
2nd pos. gr .. (15a)* (53) *
c~x,h R 88977.89 z (21)(54)
Tanaka b. (67)*
G 3t,. (879oo)i [742.49] z 11.85 (H) 0.9280 0.0161 l.6107
g. [5.oJ
A' 52:+g (78800)j (650)j [For more recent results of an ab initio
calculation see (199).] (l.55) j
w lt,. 1559.26k H 11.63 l.4981, w~a,m R
u 72097.4 0.0166 1.268 2747.29 z (84)
McFarlane IR b.
w+- X, hn R 71698.4° z (54)(155)
Tanaka b.
a lii
g 69283.06 1694.203 z 13.9491P l.6169q Oe0l793r (5.89) L220J a-+a',m V 1212.28 z (62) (BJ)
McFarlane IR b.
as~x, t R 68951.20 z ( 64)* (121)
I Lyman-Birge-Hopfield b.
a• li:- 68152.66 1530.254 z 12.0747u l.4799 0.01657V (5.55) l.2755 a··~--H,w R 67739.31 Z I (30)* (65)*
u
I
Ogawa-Tanaka-Wilkinson- (103)(183)
Mulliken b. I (155)
N2 1 aResonar.ce-like electron impact excitation function centered socia ti on limit at 979 38 cm -l {4s + 2n). A second prediss. in
at 12.2 eV with a half-width of 0.4 eV (14J). Lifetime of high-pressure discharges (when the first prediss. disap-
bA = 39.2 {2a). j the E state 190 µs (1J2). pears) has been found in v'=2 and J above N'=80 and 67, res-
c~ y = + 2.038J , ~ z = - 0.5350, pectively (7). According to (72) the first predissociation
d ~ e 3 e e
Breaking-off on account of predissociation (J) in v'=l, 2, is caused by C" 5nu, the second by C' Jnu. Predissociation
J,4above N'=65,55, 4J,28, resp., yielding an accurate dhi- in l5N 2 (50). Intensity perturbations (la)(Ja)(Jb).
N2 (continued)1
e - 0.00228(v+~) 2 + 0.0007JJ(v+~)J- 0.00015(v+~) 4 •
fLifetimes for v=0,1,2 vary between J5 and 41 ns (128)(1J6)
(160) (178) (192). For f values of C- B see (47) (52).
gThe head of the 0-0 band produces laser oscillation; high
resolution measurements of the laser lines (101), see also
(91). An anomalous intensity alternation has been observed
by (100), see also (9J). C(v=5)~B(v=6) band in absorption
(198). 14N1 5N and l5N 2 isotope shifts (J4). RKR Franck-
Condon factors (7J)(77), dependence on rotation (117). In-
tegrated band intensities (JS). Dependence of the electro-
nic transition moment on r (1J9)(150); absolute transition
probabilities (1J9).
hRKR Franck-Condon factors (73)(75)(196).
iA 0 = - 0.21, A1 = - 0.25. All constants for this state are
from H-+ G (145); for a more detailed theoretical treatment
and somewhat different constants see (164).
jFrom the predissociations in a and B (42); see also (27)
(43). The dissociation energy of this state is estimated
to be between 850 and 1100 cm- 1 • Acoording to (Jl) the 5~+
g (73)(75)(196). From intensity measurements and the Franck-
state plays an important role in the mechanism of the
Lewis-Rayleigh afterglow of nitrogen.
kvibrational constants from the absorption spectrum (54),
good agreement with band origin data for k~w (175).
£Rotational constants from y-)w (26).
mAppears in stimulated emission.
nThe w~X Tanaka bands appear diffuse even under high reso-
lution (197) indicating that this is a pressure-induced
transition which has apparently no measurable spontaneous
transition probability (187). Observed in solid N2 by (92).
°From v 00 (a-X) +v 00 (w-a) (84). The value from the w~X
absorption spectrum is 71740.3 (head) indicating a pressure
shift of rv +40 cm- 1 1 compare with a"~ X.
P~ y = + 0.00793 , w z = + 0.000291, from (64); (196) give
e e 5 e e
very slightly different numbers.
qSmall A-type doubling, )q 0 j = 0.00010 (84). Breaking-off at
low pressure above v=6, J=lJ for bo·th A components because
of predissociation (16). The state causing the predissoci-
a tion is 5~+ from 4 s + 4s.
r g
te = - 0.000029 3•
sThe lifetime is about 100 µs but depends strongly on v.
Non-exponential decay because of radiative interactions
with a' 1 ~~ and w 1 6u (148). See als-o (89)(140) who give
f values.
tThis transition has both a magnetic dipole and an electric
quadrupole component (28)(69), see also (140). Observed in
absorption in solid N2 by (92). RKR Franck-Condon factors
Condon factors of (7J) it is concluded by (82) that the
electronic transition moment can be considered as constant
for most bands of this system. Comparison with intensities
in the electron energy loss spectrum (61).
uw e y e = + 0.04129, we z e = - 0.000290, from (65); (196) give
very slightly different numbers.
:;~a~c=-~:~~~~ ~~:tors
2
(75) (196) 1 f 00 (a' - B.4x io-11,
corresponding to a lifetime of O.OlJ s (187).
X) =
419
 420
State Te w we x e Be «e De re Observed Transitions References
e
(lo- 6cm- 1 ) (i) Design.
1 voo

llf.N 2 (continued)
B' 32:- z a b o.0166 c
u 66272.47 1516.88 12.181 1.4733 6 (5.56) 1.2784 B' -?B, R d 6545.5 (Z) ( 32) (36)
"Y" bands, (182)
B'~X,e R 65852.35 z (JO)* (35)
Ogawa-Tanaka- (66)* (149)
Wilkinson b. (155)
w 3~ 59808 1501.4 (Z) 11.6 W~B, R,V 73 (102)(124)
u Wu-Benesch b. (131)(157)
Wt-X,f R 59380 (123)* (155)
Saum-Benesch b.
z k i,
B 3n g 59619.J5g 1733.39 14.122h 1.6374/ 0.01791j [5.9] 1. 21260 B 4rlA, V 9552.0 3 Z (29)(196)
1st pos. gr.
B+-X,m R 59306.81 z (40)
Wilkinson b.
A 32:+u 50203.63 1460.64 z 13.87 2n 1.4.546° o.0180P [6.15] 1.2866 Aq~X,mR 497.54.78 z (29)(70)(85)
Vegard-Kaplan b.
x lr;+ 0 2358.57 z 14.324r 1.998241 s o.017318s [5.76] 1. 09768 .5 Rot. -vibr. t and rot. sp. s
g
- pressure induced (14)(59)(63)
(86)(13.5)
(141)(181)
- el. field induced (185)
Raman spectra u (20)(134)
(167)
Mol. beam magn. reson. v

N2 1 :weye = + 0.0418 6 , weze = - 0.000732 (196). eRKR Franck-Condon factors (75)(196). Rotational intensity
Spin splitting constants (v=.5)1 A= +o.66, r
= -0.0030 (66). I distribution (120).
co. = + 0.000009 (196). fFranck-Condon factors (123).
d e
Also referred to as "infrared afterglow bands". gAe = 42.24 (133).
N2 (continued):
hwye e = - 0.0569, we ze = + 0.00361 (196)1 slightly different
constants are given by (74)(133).
iPredissociation above v=l2,N=33 (2)(153). The state causing
the predissociation is probably A' 5Eg. + Inverse pre d'1ssoc1-
. trum (170). The quadrupole moment in the v=O level is mea-
ation A' 5E+ ~ B 3n seems to be responsible for some of
g g [
the phenomena in active nitrogen see (142) and references
quoted there]. The levels v'=l2, 11, 10 are preferably ex-
cited in the Lewis-Rayleigh afterglow; for excitation of
other levels in the afterglow see (193).
jfe = - 0.00007 (196)1 slightly different constants in (133).
7
kLifetime T(v=O •• • 12) = 5.0 µs (176) 1 see also (79). For B-A
absorption f values (~ 0.0025) see (41)(78)(97).
!Stimulated emission for some of the lines of the 4-2, 3-1,
2-0, 2-1, 1-0, 0-0, 0-1 bands has been observed (91). RKR
Franck-Condon factors (73)(77), dependence on rotation (117).
Dependence of the electronic transition moment on r (139)
(150); absolute transition probabilities (111)(139).
mFranck-Condon factors (75)(196). Rotational intensity dis-
tribution in the Vegard-Kaplan bands (122).
nw e y e = + 0.010 , we z e = - 0.0019 7 (196); slightly different
3
constants in (74)(133).
0
spin splitting constants (v=0)1 A= -1.33, r = -0.003 (70);
see also (133). The radio-frequency spectrum of this state
was studied by the molecular beam magnetic resonance method
(127)(158); magnetic hyperfine and electric quadrupole
coupling constants.
P 0e = - 0.00008 8 (196).
qLifetime 1.3 s for the F 2 levels, 2.5 s for the F1 and F
3
levels (115)(116)(138); electronic transition moment, vari-
ation with r (96)(109)(115).
rweye = - 0.00226, weze = - 0.00024 (196). (167) gives
bG(~) = 2329.916 8 and similar data for 14N1 5N and l5N 2 •
sFrom BO and Bl of (167) and using De = - 0.00003 from
3
(196).
tPredicted transition moments for quadrupole vibration spec-
sured to be - l.4x 10- 26 e.s.u. cm 2 (46)(95).
uRaman spectra of 14N1 5N and l5N 2 (167)(168).
vg ( 1 5N 2 ) = 0.2593, sign not determined (49). For magnetic
J 3 +
resonance spectra of metastable N2 in the A Eu state see
( 127) ( 158) •
(1) Hopfield, PR J..2, 1133; JQ, 789 (1930).
(la)Coster, Brons, van der Ziel, ZP 84, 304 (1933).
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(3a)Gero, ZP .2..Q, 669 (1935).
(3b)Coster, Brans, ZP 9.1., 570 (1935).
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854 (1938).
(5) Worley, Jenkins, PR 2±_, 305 (1938).
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(8) Worley, PR 64, 207 (1943); §2, 863 (195J).
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(10) Gaydon, PPS ..2.2, 85 (1944).
(11) Herman, AP(Paris) (11) 20, 241 (1945).
(12) Gaydon, Herman, PPS 2§., 292 (1946).
(13) Janin, Crozet, CR _g_gJ, 1114 (1946).
(14) Crawford, Welsh, Locke, PR 1.2, 1607 (1949).
(15) Janin, JRCNRS J (12), 156 (1950).
(15a)Herzberg, MOLSPEC 1 (1950).
(16) Douglas, Herzberg, CJP ~' 294 (1951).
421
 422
N2 (continued)s
(17) Herman, CR £.2..], 738 (1951). (45) Huffman, Tanaka, Larrabee, JCP J.2, 910 (1963).
(18) Carroll, Sayers, PPS A 66, 11J8 (195J). (46) Ketelaar, Rettschnick, MP 1, 191 (1963).
(19) Grun, ZN 2 a, 1017 (1954). (47) Nicholls, JATP £2, 218 (196J).
(20) Stoicheff, CJP J,g, 630 (1954). (48) Pearse, Gaydon, IDSPEC (1963).
(21) Tanaka, JOSA !±2, 663 (1955). (49) Chan, Baker, Ramsey, PR A 1..1§, 1224 (1964).
(22) Wilkinson, Houk, JCP 24, 528 (1956). (50) Frackowiak, BAPS(MAP) 12, J61 (1964).
(2J) Lofthus, JCP ..f.2, 494 (1956). (51) Ogawa, CJP 42, 1087 (1964).
(24) Hepner, Herman, AGEP lJ, 242 (1957). (52) Reis, JQSRT 1, 783 (1964).
(25) Lofthus, CJP J.2, 216 (1957). (5J) Tyte, Nicholls, IAMS~ (1964).
(26) Lofthus, Mulliken, JCP 26, 1010 (1957). (54) Tanaka, Ogawa, Jursa, JCP 40, J690 (1964).
(27) Oldenberg, in "The Threshold of Space", p. 180, (55) Tilford, Wilkinson, JMS 12, 2Jl (1964).
ed. Zelikoff (1957). (56) Tilford, Wilkinson, JMS 12, 347 (1964).
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(Jl) Bayes, Kistiakowsky, JCP ..:g_, 992 (1960). (61) Lassettre, Meyer, Longmire, JCP 42, 807 (1965).
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(42) Carroll, JCP Jl, 805 (1962). (72) Carroll, Mulliken, JCP .!±.], 2170 (1965).
(4J) Mulliken, JCP Jl, 809 (1962). (7J) Zare, Larsson, Berg, JMS 15_, 117 (1965).
(44) Carroll, PRS A~' 270 (1963). (74) Artym, OS(Engl. Transl.) Suppl.~' 2 (1966).
N2 (continued)a
(75) Benesch, Vanderslice, Tilford, Wilkinson, ApJ 11J,
2J6 (1966).
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(1966).
(79) Jeunehomme, JCP ~' 1805 (1966).
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(81) Lassettre, Skerbele, Meyer, JCP ~' 3214 (1966).
(82) McEwan, Nicholls, Nature £Q.2, 902 (1966).
(8J) McFarlane, JQE ~' 229 (1966).
(84) McFarlane, PR 146, 37 (1966).
(85) Miller, JMS 1_2, 185 (1966).
(86) Shapiro, Gush, CJP 44, 949 (1966).
(87) Tilford, Wilkinson, Franklin, Naber, Benesch,
Vanderslice, ApJ(Suppl.) 1.J., Jl (1966).
(88) Carroll, Yoshino, JCP !±1, J07J (1967).
(89) Ching 9 Cook, Becker, JQSRTz, 323 (1967).
(90) Dressler, Lutz, PRL 1_2, 1219 (1967).
(91) Kasuya, Lide, AO~' 69 (1967)Q
(92) Roncin, Damany, Romand, JMS 22, 154 (1967).
(93) Fishburne, Lazdinis, Seibert, JMS £1, 100 (1967).
(94) Tanaka, Nakamura, SL 16, 73 (1967).
(95) Buckingham, Disch, Dunmur, JAGS .2.Q, 3104 (1968).
( 96) Chandraiah, Shepherd, CJP 46, 221 ( 1'968) •
(97) Cunio, Jansson, JQSRT ~' 176J (1968).
(98) Lawrence, Mickey, Dressler, JCP 48, 1989 (1968).
(99) Hesser, JCP 48, 2518 (1968).
(100) Bleekrode, JCP 12_, 951 (1968)s Physica 44, 24 (1969).
(101) Parks, Rao, Javan 9 APL 1J, 142 (1969).
(102) Wu, Benesch, PR fil, 31 (1968).
(lOJ) Campbell, ·rhrush, TFS ~' 32 (1969).
(104) Carroll, Collins, CJP !±1, 56J (1969).
(105) Comes, Weber, ZN 24 a, 1941 (1969).
(106) Dressler, CJP !±1, 547 (1969).
(106a)Lefebvre-Brion, CJP !±1, 541 (1969).
(107) Freund, JCP 2.Q, J7J4 (1969)~
(108) Geiger, Schrodev;f JCP 2.Q, 7 (1969)c
(109) Broadfoot, Maran, JCP 21. 9 678 (1969).
(110) H~bert, Nicholls, JP B ~' 626 (1969)~
(111) Kupriyanova, Kolesnikov, Sobolev, JQSRT 2, 1025
( 1969).
(112) Lindholm, AF 40, 111 (1969).
(llJ) Lutz, JCP ..21, 706 (1969)0
(114) Nakamura, Sasanuma, Sato, Watanabe, Yamashita, Iguchi,
Ejiri, Nakai, Yamaguchi, Sagawa, Nakai, Oshio 9 PR lZ.!2,,
80 (1969).
(115) Shemansky, JCP 21., 689 (1969).
(116) Shemansky, Carleton, JCP ..21 9 682 (1969).
(117) Shumaker, JQSRT 2, 153 (1969)$
(118) Carroll, Collins, Yoshino, JP BJ, Ll27 (1970).
(119) Carlson, Moddeman, Pullen, Krause, CPL 2, 390 (1970).
(120) Kov~cs, OS(Engl. Transl.) 28, 2J9 (1970).
(121) Miller, JOSA 60, 171 (1970).
(122) Miller, PR A 1, 590 (1970).
(12J) Saum, Benesch, PR A~' 1655 (1970).
(124) Saum, Benesch, AO 2, 195 (1970).
(125) Vaidyan, Santaram, JCP ..2,g, J068 (1970).
(126) Cook, Ogawa, JCP .2.J, 1292 (1970).
(127) Freund, Miller, De Santis, Lurio, JCP .2.J, 2290 (1970).
(128) Johnson, Fowler, JCP .2.J, 65 (1970).
423
 424
N2 (continued)s
(129) Michels, JCP jJ, 841 (1970). (158) De Santis, Lurio, Miller, Freund, JCP ..i§., 4625 (197J).
(lJO) Van der Wiel, El-Sherbini, Brion, CPL 1, 161 (1970). (159) Kurzweg, Egbert, Burns, JCP 22_, 2641 (197J).
(lJl) Benesch, Saum, JP B ~' 7J2 (1971). (160) Dotchin, Chupp, Pegg, JCP 22,, 3960 (1973).
(1J2) Borst, Zipf, PR A], 979 {1971). (161) Carter, Berkowitz, JCP 22_, 4573 (197J).
(lJJ) Bullock, Hause, JMS 1.2,, 519 (1971). (162) Hicks, Comer, Read, JP B £, L65 (197J).
(1J4) Butcher, Willets, Jones, PRS A 1.f!.!:, 2Jl (1971). (163) Lee, Carlson, Judge, Ogawa, JQSRT lJ., 1023 (1973).
(1J5) De Remigis, Welsh, Bruno, Taylor, CJP 1.2_, J201 (1971). (164) Veseth, MP 26, 101 (1973).
(1J6) Imhof, Read, JP B ~' l06J (1971). (165) Watson, Lang, Stewart, JP B £, Ll48 (197J).
(1J7) Leoni, Dressler, ZAMP 22, 794 (1971). (166) Werme, Grennberg, Nordgren, Nordling, Siegbahn,
(1J8) Meyer, Klosterboer, Setser, JCP ,22, 2084 (1971). Nature 242, 453 (1973).
(1J9) Shemansky, Broadfoot, JQSRT 11, 1J85 (1971). (167) Bendtsen, JRS £, 133 (1974).
(140) Pilling, Bass, Braun, JQSRT 11, 1593 (1971). (168) Butcher, Jones, JCS FT II 1Q, 560 (1974).
(141) Sheng, Ewing, JCP ..,22, 5425 (1971). (169) Carroll, Doheny, JMS 2.Q, 257 (1974).
(142) Becker, Fink, Groth, Jud, Kley, DFS No. 2], J5 (1972). (170) Cartwright, Dunning, JP B 1, 1776 (1974).
(14J) Borst, Wells, Zipf, PR A 2, 648, 1744 (1972). (171) Mohamed, Khanna, IJPAP 12, 77 (1974).
(144) Carroll, Yoshino, JP B 2, 1614 (1972). (172) Rajan, PRIA A l!J:, 17 (1974).
(145) Carroll, Collins, Murnaghan, JP B 2, 16J4 (1972). (17J) Vinogradov, Shlarbaum, Zimkina, OS(Engl. Transl.) ]Q,
(146) Cook, McNeal, JCP ..2§., 1388 (1972). J83 (1974).
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(150) Jain, JQSRT 12, 759 (1972). {176) Chen, Anderson, PR A 12, 468 (1975).
(151) Ledbetter, JMS 42, 100 (1972). (177) Gardner, Samson, JCP 62, 1447 (1975).
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{152a)Leoni, Dissertation (ETH Zilrich, 1972). (179) Wong, Lee, Wellenstein, Bonham, JCP .2J, 1538 (1975).
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N2 (continued)1
(185) Courtois, Jouv~, JMS ..,22, 18 (1975). (192) Osherovich, Gorshkov, OS(Engl •. Transl.) 41, 92 (1976).
(186) Johns, Lepard, JMS ..2j, J74 (1975). (193) Ung, JCP Q.2, 2987 (1976).
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425
 426
e xe
State Te w w Be a'e De re Observed Transitions References
e
(lo- 6cm-1 ) (i) Design. l voo

l4-N2 + **) µ = 7.00140006 0

0 = 8.712 8
D eVa I.P. = 27.1 evb MAR 1977 A
Several other much weaker X-ray emissions corresponding to higher levels of N 2 + •
x K state of N (removal of one K electron) x~Ct 384.5
2
x~B, 391. .3.3 ( 47) ( 48)
x-7 A, d .393.34
x~x, 394.40
Repulsive state corresponding to removal of a 26g electron and dissociating into N( 4 s) +
G 2r;+ (195000) { N+(2s2pJ Jp), observed in photoelectron and photoion spectra with maximum at 39.8 and limit (.58)
g
at 37.8 6 ev.
hi cL~x, R 64542.0 z
c 2r;+u 64608.l f 2071.5f z 9.29g [1.5098] 4.0 (9)(10)*
2nd neg. gr. (11)* (72)
D 2n . 52318.2k 1.113 0.020 5 1.471 D-+A, R 42654.o Z (13)* (16)
gi Janin-d'Incan b.
(a 4r;~) (25467) (2398) (14) (2.071) (0.014) (25563.26)
B 2r;+u 25461.46 2419.84 z o.024q [6.17] Br ~x, s VR 25566.04 z ( 1) * (la) ( 6)
1st neg. gr. (20)* (38)
(73)
u b'
A 2n .
UJ.
1903.7 0 z l.7444v p o.01883v 1.1749 Aw_..X,x R 9015. 57 z (8) (73)
Meinel b.
x 2r;+ 2207.00 z l.93176z p 0.01881 1.11642
g

aFrom ng(N 2 ) + I.P.(N) - I.P.(N 2 ). value predicted from the K limit and I.P.(N 2 ) is .39J.9 eV.
bFrom the electron impact appearance potential of N2++ (15) The X-ray line has a shoulder at 394.1 eV probably cor-
7
and I.P.(N 2 ). See also (39) and ref. given there. responding to v"=l.
0
vertical transition. fDifferent constants are derived by (23) who assumes that
dConsisting of av" progression (v"=0 ••• 5). the levels v=0,1,2 are perturbed and therefore does not in-
eObserved X-ray emission line leading to X 2 r:;(v=O); the clude them in the evaluation; he gives Te = 64562.93 cm- 1 •
N + (continued) s
2
gweye = - o.4J. Vibrational numbering confirmed by 14N-1 5N
isotope shifts (7)(17)(24). Additional vibrational levels
(to v'=l7) observed by (49) in the photoelectron spectrum.
h
Bv(V=l ••• 6) = l.5096, l.50J 5 , 1.4970, 1.4898, 1.4804,
1.470 0 • The shape of the Bv curve is anomalous; meaningful
equilibrium constants have not been determined. Spin doub-
ling partially resolved for high N values (11).
irn a discharge through He+ N2 the v'=J bands are strongly
enhanced. It has been suggested (6) that this enhancement
is due to inverse predissociation, i.e. N( 4 s) + N+(Jp) -7
N~(c 2 E~); see also (11). Direct predissociation, i.e. the
production of N+ ions, has been observed mass-spectro-
metrically (J5)(66); see also (JO)(J4). According to (J5)
the "metastable" ion N 2 +(c 2 E~) has a lifetime of o.8 µs
before radiationless decomposition: see, however, (55)
and j• The question which state causes the predissociation
has been the subject of much discussion (54)(61)(62) fol-
lowing the discovery of a large isotope effect on this
predissociation (43)(53)(55)(59). See also (36). Another
predissociation limit at 26.70 eV above N2 (x 1 E;,v=O) and
corresponding to 2D0 + Jp has been observed by ( 49) o
jRadiative lifetime of the non-predissociated levels
T(v~2) = 0.09 µs (J4).
kA = - 16.5.
£w e y e = + 0.016. Vibrational numbering confirmed by 14N- 1 5N
isotope shifts (17).
mThe identification of this quartet - doublet transition by
(68) has been questioned by (70) who considers it as the
1st negative system of 14N1 5N+.
nw e y e 0.537 , we z e = - 0.0495; these constants, derived
5
from w0 , w0x 0 , ••• of (la), represent the unperturbed vi-
bra tional levels only to v = 10 a for v > 10 the llG curve
shows a positive curvature. Levels observed up to V= 29 (6).
0
Spin splitting constant 0o = + 0.0229 (73); (67) give ('-f
= 0.015. Rotational intensity distribution (67); see also
(57).
PRKR potential functions (25), see also (22)(60).
qValid only to v=3· Rotational perturbations by A 2nu in
v = 1, 3, 5, 8, 9, 13; see ( 1) ( 1 a) ( 2) ( 3) ( 4) (J8) •
rLifetime 'C"(v=O) = 60.5 ns, see (42)(65) and earlier work
quoted by them. Perturbed rotational levels (e.g. v=l, N=
13, 14) have lifetimes up to 95 ns (52). (18) gives f 00 =
0.019; the electronic f value at the wavelength of the 0-1
band is 0.034 (21).
sObserved in absorption in flash discharges (28); laser-in-
duced fluorescence (63). From intensity measurements (45)
conclude that the electronic transition moment is nearly
independent of r; see, however, (18)(27)(32). Franck-Condon
factors (31)(33)(72).
tA(v=2,3) = - 74.62, small J dependence (73).
uFrom (16); (73) give llG(5/2) = 1813.32 • Levels observed in
7
nitrogen ion beams to v=30 (46). Vibrational numbering con-
firmed by l5N + data (12).
2
vFrom the rotational constants for v=2,J (73); also A-type
doubling constants. For higher but less accurate Bv values
see (16). f1e = + 0.18x 10-6 (73).
wLifetime varies from 13.9 µs for v=l to 7.J µs for v=8; see
(40), who give references to earlier work, and (J7) (46).
Transition probabilities, f values (41); f 00 = 0.00168.
xThe bands were observed in the aurora (5) before they
were discovered in the laboratory ( 8). Dependence of the
(continued on p. 428 )
427
 428
N2+ (continued)s
electronic transition moment on r (29)(41)(46)(69)(71). (18) Nicholls, JATP £2, 218 (1963).
Yweye = - 0.040. These constants (JS) are only very slightly (19) Gilmore, JQSRT 2, 369 (1965).
different from those implied by (6) who gives w0 , w0x0 ••• (20) Tyte, Nicholls, IAMS J (1965).
(7J) give 6G(i) = 2174.72 8 • (21) Wray, Connolly, JQSRT 2, 633 (1965).
zFrom B0 and B1 of (7J). Spin splitting constant (v=O,l)
0 (22) Joshi, JQSRT Q, 211 (1966).
+ 0.008J (7J); see also (67). (23) Joshi, PPS~' 285 (1966).
a'D 1 = 6.J8x l0-6 (7J); higher, less accurate Dv values in (24) Joshi, PPS~' 561 (1966).
(JS). (25) Singh, Rai, JMS 12., 424 (1966).
b'Experimental Franck-Condon factors for photoionization (26) Spohr, van Puttkamer, ZN 22 a, 705 (1967).
into these states from the ground state of N2 (26)(JJ) (27) Kiselyovskii, Shimanovich, OS(Engl. Transl.) 24, 266
(50); theoretical Franck-Condon factors (72)(74); see also (1968).
(44)(51). (28) Herzberg, CPAS £, No. 15 (1968).
(1) Herzberg, AP(Leipzig) (4) 86, 189 (1928). (29) Koppe, Koval, Grytsyna, Fogel, OS(Engl. Transl.) 24,
(la)Coster, Brans, ZP ZQ, 492 (19Jl); 1J, 747 (1932). 440 (1968).
(2) Childs, PRS A 1J.Z., 641 (19J2). (JO) Fournier, Ozenne, Durup, JCP 2], 4095 (1970).
(3) Parker, PR 44, 90, 914 (1933). (31) Grandmontagne, Jorus, Vincent, JP(Paris) Jl, 749
(4) Brons, Physica 1, 739 (1934); PKNAW .:.1§., 271 (1935). (1970).
(5) Meinel, ApJ 112, 562 (1950); 11J, 58J (1951); 114, (32) Brown, Landshoff, JQSRT 11, 1143 (1971).
431 (1951). (JJ) Comes, Speier, ZN 26 a, 1998 (1971).
(6) Douglas, CJP JQ, 302 (1952). (34) Fournier, van de Runstraat, Govers, Schopman, de Heer,
(7) Baer, Miescher, HPA 26, 91 (195J). Los, CPL 2, 426 (1971).
(8) Douglas, ApJ 1!1, 380 (1953). (J5) Wankenne, Momigny, IJMSIP 1, 227 (1971).
(9) Tanaka, JCP 21, 1402 (1953). (36) Fourni.er, Govers, van de Runstraat, Schopman, Los,
{10) Wilkinson, CJP J!±, 250 (1956). JP(Paris) .}}, 755 (1972).
(11) Carroll, CJP J.Z, 880 (1959). (37) Gray, Roberts, Morack, JCP j]_, 4190 (1972).
(12) Liu, ApJ 11.2,, 516 (1959). (38) Klynning, Pages, PS Q, 195 (1972).
(lJ) Tanaka, Namioka, Jursa, CJP J.2., 1138 (1961). (39) Appell, Durup, Fehsenfeld, Fournier, JP B Q, 197
(14) Wallace, ApJ(Suppl.) Q, 445 (1962). (1973).
(15) Dorman, Morrison, JCP J.2., 1906 (1963). (40) Peterson, Moseley, JCP ..2.§., 172 (197J).
(16) Janin, d'Incan, Stringat, Magnaval, RO 42, 120 (1963). (41) Cartwright, JCP ..2.§., 178 (197J).
(17) Namioka, Yoshino, Tanaka, JCP ]2, 2629 (1963). (42) Dotchin, Chupp, Pegg, JCP 22,, J960 (1973).
N2+ (continued)1
(43) Govers, van de Runstraat, de Heer, JP B §, L73 (1973). (58) Gardner, Samson, JCP 62, 1447 (1975).
(44) Kosinov, Skovorodko, OS(Engl. Transl.) .,22, 344 (1973). (59) Govers, van de Runstraat, de Heer, CP 2, 285 (1975).
(45) Lee, Judge, JP B §, Ll21 (1973). (60) Hajj, PL A 2.Q, 427 (1975).
(46) Maier, Holland, JCP _22, 4501 (1973). (61) Tellinghuisen, Albritton, CPL J1, 91 (1975).
(47) Werme, Grennberg, Nordgren, Nordling, Siegbahn, (62) Roche, Lefebvre-Brion, CPL]£, 155 (1975).
Nature 242, 453 (1973). (63) Engelking, Smith, CPL]§, 21 (1975).
(48) Werme, Grennberg, Nordgren, Nordling, Siegbahn, (64) Thulstrup, Andersen, JP B §, 965 (1975).
PRL JQ, 523 (1973). (65) Smith, Read, Imhof, JP B §, 2869 (1975).
(49) Rsbrink, Fridh, PS 2, 338 (1974). (66) Wankenne, Bolduc, Marmet, CJP jJ, 770 (1975).
(50) Gardner, Samson, JCP 60, 3711 (1974). (67) Bouchoux, Bacis, Goure, Lambert, JQSRT 16, 451 (1976).
(51) Lee, Rabalais, JCP 61, 2747 (1974). (68) d'Incan, Topouzkhanian, JCP §], 2683 (1975); 64, 3494
(52) Dufayard,Negre, Nedelec, JCP 61, 3614 (1974). (1976).
(53) Govers, Fehsenfeld, Albritton, Fournier, Fournier, (69) Wu, Shemansky, JCP 64, 1134 (1976).
CPL 26, 134 (1974). (70) Dressler, JCP 64, 3493 (1976).
(54) Lorquet, Lorquet, CPL 26, 138 (1974). (71) Mandelbaum, Feldman, JCP §2, 672 (1976).
(55) van de Runstraat, de Heer, Govers, CP ], 431 (1974). (72) Lofthus, Krupenie, JPCRD §, 113 (1977).
(56) Cartwright, Dunning, JP B §, LlOO (1975). (73) Colbourn, Douglas, JMS .Q..2, 332 (1977).
(57) D~sesquelles, Do Cao, Vaissade, JP(Paris) J§, 795 (74) Albritton, Schmeltekopf, Zare, "Diatomic Intensity
(1975). Factors", Wiley, to be published.

**) Potential functions of the observed states (19). Predicted electronic states and potential functions (56)(64).
Table of band head wavelengths (14).

429
 430
State w w x Observed Transitions References
e e
e
Design. I v 00

µ = 7.00126291 MAY 1976 A

Following the early work of (3), (6) have recently given the results of detailed calcu-
lations of many low-lying singlet and triplet states. On the basis of this theoretical work
the assignment of the observed transition to N2++ seems very probable but not conclusive.
D (62928) (1910)a j [1.8644] I [7.1] j [1.1364] D~X, 62903.1 8 Z (l)* (2)
A few intermediate states are suggested by Auger electron (4) and
double charge transfer spectra (5).
x 12:+ b
g 0 (1960)a
I
[1.8801]
I [6.9]
I [1.1317]

llf.N2 - µ = 7.00167435 0
D0 = 7.93 eVa I.P. = - 1.90
1 eV
b
MAY 1976 A
Theoretical calculations of N2 - states {10).
Additional resonances in electron scattering at higher energies, several of them associated
( 6a) ( 7) ( 8)
with the lowest N2 Rydberg states which derive from A 2 nu of N2+ • I
E (2180)c (16)c I I I
l.ll5c (4)

Two long progressions of shape resonances in electron scattering at 8. 2 - 9. 6 and 9. 0 - 11. 2 eV

above X 1 E+(v~O) of N2 • They correspond to negative ion formation with subsequent decay to (5)(6)(7)
A JI:~ and ~ Jng, respectively, of neutral N •

x (1968)ef (lO)e
2
l.193
e
I
Vibr. Raman sp. f
ESR sp.g
(2)
(1)
N ++1 aEstimated from (4BJ/D)~.
2
bNot certain that this is the ground state. As for c2 , a
low-lying Jnu state has been predicted (6).
(1) Carroll, CJP J2, 1585 (1958).
(2) Carroll, Hurley, JCP J.2, 2247 (1961).
(J) Hurley, JMS 2, 18 (1962).
(4) Stalherm, Cleff, Hillig, Mehlhorn, ZN 24 a, 1728
(1969).
(5) Appell, Durup, Fehsenfeld, Fournier, JP B Q, 197
(1973)~
(6) Thulstrup, Anderson, JP B ~' 965 (1975).
N2 -, ~rom ng(N 2 ) and the electron affinities of N2 and N, as-
suming for the latter -0.07 eV as given by (9).
bFrom the energy difference (corrected for zero•point
energy) of the potential minima given by (3); see e.
cMolecular constants estimated by (4) from a short pro-
gression of three very sharp resonances in electron scat-
tering at 11.48, 11.75, 12.02 eV above X 1 E+(v=0) of N2 •
The parent is the E JE+ Rydberg state of N ~ the grand-
2 (8) Golden, Burns, Sutcliffe, PR A 10, 2123 (1974).
parent X 2 E+ of N +. g
2
dThe minimumgof the ground state potential function lies
1.92 eV above that of N2 (J); see e.
5
eGround state constants derived by (J) from a comparison
of experimental with calculated cross sections for the
vibrational excitation of N2 by resonance scattering of
electrons in the 2-4 eV region. The vibrational levels
N2 - (continued)1
have a considerable width owing to preionization, but
the width parameter r decreases rapidly with increasing
r from 0.57 eV at r (N 2 ).
f e
(2) observe 6G(~) ~ 1840 for N2 - in potassium halide
single crystals.
gspectrum of N2- in potassium halides, confirming the 2n
nature of the ground state.
(1) Brailsford, Morton, Yannotti, JCP 2.Q, 1051 (1969).
(2) Holzer, Murphy, Bernstein, JMS ]£, 13 (1969).
(3) Birtwistle, Herzenberg, JP B ±, 53 (1971).
(4) Comer, Read, JP B ±, 1055 {1971).
(5) Snache, Schulz, PR A Q, 69 (1972).
(6) Mazeau, Gresteau, Hall, Joyez, Reinhardt, JP B Q,
862 (1973).
(6a)Mazeau, Hall, Joyez, Landau, Reinhardt, JP B Q,
873 (197J).
(7) Schulz, RMP !±..,2, 423 (1973).
(9) Hotop, Lineberger, JPCRD ± (3), 539 (1975).
(10) Thulstrup, Andersen, JP B §, 965 (1975).
431
 432
State Te w wexe Be «e De re Observed Transitions References
e
{10-7 cm- 1 ) (i) Design. l voo

23Na2 µ = 11. 49488 52 D00 = 0.720 eVa I.P. = 4.90 evb JUN 1977 A
Diffuse bands of Na 2 van der Waals molecules close to the lines of the principal series of Na. {5)(7)
Several fragments of other UV emission and absorption band systems. c (4)(10)(1J)
E (ln ) 35557.0 106.2 H 0.65 E~X, R 35530.6 H (15)(19)
u
D ln u
lE+
33486.8

(33000)
111.Jd H o.4
8 I
e
I
Fragment observed in two-photon excited Na 2 fluorescence.
I D+-?X, R 33462.9 H (13)(15)(17)
(19)
(J7)
g
c ln u 29382 119.JJf H 0.53 e
C+7X, R 29362 H (12)(14)(17)
B ln 20320.02 124.090 z o.6999g h i 3.24 j Bk~X,t
u 0.125277 0.0007237 8 J.4228 R 20J02.49m Z ( 1) ( 6) ( 21)
(JO)
A lE+u 14680.58 117.323 z o.3576n O.ll078 4 °P 0.0005488q J.88/ J.6384 As~x, R 14659.80 z {2) ( 8) ( Jl)
(.36) (40)
a Jn < 14680 (145)t (0.140)t
x lE+ 0 159.1245 z 0.7254 u o.154707h 0.00087J6V 5.81 w Mol. beam magn. reson. x
g 7 1 J.07887

Na 2 1 aFrom D~ = 5890 ± 70 cm-1 based on the RKR potential curve
for the ground state (2l)(JO). The thermochemical value
of ( 3), obtained by a molecular beam technique, is o. 73 2 eV.
bFrom photoionization (20)(2J). A similar value is obtained
by extrapolation of the Rydberg series B,C,D,E (17)(19)(26).
cMolecular absorption cross sections 27000 - 62500 cm- 1 ( 20).
dVibrational constants from (15).
e(l7) report the following rotational constants for
D1 Be = 0.1185, <Xe = 0.001;
Ci Be = 0.1281 5, a:'.e = 0.0008 4 •
Considerably different constants, however, are quoted by
Richards in (25)1
D1 Be = 0.1152, txe = 0.001101
Cs Be = 0.1185, I.Xe = 0.00096.
fvibrational constants from (14) (except Te which has been
recalculated). (17), without details, give Te= 29393, we
117.J, wexe = 0.5 , while Richards (25) quotes 29384.8,
5
119.53, and 0.782, respectively.
g _ 0.00495(v+~)3- o.00015J(v+~) 4 + 7.01x10- 6 (v+~)5-1.804x
l0-7(v+~.) 6 ; from the laser-induced fluorescence spectrum,
including levels with v'629 (JO). This state has a poten-
tial hump of ""550 cm- 1 (0.069 eV); see (JO), also (27). The
non-appearance of levels with v'>26 in the magnetic rota-
Na (cont hued) 1
2
tion spectrum may be due to weak predissociation; see (11). tConstants estimated from the perturbations in A 1 ~~ (9),
hRK~ potential functions (JO). 0
see • (JJ) predict Te= 1J500, '"e= 160, Be= 0.154.
i - J.15 x 10-5 (v+t) 2 + 1. 040 x lo- 6 (v+t) J - 2. 92 0 x l0- 8 (v+t ) 4 u _ 0.001095(v+t)J- 4.72 x l0-5(v+~)4+ J.2 1 x lo- 7 (v+t)5 - 7.5J x
9
The co~1stants are for P and R lines, B(~,P) - B(Q) = 10-9(v+t)6; the analysis of the B~X system includes levels
+O.OOOC128 (JO). with v" ~ 46 (JO).
j f3e = + 4 .75x 10 -8 , ••• ; He= - 2.1 4 x10 -11 , and higher 4
v - J.146 x lo- 6 (v+t) 2 - 2 .4o x 10- 7 (v+~) J + 4.8 x lo- 9 (v+t ) -
5 0 4
order constants (JO). 8.7 x lo-ll(v+t)5, from (JO).
3
kRadiative lifetimes of 24 different levels (v',J') have wf3e = + J. 59 x lo-9; He = + 1. 92 x lo- 12 , also higher order
been measured with an accuracy of rv 1% by means of a de- constants (JO).
layed coincidence single-photon counting technique (J4); xgJ (+)O.OJ89 2 µN (18). From the nuclear resonance spec-
the observed lifetimes [see also (22)(24)] vary from 7.0 trum (16) determined eqQ, but much improved hyperfine coup-
to 7.5 ns and have been used to determine the electronic ling constants eqQ and c [spin-rot. canst., see also (JS)]
transition moment and its variation with r. The results in the v=O, J=28 level have recently been obtained by (J2)
are in good agreement with (28) and with the ab initio using a laser-fluorescence molecular-beam-resonance tech-
calculations of (J9). See, however, (27)(29). nique.
£Franck-Condon factors, dependence on rotation (J4). (1) Loomis, Wood, PR J..g, 223 (1928).
mThe band origin given here does not include -BA2 • (2) Fredrickson, PR~' 207 (1929).
n + 5.167 x 10-6 (v+t) J + 9. 277 x lo- 6 (v+t ) 4 - 1.456 x 10- 7 (v+t ) 5 ;
(3) Lewis, ZP .§2, 786 (19Jl).
from (40), see also (Jl). The observations extend to (4) Kimura, Uchida, Sci. Pap. IPCR (Tokyo) 18, 109 (1932).
v. = 44 ( J6) ( 40) • (5) Kuhn, ZP .zQ, 782 (1932).
0
Rotational perturbations in v=O and 1 are caused by levels (6) Loomis, Nusbaum, PR 40, 380 (1932).
belonging to the three components ;f the lower-lying a Jn
(7) Wurm, ZP .z2, 736 (1932).
state (Jl). Similar perturbations affect the higher vi- (8) Fredrickson, Stannard, PR 44, 632 (1933).
brational levels and are responsible for the appearance
(9) Carroi1, PR ..,2g, 822 (1937).
of an A- X magnetic rotation spectrum ( 8) ( 9). (10) Yoshinaga, PPMSJ 12_, 847, 1073 (1937).
PRKR potential function (40). (11) King, Van Vleck, PR .22,, 1165 (1939).
q+ l.625x 10-8 (v+t) 2 + J.165x 10-8 (v+t)J- 9.205x lo- 10 (v+t) 4 ; (12) Pearse, Sinha, Nature 160, 159 (1947).
from (40), see also (Jl). (13) Sinha, PPS .2,2, 610 (1947).
rHe = + l.129x lo- 12 (40), see also (Jl). (14) Sinha, PPS A 62, 124 (1949).
sRadiative lifetimes (J5) are nearly constant for l~v~25,
T= 12.5 ! 0.5 ns, in very good agreement with theory (39). (continued on p. 4J5 )

433
 434
State Te w Observed Transitions References
e
Design. 1 v 00

23Na2 + µ = 11.4947480 MAR 1977

Theoretical calculations of excited state potential curves (1)(2)(3), oscillator strengths (4).
x 2l:+
g 0
l
23Na2- µ = 11.4950223 DOO = ( 0 • 44) e yC I.P. = (0.27) eVd MAR 1977

23 Na lf- 0Ar µ = 14.5940364 ne0 = 0.0052 eva MAR 1977 A

Bound state; continuous emission with maximum at N2J580 cm-1 ,
c 2z::+ shifted to the red by 2160 cm-1 from the forbidden Na 4s-Js line at C-+X, (5)
{
25740 cm- 1 •
{Repulsive state except for a very small van der Waals minimum (2).
B 2z::+ Responsible for the far-blue-wing fluorescence spectrum of the Na B-+X, (4)
D lines (16956 and 16973 cm- 1 ) in the presence of Ar gas.
A 211 Attractive potential, De = 550 cm -1 • b
x 2z::+ 0
I
Unstable except for a small van der Waals minimum (2)(4)
3.17b
4.8la
A-+X, (4)

u = 17.8034355 MAR 1977

The electron energy loss spectrum has peaks at 5.2, 7.1, 8.8, (20.0), 31.0 eV. (13)
~ontinuous absorption above l'V30000 cm- 1 with maxima near 35500 and 40000 cm-l.cd
Diffuse absorption bands from 28800 to 22600 cm- 1 ; in emission continua and diffuse bands
A (1) (2) (J)
{ from JlOOO to 17000 cm- 1 • j A~X
Na 2 (continued)1 Na + , Na -,
2 2
(15) Chang, CJPS 1, 377 (1950). aFrom D0°(Na 2 ) + I.P. (Na) - I.P. (Na 2 ) • theoretical values
(16) Logan, Cote, Kusch, PR 86, 280 (1952). are D~= 1.02 eV (2) and 0.980 eV (J).
(17) Barrow, Travis, Wright, Nature~' 141 (1960). bTheoretical calculations of (2); (3) predict re= J.3 ~
(18) Brooks, Anderson, Ramsey, PRL 10, 441 (1963); and we = 109.2, wexe = 0.21 (4).
PR A 1..12., 62 (1964). cFrom Dg(Na 2 ) and the electron affinities of Na 2 and Na.
(19) Morales, ARSEFQ A ..22, J (196J). dEstimated on theoretical grounds (2).
(20) Hudson, JCP !±J, 1790 (1965). (1) Bottcher, Allison, Dalgarno, CPL 11, 307 (1971).
(21) Demtroder, Mcclintock, Zare, JCP jl, 5495 (1969). (2) See ref. (J3) of Na 2 •
(22) McClintock, Demtroder, Zare, JCP jl, 5509 (1969). (3) Cerjan, Docken, Dalgarno, CPL J.§., 401 (1976).
(23) Foster, Leckenby, Robbins, JP B ~' 478 (1969). (4) Kirby-Docken, Cerjan, Dalgarno, CPL 40, 205 (1976).
(24) Baumgartner, Demtroder, Stock, ZP .,SJ.g, 462 (1970).
(25) DONNSPEC (1970). NaAr1 aFrom atomic scattering data (l); see also (3).
(26) Velasco, OPA Q (2), 16 (197J). bMorse potential parameters from the analysis of the
(27) Callender, Gersten, Leigh, Yang, PRL .]_g, 917 (1974)1 extreme-red-wing fluorescence spectrum of the sodium D
PR A 14, 1672 (1976). lines (16956, 16973 cm- 1 ) in the presence of Ar gas (4);
(28) Hessel, Smith, Drullinger, PRL JJ., 1251 (1974). we ~ 25 cm- 1 • See also (2).
(29) Williams, Rousseau, PRL JJ., 1516 (1974). (1) Duren, Raabe, Schlier, ZP 214, 410 (1968).
(JO) Demtroder, Stock, JMS jj,, 476 (1975). (2) Baylis, JCP jl, 2665 (1969).
(Jl) Kusch, Hessel, JCP Q], 4087 (1975). (3) Nikiforov, Shcherba, OS(Engl.Transl.) ~' 567 (1972).
(J2) Rosner, Holt, Gaily, PRL ]2, 785 (1975). (4) York, Scheps, Gallagher, JCP .2.J., 1052 (1975);
(3J) Bardsley, Junker, Norcross, CPL ]1, 502 (1976). Scheps, Gallagher, JCP £2, 859 (1976).
(J4) Demtroder, Stetzenbach, Stock, Witt, JMS 61, J82 (5) Tam, Moe, Bulos, Happer, OC 16, 376 (1976).
(1976).
(J5) Pucas, Littman, Zimmerman, Kleppner, JCP Q.2, 842 NaBr1 aThermochemical value [(9)(16)1 flame photom.(10)].
(1976). bonset of a broad photoelectron peak with maximum at
(J6) Kaminsky, Hawkins, Kowalski, Schawlow, PRL 1.§, 671 8.80 eV, not corrected for thermal population of ground
(1976). state levels (21). See also (20).
(J7) Woerdman, CPL !±J, 279 (1976). cUV absorption cross sections (12). Absorption at higher
(JS) Konig, Weber, CPL 44, 29J (1976). energies produces fluorescence from Na(Jp 2P), maximum
(J9) Stevens, Hessel, Bertoncini, Wahl, JCP 66, 1477 (1977). efficiency at 50500 cm- 1 (19).
(40) Kaminsky, JCP 66, 4951 (1977). (continued on p.437 )

435
 436
State Te w
e wexe Be ere De re Observed Transitions References
(10-7 cm- 1 ) (i) Design. l voo
23 Na 7 98r (continued)
x l:E+ 0 e 0.00094095f Rot.-vibr. sp. (8)
302.1 (Z) (l.5o> 0.151253.Ji l.5535g 2.502038
Rotation sp. (7) (11)
Mol. beam electrich (14)
and magnetic reson. (4)(.5)(6)

ng = 0.57 evi MAR 1977

}Removal of an electron from the halogen 4p shell of Na+Br-.

b
µ = 13.8706867 I.P. = 8.9
3
eV MAR 1977
Continuous absorption above t'V34000 cm- 1 with maxima at (38500) and 42000c cm- 1 .d
Diffuse bands are seen (2) in absorption from 33000 to 27000 cm- 1 ; the emission from 33000
A (2)
{ to 18000 cm-1 appears to be continuous. A~ X
0 366 8 (Z) (2.0 ) 0.2180630 0.0016248 2 f 3.120 2g 2.36079 Rot.-vibr. sp.h (11)
5 9 5
Rotation sp. (6) (9) (15)
Mol. beam electrici (18)(19)(20)
and magnetic reson. (J) (4) (.5) (7)
(8)

ng = o.44 ev j MAR 1977

A (t)
}Removal of an electron from the halogen Jp shell of Na+ct-.
x <t,~)

ng = (1.29). ev! I.P. = (0.67) evm MAR 1977

NaBr (cont'd), NaBr+ 1
dThe absorption spectrum of NaBr trapped in inert gas ma-
trices shows band structure at v >32300 cm- 1 ; under certain
conditions as many as 16 peaks have been observed with spa-
cings of approximately 45J and 52J cm- 1 in Ar, 529 in Kr,
and 472 in N2 (17).
e
From the IR spectrum (8); we= 298.4 9 and wexe = 1.16 have
been calculated by (11) from the microwave results using
Dunham's theory.
NaCl, NaCl+, NaCl-1
f
te = + 0.00000243.
gf3e = - o.005ox10-7
hµe.t.[D] = 9.091 8 + 0.05Jl(v+~), v~2 (14). (15), quoted in
(18), gives eqQ values and their dependence on v.
iFrom D0°(NaBr) + I.P. (Na) - I.P. (NaBr). (21) give o.49 eV
using a corrected value of I.P.(NaBr).
jFrom band maxima in the photoelectron spectrum (20)(21).
(1) Muller, AP(Leipzig) 82, 39 (1927).
(2) Beutler, Josephy, ZP .2.J., 747 (1929).
(3) Levi, Dissertation (Berlin, 1934).
(4) Nierenberg, Ramsey, PR~' 1075 (1947).
(5) Logan, Cot6, Kusch, PR 86, 280 (1952).
(6) Cote, Kusch, PR .2.Q, lOJ (195J).
(7) Honig, Mandel, Stitch, Townes, PR _2§, 629 (1954).
(8) Rice, Klemperer, JCP _gz, 573 (1957).
(9) Brewer, Brackett, CRev 61, 425 (1961).
(10) Bulewicz, Phillips, Sugden, TFS 2.Z, 921 (1961).
(11) Rusk, Gordy, PR 1.f.Z, 817 (1962).
(12) Davi-davits, Brodhead, JCP 46, 2968 (1967).
(13) Geiger, Pfeiffer, ZP 208, 105 (1968).
(14) Hebert, Lovas, Melendres, Hollowell, Story, Street,
JCP 48, 2824 (1968).
(15) Melendres, Thesis (U. of California, 1968).
NaBr, NaBr+ (continued):
(16) JANAF (1971).
(17) Oppenheimer, Berry, JCP ..21., 5058 (1971).
(18) Miller, Finney, Inman, AD j, 1 (197J).
(19) Earl, Herm, JCP 60, 4568 (1974).
(20) Goodman, Allen, Cusachs, Schweitzer, JESRP J, 289
(1974).
(21) Potts, Williams, Price, PRS A~' 147 (1974).
aThermochemical value [(1J)(21), flame photom.(10)(12)(14)].
bAdiabatic potential from the onset of a broad photoelec-
tron peak with maximum at 9.34 eV (2J); not corrected for
thermal population of ground state levels.
cAlso observed in the electron energy loss spectrum (17)
which has additional peaks at 7.1, 9.6, (20.5), Jl.5 eV.
duv absorption cross sections (16).
eFrom the IR spectrum (11). The Dunham relations applied to
the microwave results of (15) give we= 364.6 0 , wexe= 1.76.
In argon matrix ~G(!) = JJ5 (24).
f
oe = + 0.0000051 4 •
g/3e = - o.ooa x 10- 7 , He= - J.4ox lo- 14 •
3
hFor IR spectrum of matrix isolated sodium chloride see (24),
iµel[D] = 8.97141 + 0.05940(v+~) + 0.00025(v+~) 2 , v 6 J (18)
(20). For electric quadrupole coupling constants and their
dependence on v see (19)(20); earlier results by the mag-
netic resonance method.
. 0
JFrom D0 (NaCl) + I.P. (Na) - I.P. (NaCl); (2J) suggest 0.33 eV
using a corrected value for I.P.(NaCl).
kFrom band maxima in the photoelectron spectrum (22)(23).
!From Dg(NaC.t.) and the electron affinities of NaCl and Cl.
mEstimated electron affinity (25).
References on p. 4J9.
 438
State Te w wexe B «e De re Observed Transitions References
e e
(lo- 6cm- 1 ) (i) Design.
I voo
23Nal33Cs µ = i9.59948J 0 DO= (0.42) eva
e MAR 1977
Fragment of another system overlapping c- x.
c (62)

J
(24270) H c~x, (R) 24250 H (l)* (2)
B (18250) (65) H B~X, R18233 H (l)* (2)
x 12:+ 0 (98) H (4.o)a Mol. beam rf el. reson. b
-·
23Na'9F µ = 10.4021896 0
Do = (5.33) eVa MAR 1977
The electron energy loss spectrum has peaks at 5.7, 7.7, (18.5), 32.5 eV. (15)
Continuous absorption above 41000 cm -1 • ( 1)
A Fluctuation bands in absorption from 39350 to 36600 cm -1 • A~ X (4)
x 12:+ 0 536bc J.4b o.4369012 Rot.-vibr. sp. c (11) (14)
7 0.00455869d 1.161
(Z) 1. 925947
Rotation sp. (8)(10)(13)
Mol. beam rf electric e (10)(12)
and magnetic reson. (2)(3)(5)

NaCsa aPotential data for the l~+ ground state from total scat-
tering press-section measurements (3); see also (4).
(J) give also potential parameters for the Jl:+ excited
state (De = 0.031 eV, r = 6.2 R) which arises from the
2 e 2
same atomic products S + s.
bFrom the measured Stark coefficient µ~/Bo = 1.81 x lo- 18
cmJ and assuming B 0 = 0.0631 cm-1 (5) obtain µet(v=O) =
4.7 D.
5 flame-photometric value (5.2 eV) of (7), but substan-
(1) Walter, Barratt, PRS A fil, 257 (1928).
(2) Weizel, Kulp, AP(Leipzig) ~' 971 (1930).
(J) Neumann, Pauly, PRL 20, 357 (1968); JCP ~'
Naes (continued)&
(4) Schlier, Vietzke, CPL J, 250 (1969).
(5) Dagdigian, Wharton, JCP 2.Z, 1487 (1972).
Na.Fs aValue recommended by (17) and based on the highest Na
levels observed in chemiluminescent emission from the
reaction Na 2 + F ~ Na.F +Na*. It is in agreement with the
5
tially higher than the thermochemical value {4.9 eV)
3
given by (6) or derived from the data in (16).
2548 (1970). bFrom the IR spectrum (11)(14).
NaF (continued) 1 NaF (continued) 1

cFor IR frequencies in low-temperature rare gas matrices (6) Brewer, Brackett, CRev 61, 425 (1961).
see ( 9). (7) Bulewicz, Phillips, Sugden, TFS j]_, 921 (1961).
d
re = + 0.00002335. (8) Bauer, Lew, CJP 41, 1461 (1963): 42, 830 (1964).
eµei.[D] = 8.123 + o.o644(v+~) + o.0003 (v+!) 2 , v~ 2 (10) (9) Snelson, Pitzer, JPC ftl, 882 (1963).
5 7
(12); see also (8). Na quadrupole coupling constant, de- (10) Hollowell, Hebert, Street, JCP 41, 3540 (1964).
pendence on v (8)(10)(12); earlier, less accurate values (11) Ritchie, Lew, CJP 42, 43 (1964).
by the magnetic resonance method (2)(3)(5). (12) Gr~ff, Werth, ZP 1§.J., 223 (1965).

(1) Muller, AP(Leipzig) 82, 39 (1927). (13) Veazey, Gordy, PR A 1.J!2., 1303 (1965).
(2) Zeiger, Bolef, PR §2, 788 (1952). (14) Baikov, Vasilevskii, OS(Engl.Transl.) 22, 198 (1967).
(3) Logan, Cot~, Kusch, PR 86, 280 (1952). (15) Geiger, Pfeiffer, ZP 208, 105 (1968).
(4) Barrow, Caunt, PRS A~' 120 (1953). (16) JANAF (1971).
(5) cote, Kusch, PR .2Q, 103 (1953). (17) Ham, JCP 60, 1802 (1974).

NaCl., NaCL+, NaCl.- (continued)1 NaCl., NaCl.+, NaCl- (continued)1

( 1) See ref. ( 1) of NaF • (14) See ref. (7) of NaF.
(2) Levi, Dissertation (Berlin, 1934). (15) Clouser, Gordy, PR A 1.J1, 863 (1964).
(3) Nierenberg, Ramsey, PR~' 1075 (1947). (16) Davidovlts, Brodhead, JCP 46, 2968 (1967).
(4) See ref. (2) of NaF. (17) See ref. (15) of NaF.
(5) See ref. (3) of NaF. (18) Hebert, Lovas, Melendres, Hollowell, Story, Street,
(6) Stitch, Honig, Townes, PR 86, 813 (1952). JCP 48, 2824 (1968).
(7) See ref. (5) of NaF. (19) Cederberg, Miller, JCP jQ, 3547 (1969).
(8) Ochs, Cote, Kusch, JCP 21, 459 (1953). (20) de Leeuw, van Wachem, Dymanus, JCP ..5.J., 981 (1970).
(9) Honig, Mandel, Stitch, Townes, PR .2£., 629 (1954). (21) JANAF (1971).
(10) Gurvich, Veits, DPC 116, 639 (1957). (22) Goodman, Allen, Cusachs, Schweitzer, JESRP J, 289 (1974).
(11) Rice, Klemperer, JCP _g_z, 573 (1957). (23) Potts, Williams, Price, PRS A .1!:1, 147 (1974).
(12) Gurvich, Veits, BASPS 22,' 670 (1958). (24) Ismail, Hauge, Margrave, JMS 2±:, 402 (1975).
(lJ) See ref. (6) of NaF. (25) Jordan, JCP .Qi, 1214 (1976).

439
 440
State w we x e Observed Transitions References
e
Design. l v 00

µ = 0.96549966 MAR 1977

Extensive 'theoretical calculations have been made of X 1 E+ ( 7) ( 9) ( 10) [see also ( 6) ( 8) J and
of A 1 E+, B 1 n, a JE+, b Jn, c JE+ (9)1 B, a, and care predicted to be unstable. The cal-
culations of (9) include transition moments, band strengths, line strengths, and the far-
wing broadening of the sodium D lines; see also (14). Additional higher excited states have
been computed by (11).
b Jn (J0940)b (419)b (50)b (2.22)b
A lE+ 22719 Jl0.6c Z J.209 Af~X, R 22294.5 z (l)* (2)*
(J)(4)
x lE+ 0 1172.2 z 4.9012 1.8874

23Na.2H µ = 1. 85186304 MAR 1977

A lE+ i A~ X, R v(7-0)= (J)
24106.2 z
x lE+ 0 2.5575 0.0520 1.8866

23 Na""He
µ = 3.40907143 MAR 1977
23 Na ""He+

Interaction potentials for X 2 E+, A 2 rr, B 2 E+ have been calculated by (1)(2)(5)(6), for
X 1 E+ by (2); see also (J). The coefficients of collision-induced absorption by Na-He in
the region 0 - JOO cm-l have been evaluated by (4).

n0O = 3.00 ev a I. P • = 7. 64 e Vb MAR 1977 A

Peaks in the electron energy loss spectrum at 3.3, 5.7, 8.1, (20.0), Jl.O eV. (15)
A Dense, discrete rotational structure in absorption from 18500 to 33950 cm-1 (2)(8)(18), maxi-
mum of absorption at J080o. 0 At higher energies continuous absorption with maxima at l'V38900
Na 1H, Na 2H1 Na1 H, Na 2H (continued) 1
aTheoretical value as modified by (10); the computational (5) Jain, Sah, JCP ]§, 1553 ( 1963).
results are DO e
= 1. 92 ( 10) and 1.88 eV ( 9). Extrapolation (6) Varshni, Shukla, RMP J.2, 130 (1963).
of the ground state vibrational levels suggests 2.1 eV. (7) Cade, Huo, JCP !±1, 649 (1967).
bTheoretical predictions of (9) who feel, however, that (8) Cade, Bader, Henneker, Keaveny, JCP 2.Q, 5313 ( 1969).
the true potential of this state is considerably deeper (9) Sachs, Hinze, Sabelli, JCP 62, 3367, 3377, 3384,
than the calculated potential curve. 3389, 3393 (1975).
cAnomalous potential curve [an RKR curve has been con- (10) Meyer, Rasmus, JCP .2], 2356 (1975).
structed by (5)]; 6G(J/2 ••• 39/2) = 329.9, 337.2, J43.7, ( 11) Numrich, Truhlar, JPC 1.2, 2745 (1975).
349.6, 353.9, 357.4, 359.2, J60.3, 360.1, 359.5, 357.7, (12) Baltayan, Jourdan, Nedelec, PL A~' 443 (1976).
354.3, 352.3, 348.4, 343.9, 340~0, 333.7, 330.0, 323.7 (13) Dagdigian, JCP 64, 2609 (1976).
[from band origins (4)]. (14) Watson, Stewart, Dalgarno, MP J,g, 1661 (1976).
d
B1 ••• B = 1.823, 1.875, 1.908, 1.930, 1.938, 1.941,
7 NaHe, NaHe + 1
1. 936 (4).
eHe ~ + 5. 7 x lo-8 (4); both Dv and Hv decrease with in- (1) Baylis, JCP ..21, 2665 (1969).
creasing v. (2) Krauss, Maldonado, Wahl, JCP 2±,, 4944 (1971).
fRadiative lifetimes T(v'=3;J'=8) = 24. 0 ns, 't"(4;11) = (3) Bottcher, CPL 18, 457 (1973).
28. ns, 't'(5;16) = 27. 1 ns (12); ~(8;3) = 22. ns (13).
3 7
(4) Bottcher, Dalgarno, Wright, PR A z, 1606 (1973).
gw y = + 0.160, w z = - 0.005 (4). (5) Pascale, Vandeplanque, JCP 60, 2278 (1974).
h e e e e
Rotational constants from (J), f3e = - o.03x 10-4 • (4) (6) Bottcher, Cravens, Dalgarno, PRS A J1.§., 157 (1975).
gives Be = 4.886, ae = 0.129, De ~ 3.15x lo- 4 , He ~
+ 1. 7 x 10-8 but includes only levels with v" ~ 3. NaI 1 ~issociative photoionization of NaI (12). Thermochemical
i6G(l5/2 ••• 33/2) = 255.05, 256.92, 258.48, 259.39, 260.04, values (9) tend to be slightly higher, atomic fluores-
260.22, 260.08, 259.61, 258.85, 257.6 (from b. origins). cence gives slightly lower values (neglecting, however,
jB ••• B17 = 1.010, 1.012, 1.012, 1.010, 1.007, 1.003, the thermal population of the ground state vibrational
7 levels); for references see (12). Flame photometry sug-
0.998, 0.991, 0.984, 0.975, 0.95.
k Dr··D17=o.53x10 -4 ••• 0."t"l'X'"' 10 -4 • gests 3.1 eV (10).
3
J,foe = - O. 009 x 10-4 • bFrom photoionization (12); in good agreement with the
photoelectron spectrum (21).
(1) Hori, ZP 62, 352 (1930). cin inert gas matrices absorption bands from 25000 to
(2) Hori, ZP .z!, 478 (1931). 26000 cm- 1 (19); the vibrational interval in Ar is 1Vl66
(3) Olsson, ZP .2J., 206 (1935).
(4) Pankhurst, PPS A 62, 191 (1949). (continued on p. 442 )

441
 442
State w wx Observed Transitions References
e e e
Design. l v 00

23
Na 1271 (continued)
and 46300 cm- 1 (1)(2).d Bands in emission from 24000 to 20000 cm- 1 (2).
0 258e (Z) (1.0 8 ) 0.1178056
1 0.0006477 f o.9734 g 2.71145
2
Rot.-vibr. sp. (7)
7
Rotation sp. (6)(11)
Mol. beam rf electrich (16)(17)
and magn. reson.i (3) (4) (5)
(13)

MAR 1977
952ok }
l??Ok
Removal of an electron from the halogen 5p shell of Na+I-.
Ok

µ = 14.4586992 I.P. = 4.5 evb MAR 1977 A

E 25228c 95.8 H 0.94 E~X, R 25214 H (2)
5
D ( 1 n) 20090.6 82.17 H o.35od D+-X, R 20070.0 H (1)(2)*
c 1n 16993.8 71.3
3
z l.236e o.0~74 4
o.00007 8 f 32. 1 g 4.50 C+-X, R 16967.2 z (1)(2)* (8)
5
A ( 1 L+) 12139.7 79.852 H o.0872h 1
A"--X, R 12118.o H (1)
X lL+ 0 124.134 Z 0.5llj 0.0905 0.000458 k 8.ll 3.58 Mol. beam rf electrici. (5)
4 9
Note1 It now appears that the ground state constants of (6) are unreliable; the uncertainty and magn. reson.m (4}
===::__also affects the new results for the C state (8) [Arimondo, private comm.(1978)].~--...__~~~~~~~~~~--~~~~~

NaI (continued), NaI+ 1

f
duv absorption cross sections (14). re =+ 0.00000143.
eFrom the IR spectrum (7). Application of the Dunham re- gfo = - o.0005x 10-7.
h e
lations to the microwave results of (11) gives we 259.2 0 , µel.[D] = 9.210) + 0.0507(v+-!), v~2 (16). Electric quadru-
wexe = 0.964-. pole coupling constants, dependence on v (17); earlier
NaI, NaI+ (continued)1 NaK1 aExtrapolation of the vibrational levels in C 1 n assuming
results by the magnetic resonance method (3)(4)(5). that this state has no potential maximum.
i bPhotoionization appearance potential (3).
.gJ = (+)0.027 µN (13).
JFrom Dg(NaI) + I.P. (Na) - I.P. (NaI); (21) give 0.60 eV. cRecalculated; (2) gives 25201 which must be erroneous.
kFrom the maxima in the photoelectron spectrum (20)(21). dw e y e - 0.00814.
eweye = + 0.008 8 , weze = - 0.00022 • All constants obtained
(1) Schmidt-Ott, ZP £2., 7.24 (1931). 3
from a study of the C state vibrational-rotational struc-
(2) Levi, Dissertation (Berlin, 1934). ture by laser excitation and collision-induced dissociation
(3) Nierenberg, Ramsey, PR .z.g, 1075 (1947). (8). Similar vibrational constants have been derived by (1)
(4) Logan, Cot~, Kusch, PR 86, 280 (1952).
from absorption and magnetic rotation spectra; convergence
(5) Cbte, Kusch, PR .2Q, 103 (1953). limit at 18025 ! 250 cm- 1 above X lL+(v=O), corresponding
(6) Honig, Mandel, Stitch, Townes, PR .2..§., 629 (1954). to Na ( 2 s ) + K ( 4p 2P ) •
(7) Rice, Klemperer, JCP _gz, 573 (1957). f
oe = - 0.000002 •
(8) Berry, JCP _gz, 1288 (1957). 3
gCentrifugal distortion constants as given by (8) and (6)1
(9) Brewer, Brackett, CRev 61, 425 (1961).
there is no agreement with D values calculated from
(10) Bulewicz, Phillips, Sugden, TFS ..21, 921 (1961).
hw y = - 0.00389. e I 4Be 3/we 2 •
(11) Rusk, Gordy, PR ]d1, 817 (1962). 1. e e 3
Perturbations (possibly by a Il state) are very likely
th
e
(12) Berkowitz, Chupka, JCP !±2, 1287 (1966). cause for the appearance of a weak magnetic rotation sp ••
(13) Mehran, Brooks, Ramsey, PR 141, 93 (1966). j - 7 • 9 x 10 - 5 (v+-! ) 3 - 2 • 4 x 10 - 7 ( v+~ ) 4 - 2 • 5 x 10 - 7 ( v+~) 5 ( 6 ) •
(14) Davidovits, Brodhead, JCP 46, 2968 (1967). 7 0
k - 9 • 4 x 10 -7 ( v+~ ) 2 - 9 • 08 x 10 - 8 ( v+t ) 3 ( 6 ) •
(15) Geiger, Pfeiffer, ZP 208, 105 (1968). 2
(16) Hebert, Lovas, Melendres, Hollowell, Story, Street,
l
µel(v=O) = 2.66 7 D [recalculated from µ 0 /Bo
cm3 (5) with the new value for B0 ]. Electric quadrupole
JCP 48, 2824 (1968).
coupling constants (5)1 see also (4).
(17) Miller, Zorn, JCP 2.Q, 3748 (1969).
mgJ = 0.0253 µN (4). For an NMR experiment using optical
(18) Berg, Skewes, JCP 21, 5430 (1969).
pumping see (7).
(19) Oppenheimer, Berry, JCP 2±., 5058 (1971).
(20) Goodman, Allen, Cusachs, Schweitzer, JESRP ], 289 (1) Loomis, Arvin, PR 46, 286 (1934).
(1974). (2) Sinha, PPS 60, 447 (1948).
(21) Potts, Williams, Price, PRS A J!±l, 147 (1974). (3) Foster, Leckenby, Robbins, JP B ~' 478 (1969).
(4) Brooks, Anderson, Ramsey, JCP 2§., 5193 (1972).
(5) Dagdigian, Wharton, JCP ..21, 1487 (1972).
(6) Toueg, Thesis (Columbia u., 1974), quoted by (8).
NaK: (8) Allegrini, Moi, Arimondo, CPL !±2, 245 (1977). (7) Konig, Weber, CPL 44, 293 (1976).

443
 444
State T w we x e Observed Transitions References
e e
Design. l v 00

23Na<slf.)Kr (µ = 18.045680 2 ) D:= 0.0085 eVa MAR 1977

Attractive potential; emission continuum with maximum at 23260 cm- 1 ,
c 2.E shifted to the red by 2480 cm- 1 from the forbidden Na 4s-3s line at C-+ X, (5)
{
25740 cm- 1 •
Unstable except for a very small van der Waals minimum (2); respon-
B 2.E sible for the far-blue-wing fluorescence spectrum of the Na D lines (4)
{ (16956 and 16973 cm- 1 ) in a Kr atmosphere.
A 2n Attractive potential; D l'l1 730 cm- 1 • b
e
I 3. 25b
a
A~X, (4)
x 2r;+ 0 Repulsive except for a small van der Waals minimum (2)(4). 4.7
I
3

23Na<2o)Ne
B
A
2r;
2n

x 2r;+ 0
(µ = l0.6932986}

De = (0.0050) eVa
De = 0.0149 eVa
DO= 0.0014 eva
_llJ)a 2 a
3
8 a
MAR 1977 A

e 2

23 Na. 1'0 µ = 9.4324071 D0O = 2. 6 0 ev a MAR 1977

A ( 2r:) (1500)b (548)b (0.470)b (l.95)b
x ( 2rr) 0 b (526}b (0.425)b {2.05}b
I
2.3Na.'6Q+ 0
DO = o.8 eve

23Na.css>Rb (µ = 18.0915140) MAR 1977

A second system (18400 - 18800 cm- 1 } has not been analyzed. (l}
16421.8

l
61.49 H 0.9451 H- X, (R) 16399.1 H (2)
0 106.64 H o.455 Mol. beam el. deflectiona (J)
l
 State we x e Observed Transitions References
Design.
l voo

23NaC131>Xe D~ = o. 0124 eva MAR 1977

Attractive potential; continuous emission with maximum at 22690 cm- 1
c 22: shifted to the red by 3050 cm- 1 from the forbidden Na 4s-3s line at
' c~x (5)
{ 1
25740 cm- •
Unstable except for a small van der Waals minimum (2); responsible
B 22: for the far-blue-wing fluorescence spectrum of the Na D lines (16956 B~X, (4)
{
and 16973 cm- 1 ) in a Xe atmosphere.
A 2rr Attractive potential; De = 1130 cm -1 • b I A-? X, (4)
x 22:+ 0 Repulsive except for a small van der Waals minimum (2)(4).
I -
NaKr, NaXe: NaNe (continued)s
8From atomic scattering data (l); see also (2)(J). (1) See ref. (2) of NaKr, NaXe.
bMorse potential parameters from the analysis (4) of (2) Pascale, Vandeplanque, JCP 60, 2278 (1974).
the extreme-red-wing fluorescence spectrum of the Na (J) Carter, Pritchard, Kaplan, Ducas, PRL ..15., 1144 (1975).
D lines in the presence of Kr or Xe gas; w ~ 74 or
. e
83, respectively. See also (2). Nao, Nao+,

(1) Duren, Raabe, Schlier, ZP 214, 410 (1968).
(2) Bay1is, JCP 21,, 2665 (1969).
(3) Nikiforov, Shcherba, OS(Engl. Transl.) E, 567 (1972).
(4) York, Scheps, Gallagher, JCP .£1, 1052 (1975);
Scheps, Gallagher, JCP .§2, 859 (1976).
(5) Tam, Moe, Bulos, Happer, OC 16, 376 (1976).
NaNe: aAll constants derived from high-resolution measure-
ments of differential cross-sections for scattering
of Na in the 2s ground and 2P excited states from Ne
(J). There is serious disagreement with the pseudo- NaRbs
potential calculations of (1)(2). NaXe 1
aThermochemical value [mass-spectrom.(2), calorim.(J)].
bTheoretical results, average of two calculations (4)(6).
The relative term values of the two states are in quali-
tative agreement with deductions made from a magnetic de-
flection analysis of the reactive scattering of Na+ N02'
see (1).
cFrom a merging-beam study of the reaction CO+(Na,C)NaO+
(5). See also (4).
References on p. 447 •
See p. 447.
See NaKr.

445
 446
State Te w
e
w x
e e Be
I
l
rxe De
(lo-7 cm- 1 )
re
(.R)
Observed Transitions
Design. 1 voo
References

93Nb2 µ = 46.4531902 MAR 1975

A (280)a A+-X,a (18704) (1)
x

93 Nb 11-N
1
0
I l
µ = 12.16894202 OCT 1975
3~
4-+ 3 l:!.3' R 16859.91 HQ
A 3~ 0-0 sequence only. [o.4951]a [3.8]a [1.6727] 3v 3-t 3 l:!.2' R 16542.89 HQ (1)
3~ 2~ 3l:!.l' R 16144.57 HQ
(X)31:!. [(1002.5)]b [o.501o]a [3.5]a [1.6623]

93Nb 160 µ = 13.64565641 D00 = 7.8 ev a OCT 197 5

G 4I:- b 21385.3 850.5 z o.4001b 0.0019 2.7 1. 757 2 G~X, R 21316.2 z (1) (3)* (4)*
3°37
(5)* (9)(11)
F (20740) (908)c (4) F+-X,c (20704) (11)
D (16640) [(932)]d D.-X,d (16618) (11)
c (15580) (904)d (2) c~x, d (15544) (10) (11)
B (15300) (891)d (4) Bt-X,d (15256) (11)
E (15270) (847)d ErX, d (15206) (11)
A' A'.-X,d (14467) (11)
A (13720) [(899)]d A+- X, d (13676) (11)

x 4I:- b 0 989.0 z 3.83 o.4321b 0.0021 2.2 1.6909 IR and ESR sp. e (10) (11)

NbO+ The emitter of a spectrum tentatively attributed to NbO+ (1) has been shown by isotopic
subs ti tut ion to be NbN ['r. M. Dunn, quoted in ( 2) J. For references see NbN.
Nb 1 aAbsorption in Ar matrix at 14 K. NbO (continued)1
2
(1) Green, Gruen, JCP :i]_, 4462 (1972). cOnly observed in a Ne matrix where the F state interacts
with the nearby G 4 E- state.
NbN, Nb0+1 dAbsorption in rare gas matrices. Data are for Ne except for
aConstants for the F 2 component. Large nuclear hyperfine E~X which is only observed in Ar. So far, no satisfactory

structure in 36 and 36 , b ~ 0.196 cm- 1 (3). A smaller analysis was given for the complex systems of R shaded
1 3
effect was also observed in the excited 3¢ state (3). emission bands in the gas phase spectrum from 13300 to
14
bIR spectrum of Nb N in Ar matrix at 14 K (2). Identity 18200 cm- 1 (1)(2)(5)*; see, however, (8)(12).
with the lower state of the gas phase sp. not certain. ein rare gas matrices.
(1) Dunn, Rao, Nature 222, 266 (1969). (1) Rao, IJP 24, 35 (1950).
(2) Green, Korfmacher, Gruen, JCP 2§., 404 (1973). (2) Rao, Premaswarup, IJP ~' 399 (1953).
(3) Femenias, Athenour, Dunn, JCP Q], 2861 (1975); see (3) Uhler, AF~' 265 (1954).
also Femenias, Athenour, Stringat, CJP .,2.g, 361 (1974); (4) Rao, Nature 12J, 1240 (1954); PNISI A 21, 188, 219
..21, 542, 2353(erratum) (1975). (1955) •
(5) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
NbO: aThermochemical value (mass-spectrom.)(6). (6) Shchukarev, Semenov, Frantseva, ZNK 11, 233 (1966).
bThe rotational analysis by (3) of seven bands in the Engl. transl. in RJIC 11, 129 (1966).
G- X system assumed that they represent a 2 6- 2 6 tran- (?) D. Richards, Thesis (Oxford, 1969).
sition. More recently, additional branches were found (8) Dunn, in "Molecular Spectroscopy1 Modern Research"
(7)(8) having very wide nuclear hyperfine structure (ed. Rao and Mathews), p. 231. Academic Press (1972).
[b~ 0.19 cm- 1 (12), as compared to 0.165 cm- 1 from the (9) Singh, Shukla, JQSRT 12, 1249 (1972).
matrix ESR spectrum (11)]. The four branches of (3) (10) See ref. (2) of NbN.
probably represent the F 2 and F components of the (11) Brom, Durham, Weltner, JCP 61, 970 (1974).
3
4 E-- 4 E- transition. The rotational analysis by (4) (1,2) See ref. (3) of NbN.
appears to be in error.

Nao, Nao+, (1) Herm, Herschbach, JCP ..2,g, 5783 (1970).
(2) Hildenbrand, Murad, JCP jJ, 3403 (1970).
(3) O'Hare, JCP j_Q, 4513 (1972).
(4) O'Hare, Wahl, JCP j_Q, 4516 (1972).
(5) Rol, Entemann, Wendell, JCP 61, 2050 (1974).
(6) So, Richards, CPL J,g_, 227 (1975).
NaRb1 aµ2;.s = 6.6x 10-l9 cm31 assuming B= 0.0734 cm-l (J) derive
an electric dipole moment of 3.1 D.
(1) Walter, Barratt, PRS A .Jd.2, 257 (1928).
(2) Kusch, PR~' 218 (1936).
(J) Dagdigian, Wharton, JCP :iJ.., 1487 (1972).

447
 448
State Te w w x Be ae De re Observed Transitions References
e e
e
(lo- 6 cm- 1 ) (i) Design. I voo

itt-N 798r µ = 11.8928)845 D00 = 2.9 0 eva MAY 1977

b 11:+ 14787.J ?85.5 H 4.J6J o.4?JJb 0.0152 1.7306 b-> X, c v 148J4.J H {1)(2)*
x Jc co+) od 691. 75 H 4.720 o.444db o.oo4od 1.787 Vibration sp. e ( 3)

1
""N 35 Cl µ = 9.99902349 MAY 1977
b lL:+ 14984.6 935.6 HQ 5.4 [0.6828 4 ] [1. 65] [1. 571J] b-+X, v 15038. 94 z (3)*
x JI:- 0 82?.0 HQ 5.1 [o.6468 ]a [1. 78] [1.6144] Vibration sp. b (1)(2)
5

c11t2> Nd t9 F = 16.7552378) o
D0 = 5~ 8
a MAR 1975
{µ
7 eV

(14-2.)Nd IE>Q (µ = 14.37469360) D0O = 7.3 3 eva MAR 1975 A

Additional bands at higher energies ( < 24000 cm- 1 ). (1)(3)
Numerous R shaded and a number of V shaded bands in emission from 11460 to 15950 cm -1 • (2)*

<1,,.2>N d<32>S (µ = 26.0932231) o00 = 4.8 5 eVa MAR 1975

(141>Nd cso>se (µ = 51.1250391) 0

Do = J.93 eva MAR 1975

(llf.2.)N d. C13o>re = 67.821022) 0 a

(µ Do = 3.1 2 eV MAR 1975
NBr1 aEstimated from the highest v' value observed in NdF1 aThermochemical value (mass-spectrom.)(l).
b~X emission from the reaction N( 4s)+Br( 2P3)-+ (1) Zmbov, Margrave, JCP !±,2, Jl67 (1966).
2
NBr* ~ NBr + hv (2).
bPotential functions (4). NdO 1 aThermochemical value (mass-spectrom.) (4), recalc. ( 5).
cFranck-Condon factors (5). (1) Piccardi, AANL (Ser. 6) 21, 584 (1935).
dOnly levels with N = J+l, i.e. F1 (N) corresponding in
(2) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
case "c" to the a+ component, have been observed at (J) Herrmann, Alkemade, "Chemical Analysis by Flame Photo-
high resolution. For this reason, and since only B)
metry", Interscience (1963).
and B? have been determined (assuming A~ 8. 7, t ~ -0. 7) (4) Ames, Walsh, White, JPC 11, 2707 (1967).
the values of Be and ~e are not very precise. (5) Smoes, Coppens, Bergman, Drowart, TFS £2, 682 (1969).
ein argon and nitrogen matrices, 6G(~) = 691.
(1) Elliott, PRS A .±Q2, 469 (1939) • NdS1 aThermochemical value (mass-spectrom.)(l), recalc. (2).
(2) Milton, Dunford, Douglas, JCP J..2, 1202 (1961). (1) See ref. (5) of NdO.
(J) Milligan, Jacox, JCP 40, 2461 (1964). (2) Bergman, Coppens, Drowart, Smoes, TFS 66, 800 (1970).
(4) Singh, Ra.i, IJPAP .!:!:, 102 (1966).
(5) Itagi, Sha.mkuwar, Itagi, IJP !±,2, J85 (1971). NdSe, NdTe 1
aThermochemical value (mass-spectrom.)(l).
NCl1 aSpin coupling constants A0 = 1.77 6 , to = -0.0071 • ~
5 (1) See ref. (2) of NdS.
bin argon and nitrogen matrices, 6G(~) = 825.
(1) Milligan, JCP J..2, J72 (1961).
(2) See ref. (J) of NBr.
(3) Colin, Jones, CJP !±,2, 301 (1967).

449
 450
State T w w
ex e Be a'e De re Observed Transitions References
e e
(10- cm- 1 ) (.R) Design.
l voo

c2o>Ne 2 (µ = 9.9962203) 0
Do = 0.00202 eVa MAR 1977
Progr. of three b.c converging to 1 s + 5s'[~J •
M (O+)
u (166580) [30Jb H (10)
1 M~X, 16659ob H (4)
1
L (O~) (166362) [70]b H (7.5) Progr. of four b.c converging to s+5s'[~] 0 • L~X, (V) 16639ob H (4)
K (O+) (165750) [5o]b H (10) Progr. of five b.
converging to ls+ 5s[tJ1· K+-X, v 16577ob H (4)
u
J (lu) (164220) [19o]b Progr. of nine b.d converging to ls + 5s[iJ2. J~X, 16431ob (4)
-1 1
Diffuse unclassified bands 162940 - 164040 cm , correlated to s + states derived from 2p54p. (4)
I (161950) [79Jb H Progr. of five b.e converging to ls + 3d, [ ~ J1. I+- X, 161980b H (4)

H (O+) (160322) [201]b H (7) Progr. of eight b.f converging to ls+ 3d[!J1·g H+- X, v 160415b H (4)*
u
G (O+) (160233) [213]b H (9.3) Progr. of eight b.f converging to ls+ 3d[f]1· G+- X, v 160334b H (4)*
u
F (O+)
u (159347) [6o]b H (7.5) Progr. of four b. converging to ls+ 4s '[! J1. F+- X, v 159370b H (4)*
E (O~) (159135) [8o]b H (10) Progr. of four b. converging to ls + 4s ' [ ! ] o. E+- X, v 159170b H (4)*
D (O+) (158635) [6o]b H (10) Progr. of three b. converging to ls + 4s[ fl1. D+-X, v 15B66ob H (4)*
u
c (lu) (156480) [29o]b (10) Progr. of ten b.h converging to ls + 4sUJ2· C+- X, (V) 156620b (4)*
1 1
Diffuse unclassified bands 150400 - 153600 cm- , correlated to s +states derived from 2p53p. (4)
1
Theoretical potential functions, vibrational levels, and lifetimes for states derived from s+ 2p53s l,3p are given by (9).
(lu) (135900) Unstable; responsible for broadening to shorter wavelengths of the resonance line at 735.9 ~. (4)*
Only two levelsf observed, correlated to 1 s+ Js'[~J .g B+-X,
B (O+)
u (135761) [58]b H
1 I
v 135778b H (4)*
(lu) (134500) Unstable; responsible for broadening to shorter wavelengths of the resonance line at 743.7 R. (4)*
A ll:+(O+)
u u (133800) [176]b H
i Progr. of four b.f converging to 1 s + 3s[~J .g A+- X, 1 I
v 133899b H (4)*
Continuous emission with maxima at 134400 ("first continuum") and 121200j ("second continuum") (l)*
 State Te w
e wx Be ae De re Observed Transitions References
e e
(10- cm- 1 ) (R) Design. J voo

(2o>Ne 2 (continued)
a 32::+ Not observed in absorption from the ground state, but tentatively assigned as lower state of
u
an absorption at 12270 cm -1 in
. Ne ( 200 - 1060 torr) excited by high-current short-duration
electron bursts from a Febetron source (10); lifetime 't~6.6 µs. 2
x 12::+
g 0 [13.7Jk H
l [0.17] (0.06)
l l [3.15]

c2o>Ne 2+ De
0
= l.30 eVa MAR 1977
Theoretical potential functions for the ground state and excited states arising from
1s + 2Pa (4).
1
2:,2
Footnotes and
references
x 22::+
u 0 (510)b
l (0.554)b
l l (l.75)b on p. 453 •

aFrom ~G"(~) observed in the VUV absorption spectrum (4) i~G(v+i) = 93, ~G(v+~) = 40.
and the binding energy of v=l (6) as corrected by (7). jAttributed to A~X (4), possibly also contributions from
(7) recommend D~= 28. 6 cm- 1 (0.0035 eV), a value derived kzero-point energy 12.) cm- 1 [see (7)]. j a~x.
5
from solid-state data (5a) and in fair agreement with the
(1) Tanaka, Jursa, LeBlanc, JOSA 48, 304 (1958).
Ne-Ne scattering data of (2) and (5) [ 31. and 29. cm -1 ,
9 7 (2) Siska, Parson, Schafer, Lee, JCP ..22, 5762 (1971).
resp.] and the ab j..nitio calculations of (J) and (8)
(3) Gordon, Kim, JCP ...2.§, 3122 (1972).
[28. 2 and 27. 2 cm- 1 , resp.Jr see also (11) who give 30. 2 •
(4) Tanaka, Yoshino, JCP 5J.., 2964 (1972).
bLowest observed level and interval ~G(v+?t); the first ob-
(5) Farrar, Lee, Goldman, Klein, CPL 1.2, 359 (1973).
served band may not have v' = O.
(5a)Goldman, Klein, JLTP 12, 101 (1973).
cit is not certain that these two progressions belong to
(6) Tanaka, Yoshino, Freeman, JCP ,22, 564, 5748(erratum)
two separate electronic states.
dAll bands are very diffuse.
(7) Le Roy, Klein, McGee, MP 28, 587 (1974) I
(1973).
(8) Stevens, Wahl, Gardner, Karo, JCP 60, 2195 (1974).~
eirregular intervals and intensities; tentative classifi-
(9) Cohen, Schneider, JCP 61, 3230, 3240 (1974).
fRotational structure partially resolved. I
cation.
(10) Oka, Rao, Redpath, Firestone, JCP 61, 4740 (1974).
gAlso weaker progression with v" = 1.
(11) Nain, Aziz, Jain, Saxena, JCP .£2., 3242 (1976).
hDiffuse bands.

451
 452
State Te w wx «e De re Observed Transitions References
e e e
( 10- cm- 1 ) (i) Design. I voo

<20>Ne 4- 0Ar (µ = 13.32579309) DO= 0.0062 eVa MAR 1977

e
x 12:+ 0 [(20.9)]b ng = (o. 0045) evb
J l J.4Ja Translational sp.c (1)

c1olNe4oAr+ MAR 1977

AJ (!) (4696o)a A3~X2 45J80

A2 (f) (46180)a A3-+ Xl 46960
(45920)a Five band groups [called A,B,C,D,E by (l)] with some vibrational 44590 (1)
Al (!) structure which has, however, not been assigned. A2-> X2
X2 (ta) (1585)a A2-> Xl 46180b
Xl a,v 0 a Al-+ Xl 45920

c1olNe 19F (µ = 9.74137577) MAR 1977 A

No experimental results. Theoretical potential energy curves for X 2 E+ and A 2n (1).

c2.0>Ne 1H (µ = 0.95945861) MAR 1977

No spectra observed, all data are theoretical (5)1
c 22:+ (78170)a (27J7)b (14.8) ( 1. 089)
B 2n (70200)a (2913) (18.0) (0.988)
A 2E+ (70000)a (2801) (17.7) {0.996)
x 22:+ 0 a Repulsive st. with van der Waals minimum.
_J_

<10 >Ne H+
1
n00 = 2.0 8 ev c MAR 1977
Several excited states briefly discussed in (6).
x 12:+ (2917)d l (18.0)d l
 aFrom elastic scattering of Ne+ by Ne (3). A similar
value (Di= 1.3 eV) from spectral line profiles in
5
a Ne afterglow (dissociative recombination radiation
of neon) is given by (1)(2). From ab initio theory
(4) derive De = 1.17 eV.
bTheoretical values (4).
(1) Connor, Biondi, PR A 140, 778 (1965).
(2) Frommhold, Biondi, PR JJ!.2, 244 (1969).
(3) Mittmann, Weise, ZN £2. a, 400 (1974).
(4) Cohen, Schneider, JCP 61, 3230, 3240 (1974).
NeAr1 aFrom crossed-beam differential scattering measure-
ments (4).
bTheoretical values (5); the ground state potential
supports four bound vibrational levels.
cDipole moment function from ab initio calculations
(2), from translational absorption spectra (3).
(1) Bosomworth, Gush, CJP .iJ, 751 (1965).
(2) Matcha, Nesbet, PR 160, 72 (1967).
(3) Bar-Ziv, Weiss, CPL 1.2, 148 (1973).
(4) Ng, Lee, Barker, JCP 61, 1996 (1974).
(5) Bobetic, Barker, JCP 64, 2367 (1976).
NeAr+1 aThe splittings between x1 and x2 and between A2 and
A are very similar to those of the 2P ground states
3 (5) Bondybey, Pearson, Schaefer, JCP .2.'l, 1123 (1972).
of Ar+ and Ne + (1431 and 780 cm -l , resp ••
) Th e sp 1.1 t -
ting between A1 and A2 is molecular in nature; both
states arise from 2P of Ne+ (n = 1/2 and 3/2). The
312
corresponding splitting of x1 is not resolved.
NeAr+ (continued)1
bThe transition energy A2 - x1 is close to the difference of
Ne++ Ar and Ne+ Ar+ which is 46820 cm- 1 • This agreement
together with that mentioned in a makes the interpretation
by (1) of the observed spectrum as a charge transfer spec-
trum very convincing.
(1) Tanaka, Yoshino, Freeman, JCP 62, 4484 (1975).
NeF1 (1) Gardner, Karo, Wahl, JCP £2, 1222 (1976).
NeH, NeH+1
aEnergies relative to Ne( 1s),+ H(ls 2s). A, B, C have calcu-
lated dissociation energies De of 1.53, 1.50, 0.51 eV (5).
bPredicted potential hump of 0.87 eV at 2.1 ~ (5).
cFrom a comparative study of the reactions H; +He -+- HeH+ + H
and H; +Ne ~ NeH+ + H by photoionization mass-spectrometry
(2); ,D 0 (NeH+) - D0 (HeH+) = +o_.24 eV. Theoretical values for
De vary between 2.1 and 2.3 eV (1)(5)(6)1 similar values
are obtained from proton scattering on Ne (3)(4).
dTheoretical values (5).
(1) Peyerimhoff, JCP 1.J, 998 (1965).
(2) Chupka, Russell, JCP .!±2,, 5426 (1968).
(3) Rich, Bobbio, Champion, Doverspike, PR A 1, 2253 (1971).
(4) Weise, Mittmann, Ding, Henglein, ZN 26 a, 1122 (1971).
(6) Vasudevan, MP ]Q, 437 (1975).
453
 454
State Te LU LU X a-e De re Observed Transitions References
e e
l
e
(lo- 6 cm- 1 ) {i) Design. voo

<20} Ne<si,.l Kr (µ = 16.1456407) De0 = 0.0064 eva MAR 1977

x ll:+ 0 [(l8.7)]b ng = (0.0048) evb
l I 3.58a

c1o>Ne<s"">Kr + MAR 1977

A3 (~) (6079o)c A3-+X2 55310
A2 (t) (60020)c A3-+Xl 60790
Five band groups [called A,B,C,D,E by (3)] with some vibrational (
Al (!) (59770)c structure which has, however, not been assigned. A 4X
2 2 54560 (3)
x2 a) (5470)c A2-+ Xl 6002od
xl (!,t) 0 c Al-+ Xl 59770

c20>Neou>xe (µ = 17.3610604) D O = 0 • 0 0 65 e Va
e MAR 1977 A
n0°=
x ll:+ 0 [(17.5)]b (0.0048) evb
l Translational sp. (1)

c2o>NeC1ai>xe +

!
MAR 1977

A3 (!) (75300)c 64730

A2 (t) (74520)c 75300
(74460)c Five band groups [called A,B,C,D,E by (J)] with some vibrational (3)
Al (:}) structure which has, however, not been assigned. 63940
X2 a) (10575)C 74520d
X1 (!,~) 0 c (74460)

14NICJF µ = 8.0613378 9 MAY 1977

Theoretical potential functions and spectroscopic constants for the ground and several ex-
cited states (5)(6)(8).
18877.05 ll97.49 z 8.64 1.2377 0 0.01448 5.28 1. 29983 bb4X, c V 18905.20 Z (2)*
[12003.60] [1.2225]d [4.5] [l.3079] a4X, V 11435.16 Z (3)*
0 l141.37 z 8.99 i.2056 8 e 0.01492 5.39 1. 31698 Vibration sp.f (1)
 State Te w
e w x
e e Be <Xe De re Observed Transitions References
(10- cm- 1 ) (~) Design.
I voo

NF+, NF- No experimental data; ab initio calculations (5)(6)(7a). MAY 1977

NeKr, NeKr+; NF, NF+, NF-1

NeXe, NeXe+a
aFrom crossed-beam differential scattering measurements (2).
bTheoretical values (4); the ground state potentials sup-
port five or possibly six (NeXe) bound vibrational levels.
cThe splittings between x1 and x2 and between A2 and AJ are
very similar to those of the 2P ground states of Kr+ (5371
cm- 1 ) or Xe+ (10537 cm- 1 ) and Ne+ (780 cm-1 ). The split-
ting between A1 and A2 is molecular in nature; both states
arise from 2P of Ne+ (n = 1/2 and J/2). The correspon-
312
ding splitting in the ground state is not resolved.
dThe transition energy A2 -x 1 is close to the difference
between the ionization potentials of Ne and Kr or Xe, i.e.
61015 or 76096 cm-1 • This agreement together with that
mentioned in c makes the interpretation by (J) of the ob-
served spectra as charge transfer spectra very convincing.
(1) Marteau, Granier, Vu, Vodar, CR B ~' 685 (1967).
(2) Ng, Lee, Barker, JCP 61, 1996 (1974).
(J) Tanaka. Yoshino, Freeman, JCP 62, 4484 (1975).
(4) Bobetic, Barker, JCP 64, 2367 (1976).
aEstimated by (5) on the basis of spectroscopic and thermo-
chemical data; the ab initio computed value is 3.6 eV.
bLifetime 0.1 6 s, estimated ·from the rate of attenuation of
the green emission in the reaction N +NF 2 along a flow
cFranck-Condon factors (9). I tube (4).
dThe EPR spectrum of NF( 1 6) (7) yields µel = 0.37 D as well
as hyperfine coupling constants.
eSpin coupling constants Ao = 1.215, ro = -0.0048.
fObserved in argon and nitrogen matrices, 6G(~) = 1115.
(1) Milligan, Jacox, JCP 40, 2461 (1964).
(2) Douglas, Jones, CJP 44, 2251 (1966).
(3) Jones, CJP !±2, 21 (1967).
(4) Clyne, White, CPL 2, 465 (1970).
(5) O'Hare, Wahl, JCP .i!±., 4563 (1971); O'Hare, JCP _22,
3842 (l97J).
(6) Andersen, Ohrn, JMS !±2, 358 (1973).
(7) Curran, MacDonald, Stone, Thrush, PRS A~' 355 (197J).
(7a)Ellis, Banyard, Tait, Dixon, JP B 2, L233 (1973).
(8) Ellis, Banyard, JP B 1, 2021 (1974).
(9) Mohamed, Khanna, Lal, IJPAP 12, 243 (1974).

455
 456
State Te w w x Be «e De re Observed Transitions References
e e e
(lo-4cm- 1 ) (i) Design. l voo

'"'N 1H µ = 0.94016028 D00 6 3.47 eVa I.P. = (13.63) evb MAR 1977 A
Theoretical potential functions and spectroscopic constants for the ground and excited states1 ( 21) ( 44) ( 46) J {.32) ( 36) ( 51) •
d lE+ 83160 2672.6 .z 71.2 14.39oc 0.621 16.od 1.1163 de~ c, m v z (5)* (19)
39512.26
(23)(27)
(55)*
de-+b,m R 61619.60 z (29)(55)*
ln z f CJ,~b, m R
c (43744) [2122.64] 14.537ghi o.593j [22.o]k 1.1106 22106.62 z (4)* (26)*
ct.-+ a, m R 30755-54 z (1)(2)* (6)
(14)*
A Jn.l. n z 16.6745°P~ Ar~x,m
29807-4 3231.2 98.6 0.7454 [17.8o]q l.OJ69 8 s 29776.76 z (J)(8)* (18)
(35)
lE+ z t bw~x,
b 21202 3352.4 74.24 16.705U 0.591 16.ov 1.0360 s 21238 z (45)
a lli (12566)x [3188] z (68)Y [16.439Ji o.66 [16.2] l.OJ4 1 (a- X) 12589z
x JE- 0 z 16.6993a' o.6490 [17.097Jb' c•
J282.27 78.J5 l.OJ62 1 Rotation.sp. (48)(54)
Fundamental b. in matrices (45a)(55a)

N1H1 aFrom the limiting curve of dissociation inc 1 n (55), see
hand f. Theoretical calculations by (JJ)(J9){4J) suggest
Dg= 3.43, J.Jl, J.17 eV, resp.; the most recent predic-
tion on theoretical and empirical grounds (46) is ng=
J.40 eV. From the electron impact appearance potential of
N+ 0
2 from HN 3 (7) follows D0 = J.5 9 eV; a shock-tube measure-
ment (20) gives 3.2 1 eV. Both results are compatible with
limits derived from the study of reactions of rare. gas
metastables with small NH-containing molecules (Jl), the
upper limit being closer to the semi-empirical calcula-
tions of (10)(12), the lower limit being in better agree-
ment with the thermochemical measurements of (JS).
bTheoretical value (JJ); (16) give an electron impact
appearance potential of lJ.l eV.
c ( 27) report a breaking-off in the d ~ c 1-1 band above J '=15
which they attribute to predissociation in the upper state.
Intensity anomalies are confirmed ( 55) for the d ~ c 1-1 and
1-0 bands, but higher rotational levels (except J'=l6) do
emit in transitions to the b state (55). Similar intensity
perturbations are seen in other d ~ b and d~ c bands.
d
He = +10 x 10 -8 •
eRadiative lifetime 't(v=O) = 18 ns (28).
f6G(J/2) 1694.08 • The theoretical calculations of (32)
predict a potential maximum resulting from the avoided
N1H (continued)1
crossing of the two 1 n states arising from N( 2D) + H( 2s)
and N( 2P) + H( 2s ) .
gA-type doubling 6vef(v=O) = + o.0165J(J+1).
hPredissociation by rotation in v=O above J=22 and in v=l
above J=l5 (27)(55). A much weaker predissociation, not
seen on the photographic plates but detected by high-
resolution lifetime measurements [(50), see t], affects
the lower J levels of both v=O and 1 and may be caused by
interaction with the unstable 5~- state arising from
ground state atomic products. All rotational structure in
v=2 is diffuse except for J=l.
iElectric dipole moments of a 1 6, A Jn, c 1 n 1.49, 1. Jl,
1.70 D, respectively (15); see also (25).
jQ. = - O.J47 (55).
n1 = 26. 6 x 10 -4 , n 2
k e
51. Ox 10 -4 ; H0 = -2 6 x 10 -8 , H1 =
8
-115x 10- (55).
1 Lifetime T(v=0,J=2) = 411 ns (50), decreasing with in-
creasing rotation to 226 ns for J=l7 owing to weak predis-
sociation1 in v=l the longest lifetime (57.1 ns) was ob-
served (50) for J=4. See also (1J)(28) whose low-resolution
measurements gave 'l;'(v=O) ~ 460 ns. Relative transition
probabilities (41).
mFranck-Condon factors (J7)(42).
nA(v=O,l) = -J4.79; fro~ (40) who gives also spin-spin and
spin-rotation interaction constants. See also (22)(JO).
011
True" rotational constants of (40); see also (22)(JO).
.A-type doubling parameters may be found in (22)(40). The
effective constants (18) are Be = 16.6901, ae = 0.7440.
Pweak predissociation in v=O and 1 above N=25 and 15, resp.,
observed by high-resolution lifetime measurements (50) and
attributed to interaction with the unstable 5~- state
arising from 4s + 2s.
q+ 9.9x 10-8 JJ(J+l)J- lJx lo- 12 J 4 (J+l) 4 1 n1 = 17.85x lo-4,
Hl = +6.0 x lo- 8 (40).
rLifetime T(v=O,N=4) = 404 ns (50), first increasing to
45J ns at N=25, then decreasing rapidly to 96 ns at N=Jl
owing to predissociation. Similar results for v=l, see P.
Absorption oscillator strength 0.0076 (11)(1J)(28); fvalues
in (17) refer to emission and should be multiplied by 2 for
comparison. Relative transition probabilities (41).
sUndegraded 0-0 band.
t
weye = + 0.70, weze = - 0.035 (v£:9).
3
uRotational constants from the analysis of the d~ b bands
[(55), l6v"~9]. (26) gives Be= 16.7326 and C(e = o.6049
from the c-+ b 0-0 and 0-1 bands.
VH = 11 X 10-8 •
e
wRadiative lifetime 7:= 18 ms (47)(49).
xEarlier theoretical predictions by (9) and (24) gave 14200
and lJlOO cm- 1 , respectively.
YFrom a comparison with 6G(!) of ND.
zv 00 (b-X) + v 00 (c-b) - v 00 (c-a); in very good agreement with
the singlet-triplet separation of 12500 cm-l derived by
(J4) from the difference of the threshold energies for the
production of NH(c 1 n) + CO(X 1 ~) or NH(XJ~) + CO(aJn) by photo-
dissociation of HNCO. From the photoelectron spectrum of
NH- (5J) find 12735 ! 137 cm- 1 •
a',.True" rotational constants of (40); spin-splitting con-
stants r= -0.0117, A~+ o.82. The evaluation of the con-
stants by (40) takes fully into account the 3nrv3~- inter-
action and thus leads to results which differ considerably
from the effective constants of earlier investigators (8)
(18)(JO)(J5). The latter are in good agreement with more
precise constants obtained recently from the laser-magnetic-
( continued on p. 459 )
457
 4S8
State Te we wexe Be cxe De re Observed Transitions References
(lo- 4 cm- 1 ) CR) Design.
1 voo

ltt-N2H µ = 1.76083613 Dg 6; 3. 54 eva MAR 1977 A

d 12:+ 83168 1953-7 z 38.2 7.693 o. 257 b [4.8l]b 1.1156 d-+ c, v39484. 22 z (8)* (16)
d-+ b, R61721.5 (Z) (10)
lrr z c 7.833de o.379f [6.07]g c-+ b, R 22237.31 z (9)*
c 43786 1756.5 50.95 1.1055
c+-+ a, h R 30849.06 z (1) (2) (3)*
{4)*
3rr. 2982oi 2361j 53j [8.7575]k
J,,
[5.087Jk m z (J)* (5)(6)
A
1
0.2829 1. 0372 A~X, 29798.75
(7) (11)*
b 12:+ 21198 z n 1.0344 b-+X, m 21225 z (14)
[2371.81] 38.8 8.9472 0.2383 4.64
a 16 (12596) [2356.17] z (36)0 8.9542 0.2427 [4.83 8 JP 1.0340 (a-X) 12613q
x 32:- 0 2398j 42j [8.7913Y 0.2531 5 [4.904y i.03612 Rotation sp. t (15)

N2ifa ~rom the limiting curve of dissociation inc 1 rr (16)r jCalculated from the constants for N1H. The origins of the
se~ e. See also f of NH. A+7X 1-1 and 2-2 bands are at 29738.4 2 and 29658.1 cm- 1 •
9
bfe=+0.0033 (v=0,1,2), B = 6.~~4; D1 , 2 , (10- cm- )
4 1
k"True" constants calculated by (lJ) from the data of (11),
3 3 8
4.50, 4.51, 12; H0 =+2.49xlO (16). H = +1.57 x 10- • The A-type doubling parameters were also
c 0
weye = - 10.Jr evaluated by (lJ). B0 (effective) = 8.761ocm-l (6)1 for ef-
d./\.-type doubling t.vef(v:::::O) == + o.oo436J(J+l), and in- fective D , Hv values (v=0,1,2) see (6)(7).
i., v
creasing with v (8)(16). m4e = -0.003 • ae and fe refer to the effective rotational
3
ePredissociation by rotation in v=0 ••• 3 above J=JO, 25, Undegraded 0-0 band. I
constants of (6)(7).
18, 5, respectively (16). nAverage of two values obtained a) from wexe of N1H and
foe= - 0.047 (v{:,2); BJ= 5.80 (16). b) from bandhead measurements and calculated head-origin
3
gD 2 (10-4cm- 1 ) = 6.49, 8.06, 27; separations in the d-+ b system.
1 3
H0 ,' 1 ,' 2 (10 -8 cm -1 ) = -4.o, -13.2, -J8.5. °From a comparison with 6G(t) of N1H.
hObserved in absorption by (11) in the flash photolysis p D = 4 •71 x 10 ~ , H = +2. 09 x 10 ~ •
1 0
. of DN • qv 00 (b-X) + v 00 (c-b) - v 00 (c-a) •
3
r"True" B0 and D0 from ( lJ), H0 = +1. 82 x l0- 8 1 multiplet
1
A0 = - 34.581 from (lJ) who gives additional multiplet
splitting constants. See also (12). (continued on p. 461 )
N1H (continued) s (26) Whittaker, JP B 1, 977 (1968).
resonance spectrum (54) in v=O and ls Be = 16.6668, (Xe = (27) Krishnamurty, Narasimham, JMS ~' 410 (1969).
o.6470; r<v=O) = -0.05466, r<v=l) = -0.0517; A(v=O,l) = (28) Smith, JCP .,2!, 520 (1969).
+0.9198. See also (52). (29) Whittaker, CJP !±1., 1291 (1969).
b'D = 16.88 x 10-4 , H0 = +io.48 x lo- 8 , H1 = +10.2 x lo- 8 (4o). (JO) Bollmark, Kopp, Rydh, JMS J!t, 487 (1970).
c , By1 the laser-magnetic-resonance method; fine . (
see a') an d (Jl) Stedman, JCP ...2,g, 3966 (1970).
hyperfine structure constants. (J2) Kouba, Bhrn, JCP ...2,g, 5387 (1970).
(33) Liu, Verhaegen, JCP 2], 735 (1970).
(1) Dieke, Blue, PR !±j,, 395 (1934). (J4) Okabe, JCP 2], 3507 (1970).
(2) Pearse, PRS A 1ft], 112 (1934). (35) Malicet, Brion, Guenebaut, JCPPB §]_, 25 (1970).
(J) Funke, ZP .2£, 787 (1935); 101, 104 (1936). (36) O'Neil, Schaefer, JCP .ii, 394 (1971).
(4) Lunt, Pearse, Smith, PRS A 12J:, 602 (1935). (37) Smith, Liszt, JQSRT 11, 45 (1971).
(5) Lunt, Pearse, Smith, PRS A .!..2j, 173 (1936). (JS) Kaskan, Nadler, JCP ..22., 2220 (1972).
(6) Florent, Leach, JPR !J, 377 (1952). (J9) Liu, Legentil, Verhaegen, in "Selected Topics in Mole-
(7) Franklin, Dibeler, Reese, Krauss, JACS 80, 298 (1958). cular Physics"(ed. Clementi), p.19. Chemie GmbH (1972).
(8) Dixon, CJP Jl, 1171 (1959). (40) Veseth, JP B .,2, 229 (1972).
(9) Hurley, PRS A~' 402 (1959). (41) Lents, JQSRT !J, 297 (197J).
(10) Companion, Ellison, JCP jg, 1132 (1960). (42) Rao, Lakshman, IJPAP 11, 539 (197J).
(11) Bennett, Dalby, JCP jg, 1716 (1960).
(43) Stevens, JCP .2i, 1264 (197J).
(12) Jordan, Longuet-Higgins, MP _2, 121 (1962). (44) Das, Wahl, Stevens, JCP 61, 4JJ (1974).
(lJ) Fink, Welge, ZN 12. a, 1193 (1964). (45) Gilles, Masanet, Vermeil, CPL l.2, 346 (1974); JPhoC J,
(14) Shimauchi, SL !J, 53 (1964).
(45a)Milligan, Jacox, JCP 41, 2838 (1964). I 417 (1974/75).
(15) Irwin, Dalby, CJP 1}, 1766 (1965).
(46) Meyer, Rasmus, JCP ~' 2356 (1975).
(16) Foner, Hudson, JCP !±j,, 40 (1966).
(47) Zetzsch, Stuhl, CPL JJ, 375 (1975).
(17) Harrington, Modica, Libby, JQSRT ~' 799 (1966). (48) Radford, Litvak, CPL J!t, 561 (1975).
(18) Murai, Shimauchi, SL 1.5., 48, 165(erratum) (1966). (49) Gelernt, Filseth, Carrington, CPL ]2, 238 (1975).
(19) Narasimham, Krishnamurty, PIASA 64, 97 (1966). (50) Smith, Brzozowski, Erman, JCP 64, 4628 (1976).
(20) Seal, Gaydon, PPS §2, 459 (1966). (51) Hay, Dunning, JCP 64, 5077 (1976).
(21) Cade, Huo, JCP !±1., 614 (1967). (52) Palmiere, Sink, JCP £2, J641 (1976).
(22) Horani, Rostas, Lefebvre-Brion, CJP !±j,, JJ19 (1967). (5J) Engelking, Lineberger, JCP ~' 4323 (1976).
(2J) Whittaker, PPS .2.Q, 5J5 (1967). (54) Wayne, Radford, MP J,g, 1407 (1976).
(24) Cade, CJP 46, 1989 (1968). (55) Graham, Lew, CJP ..22., 85 (1978).
(25) Huo, JCP ~' 1482 (1968). (55a)Rosengren, Pimentel, JCP 1}, 507 (1965).

459
 460
State Te w w x Be lXe De re Observed Transitions References
e e e
(lo- 4 cm- 1 ) (i) Design. l voo

,,..N'H + °
n0 = (J.J9) eva MAR 1977
Ab initio calculated potential energy curves for the ground and excited states (J).
c 2r:+ (J5000) z b 0.789lC 20.0d 1.1626 Ct-+X, R J4561.27e (l)* (2)(5)*
2150.56 73.07 lJ.2652
B 21::,.. (2JJOO}f (2280) [13.516] [19] [1.1518] Bt,X, R 22960.46 8 (2)*
1
A 2r:- (22200) [1585.49] z (6l)g ll.4553h 0.6897 [20.2]i 1.2511 At~X, R 21567.67 8 (2)*
a 4r:- (500) [2520]j [14.69]j (17) [1.105] (a- X) J54ej
x 2II r Ok [2922]1. [15.35]1.m (0.64)1. [17]1. 1.070

14-N2H+ MAR 1977

0
B 21::..
1
(23JOO)n (1672) [7.2715] [5.5] [1.1474] B-+X, R 23063.83 8 (2)
A 2r:- (22200} [1182.40] z (J2}g 6.1206P 0.2752 [5.8]q 1.2507 A~X, R 21750.59e (2}
x 2n r or [214).04] z [8.244] s
[5.J] [1. 077 6]

14-N'H- I.P. = 0.381 eva MAR 1977

ob
x 2n.1
J I l l.047c

'lf-N i211 µ = 12.61148046 MAY 1977

Vibrational sp. a
x JI:- 0 [590]a
l J l (1)

N1H+' N2tt+ I
aTheoretical value ( J}, corresponding to N ( 4s} + H+. The 2n dfo ~ ..;o.8 x lo-4, H ~ +11 x lo- 8 •
e e
ground state must dissociate into N+ ( 3p) + H ( 2s). 8
Energy of lowest rotational level relative to the lowest
bSpin-splitting constants fo•••t2 = +0.105, +0.108, +0.111. level [F 1 (!)] of the ground state.
f e
ere = + 0.0089. Ao = - J.6.
N1H+, N2H+ (continued)1 N1H+, N2H+ (continued)&
gEstimated from the l1G(~) values for NH+ and ND+.
~Spin-splitting constants 00 = -0.097, Al = -0.100.
~n 1 18.6x lo-4, H0 = +18.5x lo- 8 •
JFrom the analysis of perturbations in X 2 n(v=O,l) (2).
k NH-,
Ao = + 77.8.
lv=O,l strongly perturbed by v=O,l, resp., of a 4 E- (2)(5).
mA-doubling in 2ni(v=0,J=!)' l1vf = +o.45 1 :!: 0.010 cm- 1 •
n 2 e 3E- ~ 2 n photoelectron spectrum ( 2).
Ao = - 3.5.
0H = + 1 • 5 x 10 -8 •
0
Pspin-splitting constants 00 -0.052, ( 1 -0.053.
qD = 5 • 5 x 10 - 4 •
1 Nis
r A = + 78.4.
0
sv=l strongly perturbed by v=l of a 4 E-.
tLifetimes of A, B, Cs l.o , 0.9 8 , o.40 µs, resp. (4).
9 ment.
(1) Feast, ApJ 114, 344 (1951).
(2) Colin, Douglas, CJP 46, 61 (1968).
N2tt (continued)&
splitting parameters 10 ~ +0.89 , Go = -0.0061. The evalu-
5 (6) Shimauchi, SL .J:2, 161 (1966).
ation of these constants (13) takes fully into account the
3nrv3E- interaction and thus gives results that differ con-
siderably from the effective constants (5)(6)(11). The lat-
ter are in good agreement with the more precise constants
from the laser-magnetic-resonance sp. (15), Bo = 8.7815,
A.0 =+0.9184, to=-0.0294. Effective Dv' Hv values in (6)(7).
sFrom the effective B values (5)(6)(7).
t v
Laser magnetic resonance; hyperfine structure constants.
(1) Dieke, Blue, PR~' 395 (1934).
(2) Florent, Leach, JPR !J, 377 (1952).
(J) Shimauchi, SL !J, 53 (1964).
(3) Liu, Verhaegen, JCP 2], 735 (1970).
(4) Brzozowski, Elander, Erman, Lyyra, PS 10, 241 (1974).
(5) Krishnamurthy, Saraswathy, Prama~a §, 235 (1976).
~rom the laser photodetachment spectrum (1)(2).
bA = - 63 cm-l [estimated (2)].
cFrom a Franck-Condon factor analysis of the observed
(1) Celotta, Bennett, Hall, JCP 60, 1740 (1974).
(2) Engelking, Lineberger, JCP §2, 4323 (1976).
aObserved in the condensate at 10 K of the products of a
discharge in an N2/r 2 mixture. The observation of a cor-
responding band at 573 cm- 1 for l5NI supports the assign-
(1) Minkwitz, Froben, CPL ]2, 473 (1976).
(4) Hanson, Kopp, Kronekvist, jslund, AF 1.Q, 1 (1965).
(5) Kopp. Kronekvist, Rslund, AF 1.Q, 9 (1965).
(7) Shimauchi, SL 16, 185 (1967).
(8) Whittaker, PPS .2.Q, 535 (1967).
(9) Whittaker, JP B 1, 977 (1968).
(10) Whittaker, CJP !±1, 1291 (1969).
(11) Bollmark, Kopp, Rydh, JMS J!±, 487 (1970).
(12) Kov,cs, Korwar, APH £2,, 85 (1970).
(13) Veseth, JP B 2, 229 (1972).
(14) Gilles, Masanet, Vermeil, CPL~' 346 (1974)1 JPhoC J,
417 (1974/75).
(15) Wayne, Radford, MP _lg, 1407 (1976).
(16) Graham, Lew, CJP 2§, 85 (1978).
461
 462
System

css>Ni 2
l ve W'
e
I w~x~

0
w11
e
1 \JJ~X~ Remarks
Description
Degrad.
I voo References

(µ = 28.9676679) D0 = 2.36 eVa MAR 1976 A

Absorption in the ref:ion 21790 - 23900 cm -1 j in Ar matrices at 10 K. w' ~ 192 cm -1 ( 2)

cs8>Ni. c19>Br (µ = 33.4091160) D00 = 3.6 9 eVa MAR 1975

Large number of R shaded emission bands in the region 20000 - 25600
cm- 1 • Below are preliminary assignments by (3) I
HR R, Q heads. b 24318.5c HR
System <X 1 1 24326.2 297.0 3.35 311.6 1.7 R (3)* (5)
262 H b R H
II
OC'.21 23920.3 293.2 23904.7 (3)
HR d HR
II
D<.31 23791.1 305.4 0.2 315.0 0.5 R, Q(?) heads. R 23786.4 (3)
H 2.5 322.8 1.0 b R 22960.6 H (3)* (5)
" /311 22975.5 293.8
HQ d R 22427.4 HQ
" /321 22435.9 257 274 (3)*
HQ 1.1 323.0 1.2 b R HQ (3)
II
21792.6 297.5 21779.9
0 I

cssl Ni. c3s> Cl (µ = 21.8066837) DO

0
= 3.82 eVa MAR 1975
Large number of R shaded emission bands in the regions 11000 - 15000
and 18000 - 26000 cm -1 • The ground state has not been identified and
all assignments must be considered as preliminary.
HQ b R 24613.4 HQ (1) (4) *
System A1 1 24623.7 394.5 0.35 415.5 1.3
g R 24411.6 HQ (1) (2) (4)*
II
A2 1 0-0 sequence only.
H c R 24129.8 H (1) (4 )*
II
A 1 24138.3 380 397
3 d
" B1 1 23347.1 375 H 402 R 23333.6 H (4)
406.6 H e R H (1)(2)(4)*
II
B2: 23233.1 2.75 426.3 1.9 23223.0
HQ 418.2 0.70 f 22738.8 HQ (1) (2) (4)*
" CI 22749.0 397.8 0.75 R
HQ g R 21905.2 HQ (4)*
II
D1 21914.7 398 417
g
II
El: 21762.2 405.2 H 1.3 435.3 1.85 R 21747.3 H (4)*
HQ 4o4.o 1.65 g R 21639.4 HQ (4)*
" E2: 21649.4 383.1
II
I I 20545.3 409.6 HQ 0.80 431.1 0.20 R 20534.4 HQ (7)
II
II: 20284.2 J82.8 HQ 423.9 1.35 R 20264.o HQ ( 7)
" III1 19980.l 403.6 HQ 0.05 I430.0 0.30 R 19967.0 HQ (7)
 System Ve w• w•x• w"e w"x" Remarks References
e e e e
e
Description Degrad. 1 voo

cssJ Ni (35)Cl (continued)

System IV1 18689.4 412.6 H 1.60 433.2 1.65 R 18679.1 H ( 7)
h (6)
II
F1 14441.2 407.2 H 2.5 420 R 14434.2 H
h
II
G1 12976.5 395.0 H 1.55 424 R 12961. 6 H (6)
Hi 12276.8 416.0 HQ 428 R 12270.8 HQ (6)
"
II
II 11913.1 395.0 H 1.40 402 R 11909.3 H (6)
J1 HQ 1.45 405.2 1.15 R 11508.0 HQ (6)
" 11511.3 398.7

Ni : aThermochemical value (mass-spectrom.)(l). NiCt1 aThermochemical value (flame photometry)(5).

2
(1) Kant, JCP 41, 1872 (1964). bSystem 4 of (1). Alternative assignments in (3).
cSystem 3 of (1). Alternative assignments in (2)(3).
(2) De Vore, Ewing, Franzen, Calder, CPL J..2., 78 (1975).
dAlternative assignments in (2)(3).
NiBr1 ~hermochemical value (flame photometry)(4). eSystem 2 of (1). Alternative assignments in (3).
bAlternative assignments in (1)(2). fsystem 1 of (1). Alternative assignments in (J).
cQ head at 24311.9 cm- 1 • gAlternative assignments in (J).
dAlternative assignments in (1)(2)(5). hResults of a rotational analysis in (7). Uncertain.
(1) Mesnage, AP(Paris) 12, 5 (1939). (1) More, PR 2±., 122 (1938).
(2) Krishnamurty, IJP 26, 429 (1952). (2) See ref. (1) of NiBr.
(3) Reddy, Rao, PPS 1.2, 275 (1960). (J) Krishnamurty, IJP 26, 207 (1952).
(4) Bulewicz, Phillips, Sugden, TFS 51_, 921 (1961). (4) See ref. (3) of NiBr.
(5) Sundarachary,PNASI A~' 311 (1962). (5) See ref. (4) of NiBr.
(6) Rao, Reddy, Rao, ZP 166, 261 (1962).
(7) Rao, Rao, CS]§, 589 (1969).

463
 464
State w w x Observed Transitions References
e e e
Design. I v 00

(µ = 14.3068431) APR 1975

A Fragments of a band system. A-+(X), 22144 H (1)
(X) 0 c14o) I I I
<5s>Ni<14>Ge APR 1975

css)Ni 1H (µ = 0.99059317) APR 1975

Diffuse R shaded head in absorption at 34073 cm- 1 • (6)*
[6.31 1 ]bc . [7.6] I c2 +- x 2 , R 23100.soddz
[l. 642 ] {4)(5)
e c 2 '"" xl' R 2408i.2 3 z
I [6.156]bf I [6.1] [1.662 ] c1 ~x 1 , R 23760.7d z
7
(2)* (4)(5)
R shaded absorption bands with heads at 19681 and 19890 cm-1. Perturbations. (6)*
16193 1570.9 Z 34.55g h B~X 1 , R 15977.Jd Z (l)* (2)(3)
{6)
[6.283]i [4.75] [1.645 8 ] A+-+Xl' R 15520.ld Z (l)* (2)(3)
( 6)
( 980) j [7.78l]b [5.9] [1.4789]
0 [1926.6] z (38)k [7.7oo]b [4.81].e, 1.4756

(µ = 1.94643507) Di 6 J.10 eva APR 1975

Diffuse R shaded head in absorption at 34073 cm- 1 • (6)*
[728.9 7Jm z I
[J.271] mn I
[1.62]m I
[1.627 2 ]
d
c 2 ~ x 2 , R 23171.69 z (4)(5)
[918.30] z [J.240] 0.188n [1.52] 0
1.6117 C1+-X1, R 23830.47 d z (4)(5)
1
R shaded absorption bands with heads at 19707 and 19845 cm- • Perturbations. (6)*
16172 llJO.O Z 23.4 P B+- x1 , R 16021.sd z (6)*
(980) [3.996] [l.42] [1.4722]
0 [J.992] [l.JO]q 1.4645
NiF1 (1) Krishnamurty, IJP n_, 354 (1953). Ni 1H, Ni 2H (continued)1

NiGes aThermochemical value (mass-spectrom.)(l). i.1\.-type doubling increases rapidly above J=9~.
See (2).
(1) Kant, JCP 44, 2450 (1966).
jA 0 - 490.2 + •••
Ni 1H, Ni 2H1 kFrom isotope relations.
.eDl = 7.8x10-4. Heimer (2)(3) finds ~e = 0.248, D1 =
aFrom the predissociation in c •
1 5.1 x lo-4, but his interpretation of a perturbation
bFor 1\.-type doubling see (5).
in the 0-1 band of cl - xl is questioned by ( 5).
cLines with J' ~ 11~ are diffuse.
mit is not certain that the level assigned as v=l
d~hese band origins are corrected for J-independent
(B 1 = 3.410, D1 = 3.6 x lo-4 ) belongs to the same
terms not usually taken into account in these tables.
electronic state.
eAO = ~ 160.2 + •••
nLines of the 1-0 band with J' ~ 9~ are broad.
fLines with J' ~ 12~ are diffuse, both in absorption and 0
n1 = 2 • o x 1 o-4.
in thermal emission.
PAll observed levels perturbed. Extrapolation to J=O
gweye = - 2.87; from v=O, ••• , 3 only. See h.
gives B0 = 2.930, B1 = 2.710, B2 = 2.463.
hAll observed levels perturbed. Heimer (2)(3) obtained
qDl = 1.4 x 10-4.
the following Bv values by extrapolation to J=O: 0
v = O, Bv 5.113 (increasing with J), (1) Gaydon, Pearse, PRS A 148, 312 (1935).
1 5.350 J), (2) A. Heimer, Dissertation (Stockholm, 1937).
2 5.480 (3) Heimer, ZP 1.Q.2, 56 (1937).
J)'
3 5.900 (decreasing with increasing J). (4) Andersen, Lagerqvist, Neuhaus, Rslund, PPS 82,
A reanalysis of the red band systems of NiH is consi- 637 (1963).
dered necessary by (5). (5) Rslund, Neuhaus, Lagerqvist, Andersen, AF 28, 271
(1964).
(6) Smith, PRS A .JJ..g, 113 (197)).

465
 466
State Te w w x Be Observed Transitions References

1
e e e ere De re
(.R) Design. J voo

<ss)N i 121 I (µ = 39.7763520) 0

DO = 2.99 eVa APR 1975

css>Ni 160 (µ = 12.53439233) 0

D0 = 3.8 eVa APR 1975
7
Three additional systems in the same spectral region. ( 1) ( 2)
b a + (21262) (570) H I b-+ a, R (21135) H (1)(2)
a a (825) H
B (16447) (560) H B7X, R (16420) H (1) ( 2)
A (12725) (475) H A~X, R (12655) H (1)(2)
(X) 0 (615) H

css> Ni (32> S (µ = 20.6024487) 0

DO = 3°53 eVa APR 1975

css>N ic2s>5 i (µ = 18.8663722) 0

Do = 3.26 eV
a APR 1975

1'1-NloQ µ = 7.4664JJ2J 0
DO = 6.496 8 eVa I.P. = 9.26436 evb MAR 1977 A
For a detailed discussion of the electronic spectrum with particular emphasis on RydbergNRydberg and RydbergNnon-Rydberg inter-
actions see (192a)s this review contains references to spectra of four isotopes as well as a short summary of theoretical calcu-
lations.
(2E-, 26, 2E+) Broad un,~esolved peak in the oxygen K shell electron energy loss spectrum at 532.7 eV.c (182a)
Rydberg states converging to the nitrogen K edge at 410.2 (Jn) and 411.7 ( 1 n) eV, observed
(178)(182a)
in X-ray absorption and electron energy loss spectra at 406.3, 407.3, 408.6 eV,
Two very weak bands in the X-ray absorption spectrum at 402.3 and 403.9 eV.d (178)
Strong unresolved peak in X-ray absorption and electron energy loss spectra at 399.8 eV.e (178)(182a)
fliI I aThermochemical value (flame photometry)(l).
(1) Bulewicz, Phillips, Sugden, TFS 51.., 921 (1961).
NiO I aThermochemical value (mass-spectrom.)(5), recalc. (6).
See also (J)(4).
(1) Rosen, Nature .1..2£, 570 (1945).
(2) Malet, Rosen, BSRSL 14, J82 (1945).
(J) Brewer, iVlastick, JCP 12,, 8J4 (1951).
(4) Huldt, Lagerqvist, ZN 2 a, J58 (1954).
(5) Grimley, ourns, Inghram, JCP J.5., 551 (1961).
{6) Smoes, Mandy, Vander Auwera-Mahieu, Drowart, BSCB 81,
45 ( 1972).
NiS I aThermochemical value (mass-spectrom.)(l).
(1) Drowart, Pattoret, Smoes, PBCS No. 8, 67 (1967).
NiSi: aTherrnochemical value (mass-spectrom.)(l).
(1) Vander Auwera-Mahieu, Mcintyre, Drowart, CPL !±.,
198 (1969).
NO 1 aFrom the breaking-off below N•=4 in the C~ A 0-0 band
emitted during radiative recombination of N and O atoms
via inverse predissociation (187), see also (169); in good
agreement with (12J). A very slightly higher value, i.e.
6.4977 ~ ng~ 6.5007 eV, is suggested (179) by the failure
to detect F-+ C laser t:ransi tions ending on the lowest C
level observed in the N + O recombination spectrum.
bExtrapolation of selected rotational lines in the nf~X
Rydberg series (180)(204), based on the fine structure
analysis of the 4f and 5f complexes (119).
cExcitation of a ls 0 electron to the 2~ orbital.
dTentatively interpreted as arising from two-electron ex-
citation from the lsN and l~ to the 2~ orbital (178).
Only one peak (404.7 eV) is observed in the electron
energy loss spectrum (182a).
eExcitation of a lsN electron to the 2~ orbital.
467
 468
State w we xe Observed Transitions References
l
e
Design. v 00

(continued)
Narayana and Price's absorption Rydberg series converging to c Jn of No+,

••• 4o 5o 2 l'iT4 21T {ndA
npA
••• 56 l 'iT4 21T·npA.
••• 11r3 2'ir ns6" { (126)
v = ·175220 -{R/(n+ o.o 5 )~, n = 3 ·•• 7 • All bands diffuse.a (157)* (181)
R/(n- 0.70) , n = J ••• 6.
Fragments of an additional series (181). Absorption cross sections 700 - 180 R (14JOOO -
556000 cm- 1 ) (164)(168).
I
Tanaka's absorption Rydberg series converging to A 1 n(v=O) and b 3n(v=O) of N0+1
v ~ { 7 5 - R/(n- ·7 )~;
0 8
14 80
r ser~es, n = 3 ••• 11 ·~ Also fragments of weak series with V'=l. I (5)(51)*
(126)
lJJ.570 - R/(n- 0.70) ; (6 series, n = 3 ••• 15.
Rydberg series converging to aJE+, w36, b'JE-, A11 E-,. w1 6 of NO+. Only the first two or
three members of each absorption series have been identified; long upper state progressions.
1
Tables of absorption features 9.50 - 650 R (105000 - 1.54000 cm- ) (.5)(51)* (97)*. Absorption
coefficients, photoionization and photodissociation yields (8.5)(97)(10J)(l46)(176).

The band structure of the absorption spectrum from 80000 to 105000 cm- 1 has not yet been
analyzed. Absorption coefficients, photoionization efficiency curves (58)(85)(103)1 the data
of (lOJ) are conveniently plotted in Figure 6 of (165) and Figure 4 of (15J). Autoionization
processes have been studied by photoelectron spectroscopy (137)(165)(199); partial cross-
sections for the formation of vibrationally excited NO+ (1.53).

Atlas of the absorption spectrum 1420 - 1250 R (70400 - 80000 cm- 1 ) (192); for a photo-
graphic reproduction of the spectrum at longer wavelengths (1920 - 1400 i) see (42). A use-
ful quantitative low-resolution plot of the absorption from 2JOO to 1100 R may be found in
Figure 2.1 of (192a), adapted from (lJ). Absorption coefficients, photoionization efficiency
curves (17)(103)(166) and (19.5) whose supersonic molecular beam technique made it possible
to resolve the autoionization structure superimposed on the first four vibrational steps
due to direct ionization.
 State Te w w x Be &re De re Observed Transitions References
e e e
(10- cm- 1 ) (.i) Design.
l voo
t'f-NIE>Q (continued)
Rydberg series converging to v=0 ••• 4 of X 1 E+ of NO+ and fragments of series with v'=5s
nf series n = 4 ••• 15. Sharp rotational structure. nf~ X (192)*(204)*
Joining on to F 2 A(n=J), N2 A(n=4), u2 6{n=5), and incompletely (192)*(192a)
nd8 series { ndS +- x

l
observed to n=8. Perturbations by stable and unstable states. (204)*
Joining on to c 2n,D 2E+{n=J), K2n,M 2E+(n=4), Q2n,R 2E+(n=5), and
w2n,Y 2E+(n=6); bands of varying diffuseness have been observed to (192)*(192a)
np'lr,6' series npir,o ~ x
n=ll. The influence of the unstable A' 2 E+ state is briefly dis- {204)*
cussed in (204).
Joining on to A 2E+(n=J), E 2E+(n=4), S2E+(n=5),.T 2E+(n=6), z2 E+(n=7).
The Be values decrease from 1.997 (n=J) to 1.713 for the highest (192)*(192a)
ns6' series { nso~X
(204)*
observed state (n=ll) as a consequence of ns6"N (n-1 )de' interactipns,
see f on p. 471 • Sharp rotational structure.
Several unassigned non-Rydberg levels, mixed with Rydberg levels,
( 74)(192 ).*
near the dissociation limit 2n + Jp at 71627 cm- 1 •
7154.3
6f 71427

6do (71J42)
2J76

(2J97)
H

H
16.2

(2J) [l.86]
I
V=l,2,J diffuse.
6H-X,

6dS ~ X, v
71662.6
71467c
H (91)(192)*
(91)(192)*
71586 z (204)
z 2E+ ?s6 71224 2377 H 16.4 [l.9J8] z~x. v 71.340c (91)(192)*
I 71460 z

NOs aPhotoionization yields (No+, N+, O+) in the region of
these Rydberg series (175).
bThe Rydberg formulae do not accurately reproduce the
observed bands owing to the slow variation of the
quantum defect with n.
cThese band origins refer to N'=O (non-existent for At 0)
in the excited state and to the hypothetical level J"=O of
the X 2ni ground state, in accordance with definitions .
adopted in these tables. The corresponding numbers for the
X n~ component are obtained by subtracting 119.7 cm- 1 •
2
2

469
 470
State Te w w x
e e B ae De re Observed Transitions References
e e
(10- cm-1 ) (i) Design. I voo
1q.N'6Q (continued)
(74)(91)
y 2E+ 6p6 70614 2370 15. 0 [2.11] v=l,2,3 diffuse
I Y-E- X, v 70728a
70847 z (192)*
w 2Il 6p'!f 70512 2375 v=O perturbed by non-Rydberg level; 70627 (74)(91)
15.6 v=l,2,J very diffuse. W':- X,
70747 (192)*
5f 70079 2377 H 16.5 [1. 988]b I I 5f~X,
70195
70315°
(91)(119)
(192)*
{Partial rot, analyses for ..,0,1 ( ~ o).
1 18
(70090) (91)(192)*
u 2b. 5d8 (69977) 2371 16.4 Perturbations by non-Rydberg levels. U+-X,
v=2,3,4 diffuse to varying degrees. (70210) (204)

T 2 E+ 6s5 (69728) 2372 15.7 v=O coincides with I(v=6) and E(v=4), T+-X, v (69841) (91)(192)*
strong perturbation. B1 = 1.92. (69961)
R 2r:+ 5p6 (68598) [2.04]d v=l,2 diffuse R-E- X, 68710.9
v 68830. 7a Z (74)(192)*

Q 2n 5p1r v=O,l mixed with non-Rydberg levels, v:::2,3,4 diffuse. Q~ x, 68526 (74)(192)*
68646
o· 211 'l'T' (67762)e [2.022l 0,0'4D, 14702.2 (64)(121)*
4d (2371) (16) 14697.9
0
2E+ 6' (67757) [l.990]f 1562)
O,O'-?C,
15619 (64)(121)*
67874.8
O,O'+-X, 67870.5 (91)(121)*
67994.5! z
67990.3 z
4f 67596 2381 H 18.5 [1.988]b [1.0657] 4f<(- X, 67713 0 (91) (119)*
67833
N 26 4d8 67374 2375g 15g l.969g o.026g N-?C,h 15238g (64)(135)*
N~X, v 67489 (74)(76)*
67609g (88)*
s 2 L:+ 5s6
66900 2378 z 16.5 l.980 0.020 Sf- X, v 67016 (52)(74)(90)
67136a z
 State Te we wexe Be ae De re Observed Transitions References
(10- cm-1 )

;
(i) Design.
l voo
llf.NIGQ (continued)
2E+ 4p6 644J7 z 2.022i 0.018 64540a
v 64660 (J6)(52)(74)
M 2J52 19.5 M+-X,
z (90)* (192)*
K 2n 4p1T V=O ••• J observed. [l.895]jk K~X, 64167al.
v 64287 (52)(74)
z (90)*
!Five levels Cv=*•••B?) have been .observed for various isotopes in
2I:+ the region 67800 - 72000 cm-1 • Erratic behaviour with regard to
I (63500) I+- X, R (74 )( 204)
diffuseness and isotope shifts on account of interactions with the
unstable A' 2E+ state and with np~ Rydberg states. See also (160).

N01 8see.conp.469.
bB value of the NO+ core. For details of the analysis and
derived core parameters (polarizability, quadrupole
moment) see (119).
cEnergy of the fl {or :I..= 2) component re la ti ve to the hypo-
thetical level J"=O, calculated using results from the
analysis of the 14N18 o spectrum1 see (119).
dThe interaction between R2E+(v=O), r 2t+(v=5?), and the
continuous A' 2E+ state has been observed in the spectra
of four isotopes; see Figure 2.5 of (l92a).
eA slight mixing of the ground state into the nd~ com-
ponents is responsible for the larger than expected spin-
orbi t coupling in H' (A = +0.96, J = +0.92) and o• (A =
+0.36, ~ = +O.J4)s see (129), also (57)(121)(143).
fstrong 1.•uncoupling, ~(v=O) = l.92 and 1.88 for 3d and 4d,
resp. (143). The magnitude of ~was interpreted in terms
of SN d mixing (129) 1 the interaction matrix elements are
910 (4s6 rvJd6') and 430 cm-1 (5s6"1V4d6'). The non-negligible
spin-orbit coupling in ndrr (see 8 } gives rise to small per-
turbations between e leyels of the 2rr F1 and F2 components
(56}(57)(121)(143). Additional perturbations in H,H' by
Rydberg and non-Rydberg levels (14J). For H,H'(v=J) only n-
has been observed. The rr+ and E+ components of o,o•(v=O)
are weakly predissociated for all N, n- above N=l6 (121).
gApproximate deperturbed constants, see Pon p. 473; V=3 at
74580 cm- 1 is very diffuse (204).
hThe N-+ C 0-0 band is strongly mixed with B• --+ C 7-0;
see q on p. 473.
1Heterogeneous perturbations by levels of B 2n (112). Levels
having v ~ l are diffuse to varying degrees.
jA small perturbation by L 2n(v=2?) affects the first few
rotational levels in v=O; higher vibrational levels (v =
1,2,3) are strongly mixed with non-Rydberg states (B 2n and
L 2 n).
kA-type doubling, Avfe(F 1 ) = +0.034N(N+l).
1.Deperturbed.

471
 472
State Te w
e w x
e e Be «e De re Observed Transitions References
(lo-6cm-1 ) (.i) Design. l voo

'""N' 6 0 (continued)
G 2r;- 62913.0 1085.54 z 11.os3a I
l.2523b 0.0204 l I
l.J427 G+- X, c R 62J84.7d
62504.4 z
(69)* '(192)*
(204)
L 2n (62500) 0 Fragments of several levels (vibr. numbering not established) in Lt- X (74)(90)*
i perturbations with levels of B, c, K. Constants comparable to B~n.
H' 2n 'IT 62485.4f 2J7l.J z 16.17 2.015g 0.021 H,H'-+D,h 9426.0 (55)(64)*
l.0585 9414.2
2r;+ Jd
H 6 624?J.4 [2339.4] z 2.00Jg 0.018 1.0617 H,H'-+C,h lOJ48 (55)(64)
(121)*
10JJ6
18518.2
H,H'-+A,h 18506.4 (5.5)(64)*
62598.6
H,H '+- X, i 62586.8d z (56)(91)
62718.4d (14J)*
62706.6 z
F 2A Jd~ 61800 2J94j 20j l.982j o.023j l.067 F-+C,kh 967oj (64 )(1J5)*
F~X,i V 61924j (.52)(74)
62044 (76)* (88)*
2r:+ 4str 60628.8 2375.3 z 1.9863.t 0.0182 5.6 E-+D, hm (9)(45)
E 16.43 7571.5
E-+A, h
11
6000 1 b. 16663.63 z (9)* (143)*
11

E+- X, n v 60744.ld (11)( 26)

60863.8 z (42)* (74)
B' 26.1 60364.2° 1217.4P 15.61P l.JJ2p o.021P 1.302 B'-+C,q (64)(1J.5)*
B'r-+B,n .v 14508.6 (12) ( 14) ( Jl)
14538.7 (64)
I
B'r~x,sn R 59900.7d (10)(12)(15)
(16)(26)(22) *
60020.4 z (74)(76)*(88)
~· bands
*
D 2r;+ Jp6" 5J084.7 z Dv-+A,h ( 9 )( 64)
2323.90 22.aa5t 2.0026u 0.02175 [.5.8] 1.0618 "11000 1 b. 9092.17 z (ll2)*(l4J)*
11

(l)* (6)* (7)

Dv~x,nw v 53172.7d (12)(16)(24)
I €. bands 5.3292.4 z (37) (42)*
(90)(112)*
(144)
NOs aw y = - 0.1439. The levels v=lO, 11, 12 are diffuse and
l!e e above the limit 2n + Jp; v=lJ not observed. See also
bsmall perturbations in isotope spectra. I (160).
cAbsorption in rare gas matrices (10lt(l97) ,. in high
pressure argon (190).
dsee c on p. 469 •
eA ~ - 80.
fsee e on p. 471 •
gsee f on p. 471 •
hFor experimental and theoretical f values see (122)(140)
and (1J8), respectively.
iAlso observed by non-resonant multiphoton ionization
spectroscopy (189).
jApproximate deperturbed constants; see P.
kLines of the perturbed F-+ C 1-1 band are prominent in the
NO laser spectrum (179)1 see p,q~
!v=J,4 somewhat diffuse, v=5 sharp. Emission observed from
v 6 2 r ( 64) reports an abrupt breaking-off in the E-+ A 2-2
band for an upper state energy of 68100 cm- 1 •
mE-+ C not observed, in agreement with theoretical predic-
tions (1J8) regarding the dipole transition strengths of
E -+ C and E -+ D.
nFor references to Franck-Condon factor calculations see
the review by (99).
0
A0 = -2.2, A1 = -2.4, ••• , A = -4.9 (88).
9
Pneperturbed constants; B12 6 interacts strongly with F 2 6
(matrix element He~ 450 cm-1 ) and N2 6 (He~ 400) (84)(88);
see also s. Perturbations by B2rr are unobservably small
because of unfavourable Franck-Condon factors (19lb).
qFragments of two bands, 4-1 at 9800 cm- 1 and 7-0 at 15)00
cm-1 , both appearing on account of configuration interac-
tion,in the upper state with F 26 and N26, respectively,
in the lower state with B2 n. Lines of the 4-1 band, to-
gether with F-+ C 1-1, are seen in the NO laser spectrum
(65)(89)(162)(179).
rLifetime T(v=l) = 75 ns (174).
8
An experimentally deperturbed spectrum of B'-X is observed
in matrix absorption (101)(116)(197). A gradual depertur-
bation in the gas phase is induced by increasingly high
foreign gas pressures (190).
tweye = + 0.75, weze = - 0.22, from v~4 (J6), not including
v=5 and 6 (90). The vibrational constants clearly differ
from those of other Rydberg 2 E states or of the NO+ ground
state. It has been suggested [see e.g. (14J), also (160)]
that there is an avoided crossing of the potential curves
of n2 E+ and A' 2 E+ (unstable, arising from 4 s + Jp) •
uFrom (J6). Heterogeneous perturbations by B2rr; for details
see (112). According to (64) the rotat'ional structure of
D~A 1-1, 2-2, J-.3 breaks off abruptly at D state energies
of .59270 cm-1 in v=l,2 and 60100 cm- 1 in V=J.
vLifetimes T(v=O) = 18. 4 ns (106), 19. 0 ns (18J), 2.5. ns
7
(174)r T(v=l) = 26. 4 ns (174).
wf 00 = 0.0025, r 10 = 0.0046, f 20 = O.OOJJ; from integrated
absorption intensities (4J). See also (62)(124).
473
 474
State T w w x B a-e De re Observed Transitions References
e e e e
e
(lo- 6cm- 1 ) (i) Design. l voo

'""N'60 (continued) .
c 2n 52126a 2395b 15b 2.ooobc o.03ob 1.062 Cc4-A, d 8172 (45)(117)*
r 3P'IT (187)*
(l)* (3)(4)*
cc~X, ef v 52251 (6) (30) (42) *
8 bands 52371 (90)(117)*
(144)
10395
10375
b (41:-) (48680) 1206g H 15 b-+ a, v lOJ50 g H (18)*(19)*
10323
10300
10272
(1)*(2)*(6~ *
2n
45942.6h 1039.8i z 8.J2j l.152i 0.012 BmHX,nf R 45392.1° z (3)(15)(18 *
B
r 4591).6 10)7.2 1 z 7.70
k 1. 092i.t 0.012
4.9 1.4167
IJ3 bands 45481. 7° z ( 24) (Jl) (37)
(42)* (73)*
(52)(90)(127
(l)* (J)(8)
A 2i:+ Js6"

a (4Ili)
43965.7

(.38440)
2374.31

1017
z
H
16.106P

11
l.9965qrs o.01915q 5.4 1.0634
I
AtHX,uvf
f bands
(a~X)x
v 44080.5
44200.2W
(J8000)
z ( 24) ( .37) ( 46)
(127)
(48)(66)
M bands

NOa aA 0 = + J.O cm- 1 (104). dsee h on p. 47.3.

bApproximate deperturbed constants; strong interaction
with B2n, see i. A-type doubling, ~vfe(F 1 ) = +O.Ol6N(N+l).
cWeak predissociation in v=O above N=3 or 4 [see (179)(187)
and a on p. 467 ]. The predissociation is assumed to occur
via the continuum of the a 4 n state and causes a reduction
of the measured lifetimes in v~o from 20 ns for N~4 to
J ns for N~4 (l8J}1 T(v=l) ~ 0.3 ns. No emission has been
observed from levels having v~ 1.
ef 00 0.0023 (43)(177), higher value in (124)1 f 10 = 0.0058,
f 20 = 0.0027 (4J). See also (62).
fsee n on p. 47.3. RKR Franck-Condon factors for the ft bands
(111)(128), for the r
bands (111)(134).
gA different vibrational numbering was suggested by (75).
hAv = + 31.32 + l.152(v+!) + o.o448(v+t) 2 • The expression
represents the data of (127) for the first seven levels.
Av increases to +77 for V=251 see (90).
NO (continued)&
iEffective constants for v f: 5 (7J). The re-evaluation of
the constants by (127), based on new measurements of the
f3 bands and using a modified Hill - Van Vleck expression,
gave G(v) = 10J7.45(v+i) - 7.472(v+i) 2 + 0.0725 (v+t)3,
3
Bv 1.1250 - O.OlJ48(v+~) + o.00012 (v+i) 2 •
5
The highest level observed in emission is v'=7 [mixed
with C{v=O)] (49)(117); vibrational levels as high as
v'=29 have been identified in the absorption spectrum
(74). They are strongly perturbed by interaction with
the Rydberg states c 2n (matrix element He~ 1200 cm- 1 )
and K 2n (He~ 800); see (42) (84). A complete depertur-
bation, taking also into account the interaction with
L 2n, was attempted by (1J6); more recent results by Gal-
lusser and Dressler (we = 1025.0, wexe = 4.52, weye =
-0.0846) are quoted by (185) who observed the deperturbed
spectrum of B2n in matrix absorption (101)(116). A
similar deperturbation is induced by high pressure
foreign gases (190). Heterogeneous interactions with
levels of D2 E+ and M2 E+ are discussed by (112).
jw y + 0.17.
k e e
weye + 0.10.
tA-type doubling, 6vfe(v=O) = -o.oo64(J+!) (64).
mRadiative lifetimes T(v=0,1,4) = 1.9 , 1~7 8 , 1.6 µs,
9 5
resp. (174). (68) give somewhat longer lifetimes.
nf 00 = 2.5x lo- 8 (141) r fv'O values increase to 4.6x 10-5
for v'=6 (4J)(l41)(150). Above v'=7 the intensities are
governed by the strong interactions with the 3p and 4p
Rydberg statesi see i. See also (59)(62)(70)(105).
0
Ref erring to the hypothetical J=O levels in both upper and
lower state.
Pweye = - 0.0465 (127).
qRotational constants re-evaluated from data in (J6) and
(127)1 the equilibrium constants of the latter appear un-
reliable.
rSpin splitting constant (v=J) = - 0.0027650, µet(v=3) :
0
1.10 D. These constants, as well as eqQ and magnetic hf
constants, have been recalculated by (194) from the optical-
rf double resonance experiment of (172)1 see also (152)
(191). Hanle effect (1J9)(15la)(l59).
sAccording to (8)(41) the intensity of the emission bands
drops sharply at N' = 74, 64, 52, 38 in v• = O, 1, 2, 3,
respectivelyi bands with v•~ 4 have not been observed in
emission.
tRadiative lifetimes T(v=O) = 215 ns, T(v=l) = 20J ns,
T(v=2) = 174 ns (206); good agreement with (174) except for
v=2 where these authors find T=l95 ns• See also (87)(159)
( 18J).
ufoo = 0.00038, f10 = 0.00081, f20 = 0.00069, f JO = O.OOOJ01
weighted average values from (J8)(43)(1J2)(150)(151). Vari-
ation of transition moment with r (70)(83)(87)(9J)(l05)
(111)(149)1 see also (144).
vAlso observed in two-photon excitation (173)(186)(206) and
magnetic rotation spectra (100). l5N 16 o band head measure-
ments (125).
wSee c on p. 469 •
xAssignment uncertain, only observed in rare gas matrices.
Predicted lifetime O.l s (115). See also (170).
475
 476
State Te w
e wexe Be <Xe De re Observed Transitions References
(10-6cm-1 ) (j) Design. J v 00

11tN'60 {continued)
119.82a 1904.040 z 14.lOOb
[10.2 ]c [1.72016]c 0.0182
x 2Il r 3 1.15077
0 1904.204 z 14.075b
[0.54]c [1. 67195Jcd 0.0171
~~~~~~~~~__._,~~~~~~~~~~.__~~~~~~~~~~--~~~........~~~~-.Rotation-vibration sp.1
4~2 ( 6 .3)
Noa 2
aAv = + 123.26 - o.1906(v+!} - O.Ol08(v+!) ; from the analysis off> and t bands 4~0 ( ??)( 78)
having v"6 16 {127). Much more precise constants for V=O and l (Aeff = 12J.l.39J 3-n ( 63)
and 122.8935, respectively) and their J dependence have been determined from J+- o,gh (2J) (54) (71)
(72)(77)
measurements on the vibration-rotation fundamental and on the pure rotation
2f- 1 (208)
spectrum (205)(209). See also (148)(156).
2 2 2~ o,ghi (2J){6J)(72)
bweye = + 0.011 0 ( n ) and+ 0.007 ( n ); these are effective vibrational (77)
312 7 112
constants obtained from rotation-vibration spectra (67)(77). (205)(209) have (32) ( J4) ( 61)
lH O,ghijk.tmn
accurately evaluated ~G(!) = 1875.972; see a. (127), see a, give the following (67) (llJ)
(205)(209)
expression, valid for v616a G(v) = 1904.4o {v+i} - 14.187 0 (v+i) 2 + o.024o 0 (v+!}3 (29) (JJ) (44)
4 5 Rotation sp. 0
- 0.00093{v+i) • The vibrational levels have been observed to v= 2J {18). {86)(148)
cEffective rotational constants from rotation (29)(44)(86) and rotation-vibration Raman sp.P (120)(1JJ)
spectra {19la)(205). Precise Band D values for v=O and 1 have been calculated (82)(145)
EPR sp.
by (209), see a, B0 = 1.69611 , B1 =1.678544 1 D0 = 5.34 x10- 6 , D1 = 5.J x10- 6 ; (193)
5 7 (131)(154)
good agreement with (205). (127), see a, give the following expression for v~l61 Hyperfine A-doubl. sp. q (200)
Bv = 1.70427 - 0.01728(v+i) - O.OOOOJ7(v+~) 2 •
dA-type doubling, Avfe ~ (+)O.Oll7(J+i}. PreciseA-doubling constants have been
evaluated by (154)(200)(205)(209), the variation of p and q with v agrees with
the measurements of (208).
eObserved in the electronic-rotational Raman spectrum (4a) gMagnetic rotation (50)(81)(107)(114)(161).
{118)(130), and as magnetic dipole transition in the far hintegrated band intensities, dipole moment function (92)
IR (148). Laser Zeeman spectrum (156). {142)(16J){l67); (184)(198).
fsee 0 on p. 475 • i2-o b. of 1 5N18o (96), 1-0 b. of l5N 16 • 18o (J9){96)(11J).
NO (continued)1
jA-doubling, nuclear hfs, and Zeeman splittings (147)(158).
2n laser magnetic resonance s~ectra (17l)(l9la).
312
kLaser Stark spectrum (188)r µ L( n1 ,v=O) = 0.157 4 D (see
2 e ~ 2
also q), µeL( n ,v=l) = 0.1416 D. For Ill the difference
1
µet (v=l) - µet (v=O) = - 0.01735 D was det~rmined.
LFrom pressure-broadened linewidths (196) derive a value of
2.4x lo- 26 esu cm 2 for the quadrupole moment of NO. Earlier
results are reviewed in this paper.
mAbsorption of CO ·laser radiation by NO (202) (20J) (207).
n~v=l sequence in emission (201). Several laser lines have
been observed in the P branches of the 6-5, ••• , 11-10
bands ( 8Ja).
0
zeeman effect (21), Stark effect (40), both in 2n112 •
Psee also references in e.
<\te.t = 0.15872 D from Stark effect in 2ni,v=O,J=i (lJl) r eqQ
and other hf coupling constants (154)(200). See also (152)
(191).

(1) Leifson, ApJ .£.:2, 73 (1926). (19) Ogawa, SL j, J9 (1954).

(2) Jenkins, Barton, Mulliken, PR JQ, 150 (1927). (20) Tanaka, JCP 22, 2045 (1954).
(3) Schmid, ZP ~' 428 (1928); 64, 84 (1930). (21) Mizushima, Cox, Gordy, PR ,2l!, 10)4 (1955).
(4) Schmid, ZP 64, 279 (1930). (22) Miescher, CJP JJ., J55 (1955); HPA £2_, 401 (1956).
(4a)Rasetti, ZP 66, 646 (1930). (2J) Nichols, Hause, Noble, JCP £], 57 (1955).
(5) Tanaka, Sci. Pap. IPCR (Tokyo) J.2., 456 (1942). (24) Ogawa, SL j, 90 (1955).
(6) Gaydon, PPS ..2£, 95, 160 (1944). (25) Sun, Weissler, JCP £], 1J72 (1955).
(7) Gero, Schmid, von Szily, Physica 11, 144 (1944). (26) Ueda, SL j, 143 (1955).
(8) Gero, Schmid, PPS 60, 533 (1948). (27) Walker, Weissler, JCP _g]_, 1962 (1955).
(9) Feast, CJR A 28, 488 (1950). (28) Granier, Astoin, CR 242, 1431 (1956).
(10) Baer, Miescher, HPA 24, 331 (1951). (29) Gallagher, Johnson, PR .!.Q], 1727 (1956).
(11) Tanaka, Seya, Mori, JCP 12,, 979 (1951). (JO) Herzberg, Lagerqvist, Miescher, CJP ~' 622 (1956).
(12) Baer, Miescher, Nature !.Q.2, 581 (1952)1 HPA 26, 91 (Jl) Ogawa, Shimauchi, SL j, 147 (1956).
(195J). (32) Shaw, JCP 24, J99 (1956).
(lJ) Marmo, JOSA .iJ., 1186 (195J). (J3) Palik, Rao, JCP £.2., 1174 (1956).
(14) Ogawa, SL~' 87 (1953). (J4) Thompson, Green, SA~. 129 (1956).
(15) Sutcliffe, Walsh, PPS A 66, 209 (195J). (J5) Astoin, JRCNRS No. J8, 1 (1957).
(16) Tanaka, JCP 21, 788 (195J). (36) Barrow, Miescher, PPS A 1Q, 219 (1957).
(17) Watanabe, Marmo, Inn, PR .2,!, 1155 (195J); (37) Deezsi, M~trai, APH 1, 111 (1957).
Watanabe, JCP 22, 1564 (1954). (J8) Weber, Penner, JCP 26, 860 (1957).
(18) Brook, Kaplan, PR .2.Q., 1540 (1954). (39) Fletcher, Begun, JCP gz, 579 (1957.).

477
 478
NOs (40) Burrus, Graybeal, PR 1.Q2, 1553 (1958). (70) Marr, PPS §..], 293 (1964).
(41) De~zsi, APH 2t 125 (1958). (71) Meyer, Haeusler, van Thanh, Barchewitz, JP(Paris) _gj_,
(42) Lagerqvist, Miescher, HPA J!, 221 (1958). 337 (1964).
(43) Bethke, JCP J!, 662 (1959). (72) Olman, McNelis, Hause, JMS 14, 62 (1964)J 21, 111
(44) Favero, Mirri, Gordy, PR 114, 1534 (1959). (1966) (erratum).
(45) Heath, Los Alamos Report LA-2335 (1959). (73) Callear, Smith, TFS 61, 1303 (1965).
(46) Koczkas, APH 10, 117 (1959). (74) Dressler, Miescher, ApJ 141, 1266 (1965).
(47) Maryott, Kryder, JCP J!, 617 (1959). (75) Gilmore, JQSRT j, 369 (1965).
(48) Broida, Peyron, JCP J,g, 1068 (1960). (76) Jungen, Miescher, ApJ 142, 1660 (1965).
(49) De6zsi, APH 11, 155 (1960). (77) Meyer, Haeusler, Barchewitz, JP(Paris) 26, 799 (1965).
(50) Mann, Hause, JCP ]1, 1117 (1960). (78) Meyer, Haeusler, CR 260, 4182 (1965).
(51) Huber, HPA J!±, 929 (1961). (79) Abels, Shaw, JMS 20, 11 (1966).
(52) Lagerqvist, Miescher, CJP 40, 352 (1962). (80) Alaroichel, JP(Paris) £1., 345 (1966).
(53) Miescher, JQSRT £, 421 (1962). (81) Aubel, Hause, JCP 44, 2659 (1966).
(54) Areas, Haeusler, Joffrin, Meyer, van Thanh, (82) Brown, Radford, PR 1.±Z, 6 (1966).
Barchewitz, AO£, 909 (1963). (83) Callear, Pilling, Smith, TFS 62, 2997 (1966).
(55) Huber, Huber, Miescher, PL J, 315 (1963). (83a)Deutsch, APL 2, 295 (1966).
(56) Huber, Miescher, HPA ]£, 257 (1963). (84) Felenbok, Lefebvre-Brion, CJP 44, 1677 (1966).
(57) Kov~cs, HPA J.2, 699 (1963). (85) Reese, Rosenstock, JCP 44, 2007 (1966).
(58) Nicholson, JCP J.2., 954 (1963). (86) Hall, Dowling, JCP .±.,2, 1899 (1966).
(59) Antropov, Dronov, Sobolev, OS(Engl. Transl.) 12, (87) Jeunehomme, JCP .±.,2, 4433 (1966).
355 (1964). (88) Jungen, CJP 44, 3197 (1966).
(60) Callear, Smith, DFS ..rz., 96 (1964). (89) Jungen, Miescher, Suter, PL 21, 36 (1966).
(61) James, JCP 40, 762 (1964). (90) Lagerqvist, Miescher, CJP 44, 1525 (1966).
(62) Ory, JCP 40, 562 (1964). (91) Miescher, JMS 20, 130 (1966).
(63) Horn, Dickey, JCP 41, 1614 (1964). (92) Schurin, Ellis, JCP _±.2, 2528 (1966).
(64) Huber, HPA J.Z, 329 (1964). (93) Antropov, Kolesnikov, Ostrovskaya, Sobolev, OS (Engl.
(65) Huber, PL 12, 102 (1964). Transl.) 22, 109 (1967).
(66) Frosch, Robinson, JCP 41, 367 (1964). (94) Crosley, Zare, PRL 18, 942 (196?). [Erroneous, s.(139)]
(67) James, Thibault, JCP 41, 2806 (1964). (95) Feinberg, Camal, JQSRT z, 581 (1967).
(68) Jeunehomme, Duncan, JCP 41, 1692 (1964). (96) Griggs, Rao, Jones, Potter, JMS 22, J83 (1967).
(69) Lofthus, Miescher, CJP 42, 848 (1964). (97) Metzger, Cook, Ogawa, CJP _±.2, 203 (1967).
N01 (98) Oppenheim, Yair Aviv, Goldman, AO£, 1305 (1967). (127) Engleman, Rouse, Peek, Baiamonte, Los Alamos Sci. Lab.
(99) Ortenberg, Antropov, SPU 2, 717 (1967). Report LA-4J64 (1970); Engleman, Rouse, JMS J.Z, 240
(100) Robinson, JCP 46, 4525 (1967); ..5.Q, 5018 (1969). (128) Generosa, Harris, JCP ..2J, Jl47 (1970). I (1971).
(101) Roncin, Damany, Romand, JMS 22, 154 (1967). (129) Jungen, JCP j], 4168 (1970).
(102) Varanasi, Penner, JQSRT 1, 279 (1967). (lJO) Lepard, CJP 48, 1664 (1970).
(103) Watanabe, Matsunaga, Sakai, AO£, 391 (1967). (131) Neumann, ApJ 161, 779 (1970).
(104) Ackermann, Miescher, CPL~' 351 (1968). (132) Pery-Thorne, Banfield, JP'B J, 1011 (1970).
(105) Antropov, Proc. (Trudy) P. N. Lebedev Phys. Inst. (lJJ) Shotton, Jones, CJP ~' 632 (1970).
J..2., 1 (1966) [Engl. Transl. Consultants Bureau, (134) Spindler, Isaacson, Wentink, JQSRT 10, 621 (1970).
New York (1968)]. (135) Ackermann, CJP !±2, 76 (1971).
(106) Hesser, JCP 48, 2518 (1968). (1J6) Bartholdi, Leoni, Dressler, ZAMP 22, 797 (1971).
(107) Buckingham, Segal, JCP !±2, 1964 (1968). (1J7) Collin, Delwiche, Natalis, IJMSIP 1, 19 (1971).
(108) Callear, Pilling, Smith, TFS 64, 2296 (1968). (138) Gallusser, Dressler, ZAMP 22, 792 (1971).
(109) Chardon, Theobald, CR B 266, 602 (1968). (1J9) German, Zare, Crosley, JCP ,2t, 4039 (1971).
(110) Crosley, Zare, JCP !±2_, 4231 (1968). [Erroneous, s. (140) Groth, Kley, Schurath, JQSRT 11, 1475 (1971).
(111) Jain, Sahni, TFS 64, Jl69 ( 1968). j ( 1J9)] (141) Hasson, Nicholls, JP B 1, 1769 (1971).
(112) Jungen, Miescher, CJP 46, 987 (1968). (142) Michels, JQSRT 11, 1735 (1971).
(113) Keck, Hause, JMS 26, 16J (1968). (143) Miescher, CJP !±2_, 2350 (1971).
(114) Keck, Hause, JCP !±2_, J458 (1968). (144) Poland, Broida, JCP ..5.!±., 4515 (1971); JQSRT 11, 1863
(115) Lefebvre-Brion, Guerin, JCP !±2_, 1446 (1968). (145) Ashford, Jarke, Solomon, JCP .21., 3867 (1972). j (1971).
(116) Roncin, JMS 26, 105 (1968). (146) Bahr, Blake, Carver, Gardner, Kumar, JQSRT 12, 59 (1972).
(117) Ackermann, Miescher, JMS J.1, 400 (1969). (147) Blum, Nill, Calawa, Harman, CPL 1j, 144 (1972).
(118) Fast, Welsh, Lepard, CJP !±1., 2879 (1969). (148) Brown, Cole, Honey, MP~' 287 (1972).
(119) Jungen, Miescher, CJP !±1., 1769 (1969). (149) Bubert, JCP ..2..2., 1113 (1972).
(120) Renschler, Hunt, McCubbin, Polo, JMS Jg, J47 (1969). (150) Farmer, Hasson, Nicholls, JQSRT 12, 627, 635 (1972).
(121) Suter, CJP !±1., 881 (1969). (151) Hasson, Farmer, Nicholls, Anketell, JP B j, 1248
(122) Wray, JQSRT 2, 255 (1969). (15la)Gouedard, AP(Paris) 1, 159 (1972). j (1972).
(123) Callear, Pilling, TFS 66, 1618 (1970). (152) Green, CPL 1J., 552 (1972); ~' 115 (197J).
(124) Callear, Pilling, TFS 66, 1886 (1970). (153) Kleimenov, Chizhov, Vilesov, OS(Engl. Transl.) jg, 371
(125) Cisak, Danielak, Rytel, APP A 17.t 67 (1970). (154) Meerts, Dymanus, JMS 44, 320 (1972). I (1972).
(126) Edqvist, Lindholm, Selin, s jogren, ..Rsbrink, AF 40, (155) - s. (192a)
4J9 (1970). (156) Mizushima, Evenson, Wells, PR A j, 2276 (1972).

479

Noa (157) Narayana, Price, JP B j, 1784 (1972).
(158) Nill, Blum, Calawa, Harman, CPL 14, 234 (1972).
(159) Weinstock, Zare, Melton, JCP 2£., 3456 (1972).
(160) Ben-Aryeh, JQSRT 11, 1441 (1973).
(161) Blum, Nill, Strauss, JCP 2§., 4968 (1973).
(162) Broida, Miescher, JQE 2, 1029 (1973).
(163) Chandraiah, Cho, JMS !±1_, 134 (1973).
(164) Gardner, Lynch, Stewart, Watson, JP B ~' L262 (1973).
(165) Gardner, Samson, JESRP ~' 153 (1973).
(166) Killgoar, Leroi, Berkowitz, Chupka, JCP 2§., 803
(1973).
(167) Konkov, Vorontsov, OS(Engl. Transl.) J.1, 595 (1973).
(168) Lee, Carlson, Judge, Ogawa, JQSRT 11, 1023 (1973).
(169) Mandelman, Carrington, Young, JCP 2§., 84 (1973).
(170) Zarur, Chiu, JCP j2, 82 (1973).
(171) Zeiger, Blum, Nill, JCP j2, 3968 (1973).
(172) Bergeman, Zare, JCP 61, 4500 (1974).
(173) Bray, Hochstrasser, Wessel, CPL £Z, 167 (1974).
(174) Brzozowski, Elander, Erman, PS 2, 99 (1974).
(175) Hertz, Jochims, Schenk, Sroka, CPL~' 572 (1974).
(176) Hertz, Jochims, Sroka, PL A 46, 365 (1974).
(177) Mandelman, Carrington, JQSRT 14, 509 (l974).
(178) Morioka, Nakamura, Ishiguro, Sasanuma, JCP 61, 1426
(179) Miescher, JMS ..iJ., 302 ( 1974). I( 1974).
(180) Miescher, in "Vacuum Ultraviolet Radiation Physics",
p. 61 (ed. Koch, Haensel, Kunz). Pergamon-Vieweg,
Braunschweig (1974).
(181) Sasanuma, Morioka, Ishiguro, Nakamura, JCP 60, 327
(1974).
(182) Takezawa, paper MG12, 29th Symposium on Molecular
Structure and Spectroscopy, Columbus, Ohio (1974).
(182a)Wight, Brion, JESRP ~' 313 (1974).
(183) Benoist d'Azy, Lopez-Delgado, Tramer, CP 2, 327 (1975).
480
(184) Billingsley, JCP 62, 864; .2J., 2267 (1975).
(185) Boursey, Roncin, JMS ~' 31 (1975).
(186) Bray, Hochstrasser, Sung, CPL JJ, 1 (1975).
(187) Dingle, Freedman, Gelernt, Jones, Smith, CP §, 171
(188) Hoy, Johns, McKellar, CJP ..iJ.,, 2029 (1975). j (1975).
(189) Johnson, Berman, Zakheim, JCP 62, 2500 (1975).
(190) Miladi, Le Falher, Roncin, Damany, JMS ~' 81 (1975);
Miladi, Th~se (U. de Paris-Sud, Centre d'Orsay, 1976).
(191) Walch, Goddard, CPL JJ, 18 (1975).
(19la)Hakuta, Uehara, JMS 2§., 316 (1975).
(19lb)Field, Gottscho, Miescher, JMS 2§., 394 (1975).
(192) Miescher, Alberti, JPCRD j, 309 (1976).
(192a)Miescher, Huber, International Review of Science,
Physical Chemistry Series Two, Vol. J, Spectroscopy
(ed. Ramsay). Butterworths (1976).
(193) Jarke, Ashford, Solomon, JCP 64, 3097 (1976).
(194) Woods, Dixon, JCP 64, 5319 (1976).
(195) Ng, Mahan, Lee, JCP .2..,2, 1956 (1976).
(196) Tejwani, Golden, Yeung, JCP £2, 5110 (1976).
(197) Boursey, JMS 61, 11 (1976).
(198) Billingsley, JMS 61, 53 (1976).
(199) Caprace, Delwiche, Natalis, Collin, CP 11, 43 (1976).
(200) Meerts, CP 14, 421 (1976).
(201) Mantz, Shafer, Rao, AO 1.2, 599 (1976).
(202) Richton, AO 1.2, 1686 (1976).
(203) Hanson, Monat, Kruger, JQSRT 16, 705 (1976).
(204) Miescher, CJP ~' 2074 (1976).
(205) Valentin, Boissy, Cardinet, Henry, Chen, Rao, CR B ~'
233 (1976).
(206) Zacharias, Halpern, Welge, CPL~' 41 (1976).
( 207) Garside, Ballik, Elsherbiny, Shewchun, AO 16, 398 ( 1977).
(208) Guerra, Sanchez, Javan, PRL .J§., 482 (1977).
(209) Johns, Reid, Lepard, JMS _22, 155 (1977).
NO+, NO++ (continued from p.483 )1

(12) Stair, Gauvin, in "Aurora and Airglow", p.365 (ed. (27) Maier, Holland, JCP 2±., 2693 (1971).
McCormac). Reinhold, New York (1967). (28) Moddeman~ Carlson, Krause, Pullen, Bull, Schweitzer, JCP

(lJ) Hesser, JCP 48, 2518 (1968). (29) Davis, Shirley, JCP 2.Q, 669 (1972). I 2.2, 2317 (1971).
(14) Huber, CJP 46, 1691 (1968). (JO) Mentall, Morgan, JCP ~' 2271 (1972).
(15) Nicholls, JP B 1, 1192 (1968). (Jl) Stone, Zipf, JCP 2.Q, 2870 (1972).
(16) Price, in "Molecular Spectroscopy", p.221 (ed. (J2) Thulstrup, Ohrn, JCP ..27., 3716 (1972).
Hepple). The Institute of Petroleum, London (1968). (JJ) Appell, Durup, Fehsenfeld, Fournier, JP B §, 197
(17) Samson, PL A 28, 391 (1968). (i973).
(18) Sjogren, Szabo, AF J.Z, 551 (1968). (J4) Billingsley, CPL _gj, 160 (197)).
(19) Jungen, Miescher, CJP 11, 1769 (1969). (J5) Davis, Martin, Banna, Shirley, JCP 22_, 42J5 (197J).
(20) Siegbahn, Nordling, Johansson, Hedman, Hed6n, Hamrin, (J6) Field, JMS 12, 194 (197J).
Gelius, Bergmark, Werme, Manne, Baer, "ESCA Applied (J7) Bagus, Schrenk, Davis, Shirley, PR A 2, 1090 (1974).
to Free Molecules". North-Holland, Amsterdam (1969). (38) Billingsley, Krauss, JCP 60, 2767 (1974).
(21) Edqvist, Lindholm, Selin, Sjogren, Rsbrink, AF 40, (J9) Hertz, Jochims, Schenk, Sroka, CPL~' 572 (1974).
439 (1970). (40) Thulstrup, Thulstrup, Andersen, Ohm, JCP 60, 3975
(22) Jungen, Lefebvre-Brion, JMS lJ, 520 (1970). (1974).
(2J) Wentink, Spindler, JQSRT 10, 609 (1970). (41) Alberti, Douglas, CJP ..2J., 1179 (1975).
(24) Aarts, de Heer, Physica 21:, 609 (1971). (42) Coxon, Clyne, Setser, CP 1, 255 (1975).
(25) Edqvist, Rsbrink, Lindholm, ZN 26 a, 1407 (1971). (43) Hillier, Kendrick, JCS FT II .z!, 1654 (1975).
(26) Lefebvre-Brion, CPL 2, 463 (1971). (44) Darke, Hillier, Kendrick, CPL i,2, 188 (1977).

481
 482
State l1l l1l x Be lXe De re Observed Transitions References
e e e
(lo- 6cm- 1 ) (i) Design. 1
D00 = l0.850 6 eVa = 30.3

l
I.P. eVb MAR 1977 A
ln 5J4.4 eV ~
l6'(ls )c
.3n 533· 9 eV 0
ln
.3n
ln
.3n
402 • .3 eV
400. 9 eV
34.5 eV
31. 3 eV
> Removal of a
j 26'(lsN) c

36'
electrons observed in X-ray photoelectron spectra (20)(29).

(B•lr;+)d (109400) (730)d 7

c .3n e (100780) (1900)
A lll f 1601.93 z 20.207gh l.586oi 0.0245 [5.6] AL~x,k R 73083.46 z (2) (J) (4)*
73471.72 1.19.31 (36)(41)
w l~ 71450 1278! 16.o h (1.361)m (0.0192) ( 1. 288)
A I 12:+ 69540 1283£ 13.5 h (1.363)m (0.0192) (1.287)
b I 32:- 67720 1284£ 10. h l.357n (0.0192) 1.290 b'-+X, 0 (27) (36)
1 7
W J~ 61880 1313 l0. 6 h (l.377)m (0.0192) (1.280)
b .3n P 59240 1710 (14)m h (1.634)m (O.Ol84)m (1.175) b-+X, 58900 (27)
a Jr;+ 52190 1293! 15.1 h (l.J69)m (0.0192) (1.284)
Neither photoelectron spectra (9)(16)(17) nor charge exchange experiments (18) have con-
firmed the existence of a previously predicted (1)(6) electronic state of NO+ at .39960 cm- 1
above X 1 r:+. See (14).
0 2376.42 z 16.262 ~ l.99727q 0.01889 l 5.64
l 1.06322 Vibr.-rot. sp.r (12)

MAR 1977
c 64000
B (2r:+)
A ( 2 n)
x (2r;+) }
25000

0
Three states or unresolved groups of states observed by double charge transfer spectros-
} copy (JJ)1 reasonable agreement with theoretical predictions (40). l
NO+, NO++,
81Jg(NO) + I.P. (0) - I.P. (NO). jRadiative lifetime ~(v=O) = 56 ns (10)(13); f 00 = 0.00025.
bAverage of two values obtained by electron impact mass- Variation of transition moment with r (24)(JO)(Jl).
spectrometry (5) and double charge transfer spectroscopy kFranck-Condon factors (15)(23)(42).
(JJ). A similar value (J0.8 eV) can be derived from Auger !Long upper state progression in the photoelectron spectrum
electron spectra (28), but the assignments are highly (21)(25); see h.
tentative and can also be interpreted as indicating an mlnterpolated using data for CO and N2 (J6).
ionization potential of only rv26 eV. nAdjusted to give agreement with B 1.2512 as obtained
5
cThe lsN and ls 0 1 n-3n splittings are 1.41 and 0.53 eV, from a perturbation analysis (36).
respectively (29)(J5). The lsN photoelectron peaks have an °Fragments in emission from perturbed A1 lll"\.Jb'3E- levels.
anomalous intensity ratio of J.4J (J7)r theoretical inter- PLimit of Tanaka's f' Rydberg series. Very short progression
pretation (4J)(44). Predicted lsN satellite ("shake-up") in the photoelectron spectrum (9)(16)(21)(25); see h .
peaks (43). qQuadrupole moment of NO+ = +0.79 x lo- 26 esu cm 2 (19); see
dLong vibrational progression in the photoelectron spec- also ( 22) (JS) •
trum at "'2J eV (21)(25); neither the vibrational number- rObserved in the IR spectrum of hot air resulting from a
ing nor the assignment to B'l~+ are certain. (26) suggests high altitude nuclear detonation; the 1-0 and 2-0 bands
a mixed 1n state resulting from configuration interaction have been identified. Theoretical intensities (34).
between states arising from ••• 46 55' 2 1114 21T (like c Jn) and
••• 4o 2 56"l'iiJ21T2 • See also (32)(40). (1) Tanaka, Sci. Pap. IPCR (Tokyo) J.2., 456 (1942).
eLimit of the Narayana-Price Rydberg series. Single strong (2) Baer, Miescher, HPA 26, 91 (1953).
peak in the photoelectron spectrum at 21.72 eV (16)(17) (3) Tanaka, JCP 21, 562 (195J).
(21)(25). The high-energy wing is overlapped by weak un- (4) Miescher, CJP ]1, 355 (1955); HPA £2., 135 (1956).
resolved structure (w ~ 400) tentatively attributed to the (5) Dorman, Morrison, JCP J.2., 575 (1961).
corresponding 1n state by (25); see, however, d. Predis- (6) Huber, HPA J.±, 929 (1961).
sociation into N+ + 0 (J9). (7) Wacks, JCP 41, 930 (1964).
fLimit of Tanaka's ORydberg series. Short progression in (8) Halmann, Laulicht, JCP 1.J., 1503 (1965).
the photoelectron spectrum (9)(16)(21)(25)J see h. (9) Turner, May, JCP 12, 471 (1966).
gweye = - 0.2683. (10) Hesser, Dressler, JCP ±5, 3149 (1966).
hFranck-Condon factors for ionizing transitions from X 2 n (11) Spohr, von Puttkamer, ZN 22 a, 705 (1967).
(7)(8)(11)(15)(36)(42).
iPerturbations by b'JE- (4)(J6)(41). (continued on p.481 )

483
 484
State w we x e Be «e De re Observed Transitions References
e
(lo- 6cm- 1 ) (i) Design. l
O a I.P. = 0.024 evb
0 = 5.05 6 eV
D MAR 1977 A
Evidence for additional compound states ("resonances" related to the "grandparents" b3Il,
A1 n, and c3n of NO+) in the 12-18 eV region of the electron transmission (2)(7) and
electroionization (9) spectra of NO. I
The nature of the state (or states) involved in the production of N( 2D) +o- by dissociative
electron attachment (7-12 eV) has been discussed by (11); see also (10).
(JI:-)c 51700 2320 I
(J:E+)c
<Jn) c
43800
43400
2380
2370
131
12
12
Short vibrational progressions of resonances in the electron transmis-
sion current (2)r predicted widths range from l to 25 meV (14).
(l:E+)c 40400 2330 8
b l:E+ (9300)d
a lti 6050 (8)
x 3:E- 0 8

c237>Np'60 a
JUN 1975

11t-N315 I.P. = 8.87 evb MAY 1977

Theoretical potential curves for most of the observed valence states have been calculated
by ( 28).
F 2/:i [0.8J67]C [l.05] [l.4384] F-?X, 55959-8
v 56181.3 z (11)(29)*
z
J 2I:+ [(0.825)]d [(l.449)] J-7X, v 55562
55784
(29)
2n e [0.82l]e 51154e (11)(29)*
E
r [l.45 2 ] E-7X,
5133oe
I 2I:+ (44400) [1008] [o.694o]f [5] r~x, R 44050.1 z ( 7) * (11) ( 15)
[l.5793] 44271.6 z (23)* (29)
No-, 8From ng(NO) and the electron affin~ties of o and NO.
bFrom the photodetachment spectrum (5). Good agree-
ment with (J) and (4).
cSymmetries assigned on the basis of theoretical cal-
culations (6). The states consist of two Rydberg
electrons temporarily bound to the NO+ x1 r:+ core.
dFrom the analysis (13)(15) of electron scattering
data (1)(7)(8)(12). For the ground state (5) esti-
mate we~ 1470 cm-1 , see 6 •
eFranck-Condon factor analysis of the photodetachment
spectrum (5). The analysis of electron scattering
data (15) leads to re = 1.26 j.
7 b
(1) Spence, Schulz, PR A], 1968 (1971).
(2) Sanche, Schulz, PRL £1., 1333 (1971); PR A£, 69
(1972).
(3) McFarland, Dunkin, Fehsenfeld, Schmeltekopf,
Ferguson, JCP ..2£, 2358 (1972).
(4) Parkes, Sugden, JCS FT II 68, 600 (1972).
(5) Siegel, Celotta, Hall, Levine, Bennett, PR A £,
607 (1972).
(6) Lefebvre-Brion, CPL 12., 456 (1973).
(7) Schulz, RMP ~' 423 (1973).
(8) Burrow, CPL 26, 265 (1974).
(9) Carbonneau, Marmet, CJP .2,g, 1885 (1974).
(10) Thulstrup, Thulstrup, Andersen, Ohm, JCP 60,
3975 (1974).
(11) Van Brunt, Kieffer, PR A 10, 1633 (1974).
(12) Zecca, Lazzizzera, Krauss, Kuyatt, JCP 61, 4560
(1974).
(13) Trone, Ruetz, Landau, Pichou, Reinhardt, JP B ~'
1160 (1975).
NO- (continued) a
(14) Pearson, Lefebvre-Brion, PR A 1J., 2106 (1976).
(15) Teillet-Billy, Fiquet-Fayard, JP B 10, Llll (1977).
Np01 aThermodynamic properties of NpO (1).
bcorrected electron impact appearance potential (2).
(1) Ackermann, Rauh, JCP 62, 108 (1975).
(2) Rauh, Ackermann, JCP 62, 1584 (1975).
NS1 aEstimate based on a linear Birge-Sponer extrapolation for
the ground state (19). Ab initio calculations (19) give
5.2 eV.
From the photoelectron spectrum (JO).
cintensity perturbations and predissociations in both_
doublet components.
dOnly fragments observed.
eApproximate deperturbed constants, A ~ +45. This level is
strongly perturbed by v=ll of H 2 Ili (B 11 = 0.525, A11
-110).
fspin doubling constant ~ +O.l for N~ 20. The spin
00
splitting increases rapidly at higher N because of a
perturbation by H 2n(v=l). I 2 r:+(v=l) (B 1 ~ 0.695) inter-
acts with H 2n(v=2) at somewhat lower N values. A strong
homogeneous interaction with levels of C 2r:+ explains the
larger than expected 6G(~) value of I 2 r:+.
(References on p. 487 )
485
 486
State Te w wx
e e Be ae De re Observed Transitions References
l
e
(lo- 6cm- 1 ) (i) Design. voo

'4-N32 S (continued)

H 2n. (44049)g to.5972j h [1. 75] 1.702 H~X, R 43824.6 z (21)* (23)
J. 43876 767.6 5.0 0.5915 0.0059 43429.6 z (29)
i i Cj+-+X, kV 43165.9 z (1)(2)* (J)
c 2L:+ 43290 [1389] [0.8275] [1.2] [1.4464] (6)* (15)
't system 43387.4 z (24)* (29)*
G 2L:- 43346 [879.8] z [0.6905]1. m [2.5] [1.5834] G~X, R 42956.8 z (23)*
43178.3 z
(40046) z n n n A~X,k R 39688.1 z (1)(4)(6)*
A 2/). t934.4j n
r 40005 943.9 z 8.4 H [0.6850] [1.5897] fo system 39875.7 z (15)(23)*
B' 2L:+ (36255) (1060) (15) (0.78) 0 (1.49) B' ~X, 05952) 0 (26)(27)
(36174) 0
30384.1 798.78 z 0.6013P 0.0046 29953.6 z (8)(9)(12)*
B 2n 3.59 1.3 1.697 B~X, R 30085.1 (13)(15)*
r 30294.9 797.31 z 3.72 o.5962P 0.0048 1.3 z (18)(23)*
2Il 221.5q to.775156jr Microwave sp. s
x r 0 1218.7 z 7.28 0.769602 0.00635 1.2 1.49402 (16)
2 (10) (14) (17)
EPR sp.( n3/2)

14-N32S + n00 = 6.3 eV t

b

MAY 1977
Bands previously (5) attributed to NS+ have been reclassified by (23) as G~X system of NS.
x lL:+ 0 1415u 15
J l l l.44ov

NS- Ab initio calculations (22). MAY 1977

NS (cont'd), NS+, NS-1

D0 = 1.404 x l0- 6 as well as dO = +O. 0055. C 2 L:+ interacts
gAO = - 172.3. strongly with I 2 E+; in addition, v=l is extensively per-
hPerturbations by levels of E, I, C; see e,f,i. turbed by H 2n(v=2) and G 2E-(v=2).
iflG(3/2)=1414 (29), AG(5/2)~1372, AG(7/2)~1378 (11). jEstimated lifetime ~(v=O) ~6.5 ns [Hanle effect measure-
B ~0.7975, B = 0.8150 (29); (24) give B = o.82876 and
1 2 0 ments (25)].
NS, NS+, NS- (continued)s
kObserved in absorption by (20) following the flash photo- (4) Barrow, Drummond, Zeeman, PPS A §1_, 365 (1954).
lysis of OCS in the presence of excess N2o. (5) Dressler, HPA 28, 563 (1955).
!Spin doubling constant do = +O.OJ4. (6) Narasimham, Srikameswaran, PIASA 2£, Jl6 {1962).
mBl = O. 6780,- (7) Narasimham, Srikameswaran, PIASA ..2§., J25 (1962).
TI.rhe A state is strongly perturbed, particularly the 2 6 (8) Narasimham, Srikameswaran, PIASA 22., 227 (1964)1 Nature
512
component [see (2J)]; the 6G(i) values are from (4), wexe (9) Smith, Meyer, JMS 14, 160 (1964). I 12.Z, 370 (1963).
from (6), and B0 from (2J). Additional constants may be (10) Carrington, Levy, JCP 44, 1298 (1966).
found in these references but, because of the perturbations, (11) Joshi, ZP !2J:, 126 {1966).
have limited meaning. (2J) suggest that the perturbing (12) Peyron, Lam Thanh My, JCPPB 64, 129 (1967).
state is 2 ~
0
512 •
only the 1-0 band has been observed and analyzed (B1 =
(13)
(14)
Goudmand, Dessaux, JCPPB 64, 135 {1967).
Carrington, Howard, Levy, Robertson, MP 1.5., 187 (1968).
0.7716, v 0 = 37203.9 and J6982.5). The v=O level of 14N3 2s (15) Narasimham, Subramanian, JMS ~' 294 (1969).
interacts with B 2 nA(v=8) (27); weak emission from this (16) Amano, Saito, Hirota, Morino, JMS J,g,, 97 (1969).
level was observed for l5N3 2s (27). (17) Uehara, Morino, MP 1.Z, 2J9 (1969).
Pseveral perturbations. Except for v=8 (see 0 ), these inter- (18) Vidal, Dessaux, Marteel, Goudmand, CR C 268, 2140
actions have not yet been analyzed. (1969).
qA 0 = + 222.9 4 , A1 = + 223.0 , recalculated by (16) from the (19) O'Hare, JCP _ig_, 2992 (1970).
9
data of (2). (20) Donovan, Breckenridge, CPL 11, 520 (1971).
rA-type doubling, 6vfe(v=O) = +o.01325 (J+~) (16).
3 (21) Narasimham, Balasubramanian, JMS 40, 511 (1971).
sµeL( 2 nt,v=0) = 1.81 D from Stark effect measurements in (22) O'Hare, JCP ..,21, 4124 (1971).
the rotation spectrum (16); (14), using the EPR method, {23) Jenouvrier, Pascat, CJP ..21, 214J (1973).
obtained l.J D for 2n • This value was recently revised (24) Balasubramanian, Narasimham, JMS ..21, 128 (1974).
5 312
to 1. 86 D (Jl). See also ( 19). Hyperfine coupling constants (25) Sivers, Chiu, JCP 61, 1475 (1974); JMS 61, 316 (1976).
(14)(16)(17). (26) Narasimham, Raghuveer, Balasubramanian, JMS ..,21, 160
tng(NS) + I.P. (S) - I.P. (NS). (1975).
uVibrational constants from the photoelectron spectrum (JO). {27) Jenouvrier, Daumont, JMS 61, 31J (1976).
vEstimated value from a Franck-Condon factor analysis of the (28) Bialski, Grein, JMS 61, J21 (1976).
photoelectron peaks (JO). {29) Vervloet, Jenouvrier, CJP ~' 1909 (1976).
(1) Fowler, Bakker, PRS A 1.J.2, 28 (l9J2). (JO) Dyke, Morris, Trickle, JCS FT II 1.J., 147 {1977).
(2) Zeeman, CJP £2, 174 (1951). (Jl) Byfleet, Carrington, Russell, ·MP 20, 271 (1971).
(J) Barrow, Downie, Laird, PPS A ..£.2, 70 (1952).

487
 488
State Te w w
exe Be «e De re Observed Transitions References
e
(10-6 cm-1 ) (i) Design. 1 voo

llf.N80$e µ = 11. 915266 .39 D00 = (4.o) ev MAY 1977

B2 = 0.4410 2.5 (D 2 ) v(l-0)= (8) (12)*
c 2
fl5/2 (34650) 6G(J/2) = ?J8.J2 C-tX 2 , a R (lJ)*
B1 = 0.4568 O.Ol(D 1 ) r 1 =1.760 J44Jl.48 z
b B-+X 2 , R JJ431.21 z
B 2I:(-) (J4400) [o.4503] 0 [2.8] [1.7725] (12)(1J)*
B-+Xl' d R J4J22.0J z
b (4:Ei;2> (24840) [766] H [ o.440?]e [l.7917] b-+Xl' f R 24744.J H (16)
2 (24800) [612.5] z g
[0.417J] g
[0.67] [1.841] ,h
A2 --+X 2 R 23765.4 z (9)* (16)*
Az nJ/2
2 i i
Al Ill/2 (24350) [658.9] z [0.4117] [0.60] [1.854] A1 --+Xl'h R 24204.o z (9)* (16)*
4 {19700)j (710.'l)j (10.J)j (O.J6l)j {0.002)j
a c ni) (1.980)
2 891.8k
X2 IlJ/2 954.96 z 5.648 0.5189 o.oo4o 0.65
2 1.6518
X1 n1;2 0 956.81 z 5.643 0 • .5182.t 0.0040 0.65
NSe1 a(l2) originally assigned the v'=l progression to a !A-type doubling tiv = 0.04J(J+i). The interaction (due to s-
2 n!-+. xl 2Ill transl.•t•ion. uncoupling) between the nearly degenerate levels v+l and v
bA weak band at 2845.37 ~ was assigned by (12) to the of 2n and 2n , respectively, leads for v = 4,5 to an
112 312
B~Xl 1-0 transition, giving tiG' a) = 804.6. anomalousA-type doubling in both components (15).
cSpin splitting constant ro = - 0.0J5. (1) Pannetier, Goudmand, Dessaux, Arditi, CR 260, 2155
d(8) assigned the v'=O progression to a 2n.1. ~ x1 2 n~
2 ~ • (1965).
transition. These authors list a number of unclassi-
(2) Goudmand, Dessaux, JCPPB 64, 135 (1967).
fied bands in the same wavelength region.
(J) Dessaux, Goudmand, CR C .f.22, 1198 (1968).
eCalculated from the corresponding value for l5N 80se.
(4) Pascat, Daumont, Jenouvrier, Guenebaut, CR B ~' 1J09
The b state levels interact with A1 2Ill., see i
2 (1969).
fTwo very weak v" progressions.
(5) Pascat, Daumont, Jenouvrier, Guenebaut, CR C _gzQ, 20
gStrongly perturbed state; tiG(J/2)= 803.8, tiG(5/2) =
(1970).
654.4, 8G(7/2)=6J7.7; B1 =0.4252, B2 =0.4164, BJ= (6) Daumont, Jenouvrier, Pascat, Guenebaut, CR B ~' 120
0.4112, B4 = 0.4069. According to (16) the perturbing
(1970).
state may well be 4E- •
312 (7) Daumont, Jenouvrier, Pascat, CR C ~' 712 (1970).
hEarlier assignments of bands belonging to these two sub-
(8) Jenouvrier, Daumont, Pascat, CR C .£7.1, 1J58 (1970).
systems postulated the existence of two close lying
(9) Subbaram, Rao, JMS 1§., 16J (1970).
and interacting 2n states called A2n , A' 2 rr , and
2 112 112 (10) Daumont, Jenouvrier, Pascat, Guenebaut, CR c _gig, 1545
A,A• n , see (14), also (1)(2)(J)(4)(5)(6)(7)(~0)(11).
312 (1971).
(16) use A and A" in place of A1 and A2 , respectively.
(11) Jenouvrier, Daumont, Pascat, Guenebaut, CR C _gig, 1627
istrongly perturbed state; 6G(J/2)= 615.8, 6G(5/2) =
(1971).
695. 7; Bl= o.4096, B2 = o.4205, BJ= 0.409J, B5 = o. 3980, (12) Yee, Jones, JMS Jl, J04 (1971).
B7 = 0.3920, Ba= O.J901. A-type doubling tiv(v=O) = (lJ) Harding, Jones, Yee, Jenouvrier, Daumont, Pascat,
O.OJ2(J+i), the sign being opposite to that in x 1 2 n~.
Guenebaut, CJP 12., 2033 (1971).
For higher vibrational levels the A-type doubling is
(14) Daumont, Jenouvrier, Pascat, Guenebaut, JCPPB £2., 218
.irregular owing to the strong interaction with b 4 Ei; 2• (1972).
JA~ -25; all constants have been derived from the ana-
(15) Jenouvrier, Pascat, Lefebvre-Brion, JMS !±.,2, 46 (197J).
lysis of perturbations in the A1 , A2 states of l5N 80se
(16) Daumont, Jenouvrier, Pascat, CJP ~' 1292 (1976).
and 14N80se; see (16).
kAeff = 890.84 as given in (lJ) corresponds to the dif-
ference between the two hypothetical J=O levels.

489
 490
State T w w x Be «e De re Observed Transitions References
e e e e
(10- cm- 1 ) (i) Design.
l voo

1602 µ = 7.99745751 0
DO = 5.1156 eV
a 12.071 eVb
I.P. (l'fl'g) = MAR 1977 A
( 11Tu) 16.092 eve =
(JE>g) 18.159 eve =
A detailed review of the entire spectrum of (26u) = 24.549 eve
molecular oxygen has been published by (141). ( 26'g) = 39.6 eVd
I (ls 0 ) = 543.1 evd
Potential energy diagrams (63)(128)(141)(190); predicted electronic states and potential functions (167)(176)(182).

Several Rydberg states converging to the oxygen K limits at 543.1( 4 E-) and 544.2( 2E-) eV, in
X-ray absorption and electron energy loss spectra. (1JJ)(l66)
} (175)
Strong X-ray absorption peak (excitation ls 0 ~11Tg). Z<- x, I 5J2 eV
8

Absorption cross sections and cross sections for the production of atomic fluorescence by photodissociation
in the region 175-850 i (570000-115000 cm- 1 ) (156)(158)(161)(164). Earlier results in (18)(23)(58).
Rydberg states with the outer electrons in Js&, Jp6, 3do orbitals and the o;
core in the
highest ••• l'frj 1-rr: 2nu state have been tentatively identified in the electroionization (160)
spectrum of o2 at 20.73, 21.75, 22.28 eV, respectively.
Codling and Madden's Rydberg series converging to c 4 E-(v=O) of
2 fg u
1 o;
R/(n- 0.16) n = 3 (Y state) ,4 ••• 11. } ..
v = 19 8 125 - { 2 fgh Similar series with v'=l. (65)*
R/{n-0.95) n 3(Wstate),4 •••• 8.
(184440)
(168290)
[1510]
[1510]
I : I I Y+- X,
w~ x,
184410
168260
(65)*
(65)*
Yoshino and Tanaka's weak Rydberg series converging to B 2 E~(v=O) of 1 o;
v = 16J700 - R/{n- 0.54) 2 n = 6 (V state),7 ••• 12.f Similar series with v'=l,2,3. (98)
v f
(160270) (1100) I I IV+-X, 160031 (98)
Tanaka and Takamine's strong Rydberg s. of R shaded dif. b. converging to B ~-(v=O) of 2
2 fi g
v = 163702 - R/(n-0.70) n = J(Ustate),4 ••• 23. Similar series with v'=l,2,J. (9)(86)*(98)*
 State w we x e Observed Transitions References
e
cR> Design. l v 00

16 02 (continued)
Fragments of Rydberg series (155000 - 160000 cm- 1 ) converging to D
2{).g of o;. (93)
Namioka, O~awa and Tanaka;s Rydberg s. of weak R shaded b. converging to b E~(v=0) of 4
o;s
v = 146560J - R/(n - 0.53) n = 4 (R state) ,5 •• •16 .f Similar series with v'=l. 2. (44 )( 98)*
Tanaka and Takamine's Rydberg s. of strong R shaded b. converging to b 4E;(v=O) of 0;1
v = 146556j - R/(n- o.68) 2 n = 4 (Q state),5 ••• 30.fk Similar series with v'=l. •• 4. ( 9 ) ( 44) ( 98 ) *
f i
u 142548 1148 H 23 u~x, R 142329 H (9)(86)
f (98)
R (137643) ( 1152) H R~ X, R 1374J2 H
f i
Q 136759 1207 H 18 Q~X, R 136571 H (6)(44)(98)

o2 s a= 41260 ~ 15 cm-1, from the convergence limit of the gstrongly preionized.

iH- X bands ( 21). hA weak satellite series approximately 50 cm- 1 longward of
bFrom the high-resolution photoelectron spectrum of (178), the main bands has been observed by (65).
see also (60)(72)(97). Photoionization studies [(73)(75), iPreionization observed by photoionization mass-spectro-
additional references in (178)] give appearance potentials metry (170).
of rv 12.067 eV. jThe limits refer to band origins; the approximate head-
cCalculated from the energy levels of a; . origin separation has been subtracted from the observed
dFrom the X-ray photoelectron spectrum (112). heads.
e(l66) obtain 530.8 eV from the electron energy loss kBoth preionization (to o;
+ e-) and predissociation (to
spectrum. o+ + o-, for n ~ 5) have been established by photoionization
f Possible upper state symmetries have been discussed on mass-spectrometry (170).
theoretical (81) and empirical (93) grounds. Several of
these Rydberg levels have also been observed in the high-
resolution electron energy loss spectrum (99).

491
 492
State w
e Observed Transitions References
Design. J v 00

1602 (continued)
Additional unclassified bands in the region lOOOOO-lJ5000 cm-1 (9). Absorption and photoionization cross
sections of o2 (X JE~) 100000 - 170000 cm- 1 (J0)(5J)(54)(82). Dissociation continua with maxima at 125000,
1)1000, 1)8000 cm-1 (15J).
p 1~ 118951 107la H 8.J l.116b 0.014 (4.5) 1.374 p-t- a, R 110815 H (79)* (108)*
u (169)*
(118200) (1050)c (15) d
I" I"~ X, (117900) (9)(170)
1050e df (6)* (9)*
I' 117750 9.9 I'~ X, 117490 (53)*
116420 1070e df (6)* (9)*
I 14.5 I+- X, 116160
(53)*
H (Jn ) 99880 [107o]g d H~ X,
(2)* (6)*
u 99630 (9)* (53)*
1
Additional discrete and diffuse absorption bands in the region 80000- 100000 cm- (only partly assigned) may (6)* (17)
belong to various Rydberg series converging to the first ionization potential. Onset of the ionization con- (146)(151)
(173)
tinuum observed at 1027.6 ~ (97314 cm- 1 ) by photoionization mass-spectrometry (170). Absorption cross sec-
tions of o2 (X JE~) 51000- 100000 cm- 1 (30)(68)(17?). Absorption cross sections of o2 (a 1 ~g) have been
measured (177) from 63000 to 92000 cm- 1 [see also (118)], photoionization cross sections (114a) from 89400
to 96600 cm- 1 •
4f complex [91300] Very complex spectrum 90400 - 90700 cm- 1 • 4f-E- a, 82500 (152)
4f-E- X, 90500 (151)
90044~ h l.588~
f f
m~ 1.152~ h L+- X, v 89161.0 h zz
f 89257.3
L ( Jnu) 89948 l.5Jl h 1.173 {151)
89858 1.486 h 1.191 89070.7 z
k ,1~ u > [89066] [1.451] [20.8] [1. 205] k+- a, v 80395.8 z (84)(146)
j (lE+) i (87209) [1896] [1. 701] j [12]j [1.llJ] j +- X, v 87370.2 z (111)* (151)
u
G (JE+) k
u (86998) [1822] [1. 693] o.026k [1.114] G-E- X, v 87122.l z (l.51)(17J)*
1
A Rydberg series (observed in absorption from a 6 g ) joins on to e,e' and i,i' and converges to X 2Ilg of o + •
2 (146)(152)
 State Te w w x Be Q'e De re Observed Transitions References
e e e
(lo- 6 cm- 1 ) <R> Design. 1 voo

1602 (continued)

~.}~a, z
i (162u) (86846) [2062] [1.688] 0.042 [10.5] [1.117] 79208.0m (84)(146)
v (152)
i' ( 36 )
2u (86843) [1699] [1.791] [140] [1.085] 79022.6m z
h ( lrr u ) (86750) (2200) [i.451T [l. 205]n h~ a, v 81362.5n z (84)(146)
g (ln )
u
(86604) [2048] [1.615] 0 [6.o] 0 [1.142] g+- X, v 86841.4 z (151)

~he o-o, 1-0, 2-0 bands are overlapped. Vibrational num-
bering confirmed by 18 0 2 isotope shifts.
bRotational analyses for v=3,5,7; v=4,6,8,9 are diffuse.
cProbably progression II of (9), extended and reassigned by
Katayama, Huffman, Tanaka [unpubl., see Figure 1 of (170)].
dPreionization observed by photoionization mass-spectrometry
(170). Several autoionizing levels have been studied by
photoelectron spectroscopy (123)(155)(157). See also (47).
eThese progressions have been reassigned and extended by Ka-
tayama; Huffman, Tanaka (see c) and include most of the
bands of progressions I, N, I', P of (6). They occur in the
region of the second member (4sog) of the Rydberg series
beginning with H [(93), see g]. Other Rydberg series going
to a 4 nu or A2 nu may also be present; higher members possibly
account for many unassigned bands in the region 810 - 71+0 R
(12JOOO - 1)5000 cm- 1 ).
fThat the diffuse nature of the bands is at least partly due
to predissociation has been shown by the observation of o I
lines in fluorescence; (161) gives cross sections for this
reaction from 850 to 650 .R (117000 - 151+000 cm-1 ).
gLong but strongly perturbed v• progression composed of bands
previously (6) assigned to four shorter progressions H, H',
M, M'; first member (Jso) of a Rydberg series converging
to a 4 nu of a; (93)(195).gThe intensity distribution ~(53)
(82), see also (170)] closely resembles that of the a nu
progression in the photoelectron spectrum (195). -
hvibrational numbering uncertain.
1. 3 +
(111) assumed this to be a Eu state; reassigned by (151).
j Bl = 1. 6 98 , D = 4 2 x 10 - 6 •
1
kPartial rotational analyses of a weak and diffuse 0-0 band
and of stronger l··O and 2-0 bands ( 151).
!The 18 0 2 isotope effect shows that this is a 0-0 band (173).
~he two components are assumed to correspond to the ground
state splitting (A= 200) of o;(146)(152).
nPerturbed rotational structure. According to (146) these
constants refer to the 1-0 band, the unresolved o-o band
being at 79180 cm- 1 •
0
constants for Il+r B0 (n-) = 1.611, D0 (n-) = ll+x io- 6 • Con-
stants for the diffuse v=l level were also determined.

493
 494
State Te w
e OJ
ex e B
e cxe De re Observed Transitions References
(lo- 6 cm- 1 ) <R) Design. l voo

lbQ2 (continued)
F' [87510] Group of six line-like features similar to F~ X. F'+- X, 86720 (17)(173)*
86085.0 z
F Jn
u
(85868)
(85780) ~2008~
2000
H
H
V=l
diffuse
~l.4)1>~
l.J98 [~~~oj [1.212~
1.228 F~ X, 85992.6 a z (1J6)(151)
(85689) 2001 H l.J52 5.J 1.249 85902.J z (173)*
3l:- b b R 80J69b (6)* (17)
E u (79883) [2547] E'- X,
(150)(173)*
f lz::+ c 19.0 1. 703d 0.020 e ff- b, v 63141.5 z (84)
u 76091 1927 l.llJ
f~ x, v 76262.4f (84)(111)*
(173)*
D {JI:+) g (75260) 19.7 l.7Jh 0.025 i v (75450) (84)(111)*
u 1957 1.104 D+- X,
(173)*
1 [1. 682] (diffuse lines) 67499.6k z
e ( 8 2u> (75254) [18JO] H [1.119]
e } <-a, v (84)(118)
-e 38 )
I (
2u (74915) [2052] H
j
e' 67272 k H (146)(152)
J,-
d cln g ) (6918.0) [1860] (d+-X) 6932om ,
(192)
c (Jn g ) [1840] n ( C+- X) 6567om
(150)(171)
(65530)
(5)*(7)*(21)*
B 32::..
u 49793.28 709.31° z 10.65° 0.81902opq 0.01206° 4.55r 1. 6042 6 B~X,st R 49J58.15 z (78)* (96)*
Schumann-Runge b. (115)(168)

o2 , ~he 18 0
2 isotope shift shows that this is a o~o band. F 3nu
is a mixed state resulting from the avoided crossing of the
unstable Jn u state (arising from Jp + Jp) with the lowest
3nu Rydberg state (Jpou); see (167)(194). Oscillator
strengths (171).
bThe three strongest bands in this region at 80369, 82916,
85345 cm- 1 [called "longest band", "second band", "third
band" by (17)] have long resisted attempts at identifica-
tion. Recent ab initio calculations (186)(194) have shown
that very probably they correspond to the second 3z::~ state
formed by the avoided crossing of B JL~ with the lowest JI:~
Rydberg state (Jprru). The predicted we is of the order of
JOOO cm- 1 • A~l three bands are diffuse [o( 1D) atoms have
been detected in the predissociation of E JI:~ (19.J)] and
show double peaks (two close double peaks for the "second
band"). In 18 0 2 the rotational structure 'of the "longest
band" is resolved [B = 1.307 2 , D1= 1. 8 x lo- 6 , 'X= -J.J ,
1
7
r'=
+0.045 (179)] and confirms that the upper state is indeed
3z::~ (17J). On the basis of the observed isotope shift (173)
prefer the assignment of the "longest band" as 1-0 b. [see
o 2 (continued)1
also (194)]. f values of 0.0102, 0.0080, 0.0015 for the
three bands have been determined from electron energy loss
measurements (171).
ca'.. state of (84), progression II of (17).
dv=2 diffuse. Rotational constants for 18 0 2 in (179).
eD =25. 8 xlO -6 , D =7xl0 -6 , D =10xl0 -6 •
2 3 4
fThe 0-0 band is not observed since it is in the continuum
which covers the 1300 R region.
g/3 state of (84) who assumed it to be 1 E~; reassigned by
(111). Progression I of (17).
hLevels other than v=2 and 3 are too diffuse for analysis,
both in 160 2 and 18 0 2 ; for the latter see (179).
i _D = 1 4 • 8 x 10 -6 , DJ= 21.0x 10 -6 •
2 1 7o 16 o, 18 016 0, 18 0 (52)(61);
J6G(J/2) = 1698, 6G(5/2) = 1838.
ksee m on p. 493.
t6G(J/2) = 1770, 6G(5/2) ~ 1800.
mFrom electron energy loss spectra. C and d are considered
to be the lowest Rydberg states (Js~g) of o 2 • Apparent os-
cillator strengths, summed over the first four bands of the
C-X progression, yield an f value of 0.00074 (171).
n6G(J/2) = 1960, 6G(5/2) = 1780 [average of values given by
(150) and (171)].
0
weye= -0.139, Oe= -0.0005.56, from a low order fit to v6 4;
the representation of levels having v 6 13 requires seven
Yio and seven Yu coefficients (141) (190). Band origins (v"=
O), Bv, Dv values for v'=0 ••• 21 (11.5)(168)(190); T0 values
of (115) (absorption) and (168) (emission) agree to better
than 0.1 cm- 1 [note, however, two typographical errors for
G0 and c in Table 5 of (168)]. Convergence limit of the
3
vibrational levels at 57127. cm-l (21). RKRpotential (141)
5
PT he spin splitting constants at low v are A = 1. 5 , I(
37) ( 64).
1
-t~ o. 04 cm- • They increase rapidly above v~12 ( 21) (135).
qPredissociation above v=2 established by line width measure-
ments in absorption (27)(31)(92)(115)(119)(139); maximum
at v=4, subsidiary peaks at v= 7,11. Ab initio calculations
(134)(174)(185) show that the repulsive 5nu state from nor-
mal atoms is the main contributor to the predissociation
with smaller contributions from 1 nu, 3nu [earlier investi-
gators assumed this to be the only contributor (101)(110)
(114)(125)] and 3E~. Evidence for inverse predissociation
has been found by (95); see also (122)(1Jl).
rfa = +O. 22 x lo- 6 for low v; Dv increases rapidly above v ~ 4.
sThe B state levels have been observed in absorption from
v'=O to the convergence limit (see 0 ) (21)(115). Absorption
by vibrationally excited o 2 (v"~ 5) (74)(96); data for
2 absorption in inert gas ma-
trices (58a)(6Ja)(ll5a) and (197). The formation· of o( 1D)
atoms by photoabsorption in the adjoining continuum has
been verified by (19J). Emission bands with low v• and
high v" are observed in various electrical discharges
(13) (39) (168).
tFor intensity measurements in the discrete portion of the
B- X system see ( JOa) ( 69) ( 90) ( 92) (llJ) (117) ( 171), and in
the continuum (68)(69)(71)(171); at the absorption maximum
near 1445 R (69200 cm- 1 ) the absorption coefficient is 382
cm- 1 (O=l.42xl0- 1 7cm 2 ) (71). Absorption f values vary
from J.4 x 10-lO for the 0-0 band to J.4 x 10-5 for the 14-0,
15-0 bands to l.Jxlo-5 for the 20-0 band, yielding an os-
cillator strength sum of rv J2 x 10-5 for the Schumann-Runge
bands. The overall electronic absorption oscillator strength
is 0.162 which represents an upper limit if, as suggested
by (171) and recently confirmed by (196), the continuum
contains contributions from other dissociative states; see
(continued on p. 497 )
495
 496
State Te we wexe. Be ae De re Observed Transitions References
(lo-6 cm- 1 ) (Jl) Design. voo
1602 (continued)
JI:+ a
A u 35397.8 799.07 z 12.16a 0.9106 0.01416 4.7b 1.5215 {A-+ b)c (21886)
(A~a)c (27125)

A' Jti u (34690)f (850)g (20)g (0.96)h (0.0262) h (1.48)

I
A~X,de R 35007.15
Herzberg I b.
(A' -+a)c (26440)
z (16)* (22)*
(89)*

A'~X,ij R (J4J20)g (19)*

Herzberg III b.
l!:- k k
c u JJ057·3 794.29 z 12.7.36 0.9155 0.01.391 [7-4] 1.5174 c-+ a, 1. (24782) (188)
c ~ X, m R )2664. l z (19)* (87)
Herzberg II b.

o2 s aweye = - 0.55 0 , fe = - 0.0009 7 • The constants of (16}
have been adjusted (80)(141} to the revised vibrational
numbering (v' raised by one unit) of (22). The spin
splitting constants for low v are A= - 4.9 and
5
t
~ O;
they decrease appreciably above v ~ 7. RKR potential ( J7)
(89)(140)(141).
bDv increases rapidly above v ~ 4.
cThe tentative identification of the A-+b transition in
an oxygen afterglow by (22) was not confirmed by (26).
Other unidentified features in the nightglow and in the
oxygen afterglow have been variously attributed to the
A~ a and A' -+a transitions by ( 189) and ( 28), respec-
tively. A high resolution trace of one of these bands
at 4007 ~ can be seen in Figure 1 of (87).
dFirst observed in absorption at atmospheric pressure and
a path of >25 m (4a)(16). The bands occur in emission in
the nightglow (24)(28) and in various afterglows (22)(26)
(42)(88). According to (J4)(58a) bands correlated with this
system have also been observed in matrix isolation studies;
these bands have recently been reassigned, see j•
eFor detailed intensity measurements in the discrete region
and in the adjoining continuum see (43)(69)(104)(127)(129).
The electronic absorption oscillator strength is IV 10-7;
cross sections in the continuum vary from "'0.5 x lo- 24 cm 2
at 2400 Ji to "')Oxlo- 24 cm 2 at 1920 R where transitions to
other dissociative states begin to make significant contri-
butions to the observed intensity (129). Franck-Condon fac-
tors and Franck-Condon densities (80)(89)(140)(141).
fThe separation of the F and F 2 components in v=6, extra-
3
polated to J=O, is 145.9 cm- 1
o2 (continued)1
gThe vibrational constants and v 00 have been estimated
from measurements of the diffuse high-pressure bands
(see i). The only accurately known vibrational inter-
val is 6G(5~) = 611.2 for the F component (19). The
3
vibrational numbering is uncertain.
hExtrapolated from B and B6 assuming a linear Bv curve;
5
the v numbering has been estimated (see g).
ionly two weak bands have been analyzed at low pressure
and 800 m path length (19). At high pressure and in li-
quid o 2 a fairly strong progression of diffuse triplets
has been studied by many investigators. This progres-
sion appears to be the analogue in (0 2 ) 2 of the A'f-X
bands (their intensity increases with the square of the
pressure) (1)(4)(8)(19). For lack of other information
the A'-E-X 0-0 band is assumed to be at the position of
the first diffuse high-pressure band.
0 2 (continued from p. 49 5 ) 1
also (187). A rather different total f value of 0.040 is
derived from shock-tube absorption and emission studies
(JJ)(51)(10J)1 the discrepancy is probably due to the r-de-
pendence of the electronic transition moment (56)(77)(121)
jVisible emission bands of oxygen in low temperature ma-
trices (34) have recently been reinterpreted (188) as be-
longing to' the A' ~ X sys tern.
k
weye = - 0.2444, weze = + 0.0005 5 ; re = - 0.00074 0 • The
constants refer to the revised vibrational numbering sug-
gested by (87); seem.
!This system was only observed in Xe matrices (v 00 = 24552)
by excitation with VUV light.
min absorption the 6-o, ••• ,11-0 bands [new v' numbering of
(87), l-o, ••• ,6-o in the old numbering of (19)] have been.
observed with path lengths of 800matm (19); in emission
several bands with low v'are seen in the afterglow of an
oxygen-argon mixture (70)(87). The v'=O progression is the
strongest feature of the Venus night airglow (191).
(187). Franck-Condon factors based on RKR and similar po-
18
tentials (50)(77)(106)(141)(190); (77) give data for_ o 2 •
The spectral emissivity in the Schumann-Runge bands has
been discussed by (85)(10J). Franck-Condon densities (55).
497
 498
State T w wx Be ae De re Observed Transitions References
e e e e
(lo- 6 cm- 1 ) (i) Design. voo

IE>Q2 (continued)
b l;:;+ 13195.1 1432.77a z 14.ooa l.40037a o.0182oa 5.351b 1.22688 b~a, c (40)
g 5238.5
b~X, de R 13120.91f z (12)*
I Atmospheric oxygen b.
a lb 7918.1 [1483.5 0 ] z (12.9) 1.4264 0.0171 [4.86] 1.21563 ag~X, he R 7882.39 z (10)*
g
IR atmosph. oxygen b.
3;:;-
I .
x g 0 1580.193 z 11.981 i [1.4376766] j o.0159 kt [4.839]Jt
3
1.20752 Rot.-vibr. sp. (12a)(75a)
Be= 1.44563 (collision induced) (142)
Rotation sp.mn (94)(105)
Spin reorientation mo (20)(41)(76)
(fine structure) sp. (120)(159)
Raman sp.P (38)* (124)*
(162)(183)*
EPR sp. (25)(138)(154)
l

o2 , aThese constants have been re-evaluated [(148), see also
(168)] from the measurements of the b- X system (12) using
improved lower state constants; te
= - 0.000042. RKR po-
tential curve (148). Constants for 160 18 0, 160170 in (12).
b+ o.0318(v+!) + 0.0012(v+!) 2 • The Dv values have been cal-
the 0-0, 1-0, 2-0 bands are 532, 40.8, 1.52, respectively
(102); slightly smaller values in (137). The transition
probability for the 0-0 band is 0.075 s- 1 [average of values
given by (102) and (137)]. (49) gives the band oscillator
strengths r 00 = 2.5x10 -10 , f 10 0.2x10 -10 • RKR Franck-
ll;$

culated (148) using vibrational wavefunctions computed
from the experimental potential curve1 see (147).
cQ branch of the 0-0 band observed in a discharge through
o 2 and He. Absolute transition probability tv2.5x 10-3s-1 •
din absorption observed in the solar spectrum; in the l~­
boratory with more than 1 m path. In emission in the aurora
and nightglow (14) as well as in various discharges (11)
(15)(39)(40). Band intensities [in cm- 1 km- 1atm- 1 (STP)] for
Condon factors (141)(190); rotational intensity distribu-
tion.and pressure broadening (100)(102)(137).
9
Pressure induced spectra a~ X, b~ X as well as simultaneous
transitions in two colliding molecules have been studied by
many investigators. See recent papers by (116)(142) which
refer to earlier work.
f(l48) give v 00 = 13122.235 cm-1 , differing by +~A.(spin­
spin interaction in X 3~;) from the zero line of (12).
o 2 (continued)1
gEPR spectra of o 2 ( 1 6g) (62)(126); for 1 7o 16 o see (132) • .
hobserved in absorption in the solar spectrum (10), in
emission in a discharge (40) and in the day and twilight
glow (29)(45)(91). Values given for the transition proba-
bility A00 (s- 1 ) are 2.5 8 x 10-4 (67), l.9x 10-4 (29), 1.5
xlo- 4 (5la). Franck-Condon factors (36)(141)(190)1 (107).
iw e y e = + 0.0474 , we z e = - 0.00127 (141)(190), see also
7 3
(5). 6G(i) = 1556.381 (12)(148)(162), higher 6G values
are less accurately known. G(v) values for v £: 28 are
listed in (168). RKR potential curve (32)(141)(190).
jFrom a re-evaluation by (172) of all available microwave
and photographic (electronic and Raman) data; these con-
stants supersede earlier results of (144) and are in very
good agreement with (180)(181). Spin splitting constants
Ao = + 1.9847511, fo = - 0.00842536; higher order (centri-
fugal distortion) constants in (172)(180)(181), see also
(165). For v=l, Al=+ 1.989586, di = - 0.0084468 (159), s.
k+ o.oooo6 41 (v+!)2- 2. x lo- 6 (v+t)J (141)(190).
85
I also (154).
B1 = 1.42192 (148)(159)(168); see also (12).
1.B and Dv values for v£: 28 are listed in (168).
mF~r microwave data on 180 2 see (149), on 16018 0 (159)(180).
nLaser magnetic resonance spectra (14J)(l45)(181).
0
The Stark effect of the 118 GHz fine structure transition
(N=l, J=l~J=O) has been observed by (163) leading to a
reliable value for the polarizability anisotropy ~ 11 -tx.L=
1.12 ~J.
PFor Raman data on 16 0 18 0 and 18 0 2 see (183)(184). The 2-1
hot band was recently resolved in the purely isotropic part
of the scattered light (198). Spin structure (130).
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(107) Haslett, Fehsenfeld, JGR 1!±, 1878 (1969). Jrd International Conference on Vacuum Ultraviolet
(108) Huffman, Larrabee, Baisley, JCP 2Q, 4594 (1969). Radiation Physics, Tokyo (1971), p. lpAl-6.
(109) Albritton, Schmeltekopf, Zare, JCP j!, 1667 (1969). (1J4) Schaefer, Miiler, JCP jj, 4107 (1971).
(110) Murrell, Taylor, MP 16, 609 (1969). (1J5) Bergeman, Wofsy, CPL 1j, 104 (1972).
(111) Ogawa, Yamawaki, CJP !fZ., 1805 (1969). (1J6) Chang, Ogawa, JMS 44, 405 (1972).
(112) Siegbahn, Nordling, Johansson, Hedman, Heden, Hamrin, (1J7) Galkin, Zhukova, Mitrofanova, OS(Engl. Transl.) Jl,
Gelius, Bergmark, Werme, Manne, Baer, "ESCA Applied to 462 (1972).
Free Molecules", North-Holland (1969). (1J8) Gerber, HPA ~' 655 (1972).
(113) Ackerman, Biaume, Kockarts, PSS 18, 1639 (1970). (139) Hudson, Mahle, JGR JJ_, 2902 (1972).
(114) Child, JMS Jl, 487 (1970). (140) Jarmain, JQSRT 12, 603 (1972).

501
 502
o2 , (141) Krupenie, JPCRD 1, 423 (1972). (167) Buenker, Peyerimhoff, CP ~' 324; CPL J!±, 225 (1975).
(142) McKellar, Rich, Welsh, CJP 2Q, l (1972). (168) Creek, Nicholls, PRS A~' 517 (1975).
(143) Mizushima, Wells, Evenson, Welch, PRL £2., 831 (1972). (169) Katayama, Huffman, Tanaka, JCP 62, 2939 (1975).
(144) Welch, Mizushima, PR A 2, 2692 (1972). (170) Dehmer, Chupka, JCP 62, 4525 (1975).
(145) Evenson, Mizushima, PR A 2, 2197 (1972). (171) Huebner, Celotta, Mielczarek, Kuyatt, JCP £], 241
(146) Yamawaki, Ogawa, Internal Technical Report (1975).
University of Southern California Vac-UV-130 (1972). (172) Johns, Lepard, JMS 22, 374 (1975).
(147) Albritton, Harrop, Schmeltekopf, Zare, JMS 46, 25 (173) Ogawa, Yamawaki, Hashizume, Tanaka, JMS jj,, 425 (1975).
( 1973). (174) Julienne, Krauss, JMS 22, 270 (1975).
(148) Albritton, Harrop, Schmeltekopf, Zare,- JMS 46, 103 (175) LaVilla, JCP .2.J., 2733 (1975).
(1973). (176) Moss, Goddard, JCP .2.J., 3523 (1975).
(149) Steinbach, Gordy, PR A~' 1753 (1973). (177) Ogawa, Ogawa, CJP 22, 1845 (1975).
(150) Cartwright, Hunt, Williams, Trajmar, Goddard, PR A ~' (178) Samson, Gardner, CJP .2], 1948 (1975).
24J6 (1973). (179) Ogawa, CJP 22, 2703 (1975).
(151) Chang, Ogawa, Internal Technical Report (180) Steinbach, Gordy, PR A 11, 729 (1975).
University of Southern California Vac-UV-140 (197J). (181) Tomuta, Mizushima, Howard, Evenson, PR A 12, 974
(152) Collins, Husain, Donovan, JCS FT II .2..2,, 145 (1973). (1975).
(153) Cook, Ogawa, Carlson, JGR 1§., 1663 (1973). (182) Beebe, Thulstrup, Andersen, JCP 64, 2080 (1976).
(154) Cook, Zegarski, Breckenridge, Miller, JCP ~' 1548 (183) Edwards, Good, Long, JCS FT II 2.E., 865 (1976).
(1973). (184) Harney, Milanovich, CJS 21, 162 (1976).
(155) Kinsinger, Taylor, IJMSIP 11, 461 (1973). (185) Julienne, JMS .QJ, 60 (1976).
(156) Lee, Carlson, Judge, Ogawa, JQSRT lJ, 1023 (1973). (186) Yoshimine, Tanaka, Tatewaki, Obara, Sasaki, Ohno,
(157) Tanaka, Tanaka, JCP .22., 5042 (1973). JCP 64, 2254 (1976).
(158) Watson, Lang, Stewart, PL A 44, 293 (1973). (187) Julienne, Neumann, Krauss, JCP 64, 2990 (1976).
(159) Amano, Hirota, JMS 2J., 346 (1974). (188) Richards, Johnson, JCP £2, 3948 (1976).
(160) Carbonneau, Marmet, PR A 2, 1898 (1974). (189) Wraight, Nature _g.QJ, 310 (1976).
(161) Carlson, JCP 60, 2350 (1974). (190) Albritton, Schmeltekopf, Zare, "Diatomic Intensity
(162) Fletcher, Rayside, JRS _g, 3· (1974). Factors", Harper and Row (to be published).
(163) Gustafson, Gordy, PL A~' 161 (1974). (191) Lawrence, Barth, Argabright, Science .J:.22, 573 (1977).
(164) Lee, Carlson, Judge, Ogawa, JCP 61, 3261 (1974). (192) Trajmar, Cartwright, Hall, JCP £2, 5275 (1976).
(165) Veseth, Lofthus, MP _gz, 511 (1974). (193) Stone, Lawrence, Fairchild, JCP Qj,, 508J (1976).
(166) Wight, Brion, JESRP ~' 313 (1974). (194) Buenker, Peyerimhoff, Peri6, CPL 42, 383 (1976).
02 1 (195) See ref. (29) of o;. I
(1976).
(196) Cartwright, Fiamengo, Williams, Trajmar, JP B 2, L419
o; (continued from p. 505 )1
been re-evaluated from more precise measurements by (48)
who also give improved A.-type doubling constants.
c' + o.03x 10 -6 (v+~) + ••• ; Dv computed from RKR potential (34).
(1) Bozoky, zp 104, 275 (19J7).
(2) Nevin, PTRSL A .f.Jl, 471 (19J8); PRS A~' 371 (1940).
(3) Nevin, Murphy, PRIA A 46, 169 (1941).
(4) Branscomb, PR J.2.., 619 (1950).
(5) Feast, PPS A .2.J., 557 (1950).
(6) Nicolet, Dogniaux, JGR ..2..2,, 21 (1950).
(7) Vegard, Nature 1.§..5., 1012 (1950)1 AGEP £, 157 (1950).
(8) Dahlstrom, Hunten, PR 84, J78 (1951).
(9) Budo, Kovacs, APH 1, 27J (1954).
(10) Herman, Ferguson, Nicholls, CJP J2, 476 (1961).
(lOa)Weniger, JPR £}, 225 (1962).
(11) Kovacs, Weniger, JPR £}, J77 (1962).
(12) LeBlanc, JCP ~' 487 (1963).
(lJ) Dorman, Morrison, JCP J.2., 1906 (1963).
(14) Rao, PPS 81, 240 (1963).
(15) Rao, Nature 201, 1112 (1964).
(16) Halmann, Laulicht, JCP .i.l, 150J (1965).
(17) Dufay, Druetta, Eidelsberg, CR 260, 1123 (1965).
(17a)Jeunehomme, JCP 44, 425J (1966).
(18) Turner, May, JCP ~' 471 (1966).
(19) Spohr, von Puttkamer, ZN 22 a, 705 (1967).
(20) Bhale, Rao, PIAS A~' J50 (1968).
(21) Doolittle, Schoen, Schubert, JCP !±2_, 5108 (1968).
(22) Fink, Welge, ZN£} a, 358 (1968).
(2J) Nishimura, JPSJ 24, lJO (1968).
(24) Dixon, Hull,-CPL J, J67 (1969).
(25) Asundi, Ramachandrarao, CPL 1, 89 (1969).
(26) Lindholm, AF 40, 117 (1969).
(197) Fugol, Gimpelevich, Timchenko, OS(Engl. Transl.) 4o:~· 159
(198) Altmann, Kl8ckner, Strey, CPL 46, 461 (1977). I
(1976).
(27) See ref. (112) of 02•
(27a)Albritton, Schmeltekopf, Zare, JCP .21, 1667 (1969).
(28) Borst, Zipf, PR A 1, 1410 (1970).
(29) Edqvist, Lindholm, Selin, Rsbrink, PS 1, 25 (1970).
(JO) Jonathan, Morris, Ross, Smith, JCP 2±, 4954 (1971).
(Jl) Bhale, JMS 1J, 171 (1972).
(J2) Krupenie, JPCRn 1, 42J (1972).
(JJ) Zare, in "Molecular Spectroscopy1 Modern Research", ed.
Rao and Mathews, Academic Press (1972), p. 207.
(J4) Albritton, Harrop, Schmeltekopf, Zare, JMS 46, 89
(35) Fairbairn, JCP 60, 521 (1974). - I (l97J).
(J6) Gardner, Samson, JCP 61, 5472 (1974).
(J?) Jonathan, Morris, Okuda, Ross, Smith, JCS FT II 1Q,
(JS) Schopman, Locht, CPL 26, 596 ( 1974). j 1810 ( 1974).
(J9) Stockdale, Deleanu, CPL 28, 588 (1974).
(40) Gardner, Samson, CPL Jg,, Jl5 (1975).
(41) Raftery, Richards, JCP 62, 3184 (1975).
(42) Gardner, Samson, JCP 62, 4460 (1975).
(4J) LaVilla, JCP .2.J., 27JJ (1975).
(44) Ogawa, Ogawa, JMS ..2..5., 56 (1975).
(45) Rao, Kota, Rao, Rao, CS 44, 877 (1975).
(46) Veseth, PS 12, 125 (1975).
(47) Beebe, Thulstrup, Andersen, JCP 64, 2080 (1976).
(48) Colbourn, Douglas, JMS .§.2, JJ2 (1977).
(49) See ref. (190) of o2 •
(50) Bhale, Narasimharn, Prarna:r:ia 1, 324 ( 197.6).
(51) Tabche-Fouhaille, Durup, Moseley, Ozenne, Pernot,
Tadjeddine, CP 11, 81 (1976); PRL JZ, 891 (1976).
(52) See ref. ( J) of o2++•
503
 504
State w Observed Transitions References
e
Design. I v 00

µ = 7.9973203 7 ng= 6.663 eva r.P. = 24.2 evb MAR 1977 A

A detailed review of o;
and its spectrum may be found in (32). Predicted electronic states
and potential functions (47); contains references to earlier theoretical work.
532.1 eV Removal of a ls 0 electron from the ground state of o2 .c
x2-+A, } 526.4 evd (4J)
531.0 eV } x1 -+ a,
(x -+X), 531.8 eve (43)
2
Several additional states observed in ESCA studies (27) and tentatively assigned by (37).
29.5 eV
} Removal of a 2ug electron from the ground state of o2 • f
27.5 eV
15.8 ev Removal of a 2~u electron from the ground state of o2 • g
[1. 561] 1
(100914) [1545]h
I [6.7]
I I [1.1620]

(90000)

66719
62730
(5J620)

49552

(48000)

40669.Jt 898.25 z 0
1.06170 u 5.94V Aw-+ X, x R 40068 • 1 Z (1)(5)(20)
13.573 0.01936 1.40905
I 2nd negative b. (32)(J4)(48)
(50)
J2964Y 1035.69 z 10.)9 0
1.10466 0.01575z 4.88z i.3s13 8
I
197.Ja•
0 1904.77 z 16.259 0
1.6913 o.01976b' 5.J2C' 1.1164
I

g(
aD 0 2 ) + I. P. ( 0 ) - I. P • ( 0 2 ) •
bFrom the electron impact appearance potential of o;~ A.P.
=J6.JeV (lJ), and I.P.(0 2 ). (52) give A.P. = J?.2 eV.
cHighly excited states (K limits) observed in X-ray photo-
electron (27) and emission (4J) spectra.
dUnresolved vertical transitions.
ePredicted vertical transition; in the X-ray emission spec-
trum of (4J) this transition is hidden by an artefact.
fobserved in the low-resolution X-ray photoelectron spec-
trum of (27). In the J04 ~ photoelectron spectrum (40)(42)
find a very broad maximum corresponding to 4 I:- and two
g 2 -
sharp peaks (I.P. 40.JJ and 40.40 eV) corresponding to r.g.
gObserved in the X-ray PE spectrum (27). A very weak broad
maximum appears near 27.5 eV in the 304 R PE spectrum of
(29); not confirmed by (42). See also (37).
hAverage of values obtained by PE spectroscopy (29) and from
the limits of Codling and Madden's Rydberg series.
ispin splitting constant c = o.44 cm- 1 • Only bands having
v'=O occur in emission; predissociation (29){J8).
jFrom the limits of Tanaka and Takamine's Rydberg series;
in good agreement with constants obtained from PE spectra
(29). Predissociation (2l)(J8)(J9).
kFranck-Condon factor analysis of PE band intensities (J7).
1 only observed in the PE spectrum of o ( 1 6g) (J0)(37); ten-
2
tatively identified as convergence limit of a fragmentary
Rydberg series (26). Predissociation (J8).
mFranck-Condon factor analysis of the PE spectrum (J7}.
nOnly observed in the PE spectrum of o2 ( 1 6g) {37); vibra-
tional numbering uncertain.
0
RKR potential curves {J2)(49). Calculated Franck-Condon
factors for ionizing transitions from X JI:;, a 1 t.g' b 1 r.~
(16)(25)(J2)(49), and for recombination transitions from
X 2 ng and a 4 nu to B Jr.~ (J2). (16) give also results for
16 0 18 0 and 18 0 ; note, however, that their calculations for
2
transitions to X 2ng are based on the previously accepted
but now abandoned vibrational numbering for the ground
state of o;and lead to disagreement with observed photo-
electron intensities (19}. Experimental Franck-Condon
factors from photoelectron spectra (29)(36)(42).
Pspin splitting constant c = o.1487 cm-1 •
qf.>e = + o.18 x lo-6
5
rRadiative lifetime 7: = 1.1 µs (17a)(22)(28)(J5).
5
sObserved in various discharges (14) and in aurorae (6)(7)
(8)(15). Excitation by electron impact (2J), by fast ions
(10)(17). Franck-Condon factors (J2)(49). Rotational line
strengths (JJ).
t .
Av increases .from A0 = -3.6 to A15 = +10.0 (31) (34) (48) (50).
Theoretical interpretation (41).
ufe = - o.00017J; constants fitted to v·~ 8 (34). Additional
Bv values up to v=l5 are listed by (48) who also give .A.-
type doubling constants.
v + 0.06(v+i) + o.01 2 {v+~) 2 1 the Dv values have been computed
(J4) from the experimental potential curve.
wRadiative lifetime T= 0.69 µs (l7a)(22).
xExcitation by electron impact; its effect on the rotational
temperature (4). Franck-Condon factors (25)(27a)(32)(49).
YA 0 ••• A6 = -47.79 ••• - 48.0l (11) r anomalous dependence on J
of the multiplet splitting (9)(11). T calculated from the
limit (b 4 L~) of Tanaka and Takamine': Rydberg series with
I.P.(0 2 ), v 00 (b-+a), and the constants for a, x.
zConstants representing v=0,1,2; fie= - o.09 x lo- 6 (2). For
5
v=J ••• 6 see (J)(lOa). Slightly different constants ·in (46).
a' Av decreases from A =+200.JJ (48) to A =+192.o (J4).
0 10 5
See also (41).
b'constants fitted to v~lO (34). Selected Bv values have
(continued on p. 503)
505
 506
State w we x e Observed Transitions References
l
e
(.R) Design. v 00

µ = 7.99718322 MAR 1977

Ab initio predicted electronic states and potential curves (7); empirical calculations of
spectroscopic constants (1).

Additional states observed by Auger electron spectroscopy (4).

c 94000
} Detected by double charge transfer spectroscopy [H+ + o 2 -+ H- + o;+J (5).
b 54000
a (JI:+)
u 32500 Observed in electron impact experiments (J) and in the Auger electron spectrum (4).
x 11:+g 0 Locally stable, observed by electron impact mass-spectrometry (2){J)(6).

1602- µ = 7.99759466 ng = 4. 094 eva I.P. = o.440 evb 1 MAR 1977

b 118540 1290 Short progression of resonances in electron transmission.c 14.27 evd (8)(14)
a (4Ilu) 97800 1044 10 Long progression of resonances in electron transmission.e 11.68 evf (8)(14)
Additional resonances in the electron transmission current at 8 - 11 eVd. (8)(14)
Several bound excited states predicted by theoretical calculations (12).
A (2Il u ) (25)00) (574.5)g (7.1)g 1
I I A~X,h (25000)i (la) ( 11)
Photodetachment cross sections 6700 - 4600 ~ ( 14900 - 21800 cm- 1 ). (15)

x 2 oj l090k k 1..351. Raman sp.m (lb)())

Ilgi 8.1
EPR sp.n (1)(2a)
 ++ (1) Hurley, JMS 2, 18 (1962).
02 I o 2 - (continued)1
(2) Dorman, Morrison, JCP J.2., 1906 (1963).
(3) Daly, Powell, PPS .2.Q, 629 (1967).
(4) Moddeman, Carlson, Krause, Pullen, Bull, Schweitzer,
JCP .22, 2317 (1971).
(5) Appell, Durup, Fehsenfeld, Fournier, JP B Q, 197 (1973).
(6) Meyerson, Ihrig, IJMSIP 10, 497 (1973).
(7) Beebe, Thulstrup, Andersen, JCP 64, 2080 (1976).
0 2 -1 aFrom Di(o 2 ) and the electron affinities of O (1.462 eV)
and o 2 •
bFrom the o 2 - photodetachment spectrum (9); see also (2).
From endothermic negative-ion charge-transfer reactions
(6) obtain I.P.~0.45±0.l eV. The theoretical value is
o.42 ev (lo).
C
"Band b". Suggested "grandparent" state b 4 L:g- of o2+ •
dEnergy relative to X 3L:~(v=O) of neutral o2 •
e"Band a". The negative ion state results from the addition
of two Rydberg electrons in the 3s~ orbital to the o;
4 g
core in the a nu state ("grandparent").
fExtrapolated energy of v=O relative to X 3L:-(v=O)
g
of
neutral o 2 •
gAbsorption in KBr, vibrational numbering uncertain (11).
hObserved in alkali halide crystals at 4.2 and 2 K.
iEstimated v 00 for the free o; ion, by extrapolation from
data for various host crystals (3).
jA = - 160 cm- 1 (13).
kFrom electron scattering cross sections for gaseous o 2
(4)(5)1 similar measurements by (7) suggest we= 1140,
wexe = 12. A direct measurement of t.G"(~) in the photo-
detachment spectrum (9) gives rvl090 cm- 1 , in agreement
with extrapolations from Raman frequencies in alkali
halide crystals (3). Anharmonicities derived from low-
temperature fluorescence spectra (see h) are approxi-
mately 8.7 (11).
iFrom a Franck-Condon factor analysis of the photodetach-
ment spectrum (9) and a similar evaluation by (16) of
the electron scattering data of (5).
min alkali halide crystals and in solid Ko and Nao 2 •
2
nin alkali halide crystals.
(1) K~nzig, Cohen, PRL J, 509 (1959).
(la)Rolfe, JCP 40, 1664 (1964).
(lb)Creighton, Lippincott, JCP 40, 1779 (1964).
(2) Pack, Phelps, JCP. 44, 1870 (1966).
(2a)Zeller, Kanzig, HPA 4o, 845 (1967).
(3) Rolfe, Holzer, Murphy, Bernstein, JCP ±2_, 963
(1968); JMS 26, 543 (1968).
(4) Boness, Schulz, PR A~' 2182 (1970).
(5) Linder, Schmidt, ZN 26 a, 1617 (1971).
(6) Tiernan, Hughes, Lifshitz, JCP .22, 5692 (1971).
(7) Gray, Haselton, Krause, Soltysik, CPL 1.}, 51 (1972).
(8) Sanche, Schulz, PR A Q, 69 (1972).
(9) Celotta, Bennett, Hall, Siegel, Levine, PR A Q, 631
(1972).
(10) Zemke, Das, Wahl, CPL 14, 310 (1972).
(11) Ikezawa, Rolfe, JCP 2§., 2024 (1973).
(12) Krauss, Neumann, Wahl, Das, Zemke, PR A .z,69 (1973).
(13) Land, Raith, PRL .lQ, 193 (1973).
(14) Schulz, RMP ±2, 423 (1973).
(15) Cosby, Ling, Peterson, Moseley, JCP Q.2, 5267 (1976).
(16) Parlant, Fiquet-Fayard, JP B 2, 1617 (1976).
507
 508
State Te Observed Tr~nsitions References
Design. l v 00

t6QIH µ = 0.94808710 Di= 4.392 eVa I.P. = 12.9 0 eVb MAY 1977 A
Theoretical; potential functions for 48 states (92); for X 2 n and A
2
r;+ see (112){11J)(ll8).
c 22:+ 89459.1 12)2.9 z 19.l I 4.247cd 0.078 I 2 I
2.0461 ce~A,m R 55820.7 z (20) (42) (64)*
.... Strong many-line spectrum 1900 - 1700 -~, tentative identification. (C-+X)e (88223) (20)(46)*
D 22:- {821JO) (2954) [15.2179]f [16.16] [l.08093] Df-X,g R 81759.78hz (106)
(16) (20) (JJ)
B 2L:+ 69774 [660.0] z i [5.o86Jjd k [9.29]1. [l.869g] B~A,m R 3596.5.5 z (42)* (.58)*
( 64) * ( 73)
A 2r;+ 32684.1 3178.86 z 17.3.58opqd [20.39]S J2402. 39
h
z {J) ( 57) ( 64) *

x 2Il. ov 3737.761 z is.910 xd l9.J8z 126.23 (69a)(90)

l. 8
Rotation - vibr. b. b' c'
2
8short extrapolation of the vibrational levels in A r:+, assuming that this state 1-0 sequence (18)(27)(122)
(8) (27) (29)
has no potential maximum; confirmed by the observed predissociation in B 2r;+ (64). 2-0 sequence (122)
De= 4.621 eV, in complete agreement with the most recent theoretical value (121). 3-0 sequence {.36) (122)
bPhotoionization mass-spectrometry of HOF (99); lJ.01 eV from the photoelectron (10)(11)(14)
cSpin splitting constants fo•••(J = +1.09 ••• +o.67 (20)(64). I spectrum (125).
4-0 sequence (J6)
dRKR potential functions (32)(66). ( 11) ( 14) ( 26)
other sequences {.36)
eLifetime of the upper state of the C-+ A system rv 6 ns; measurements in the 1700 -
(1J)(l07)
1900 R region give 't' ~ 2 ns which, in spite of the poor agreement, is not incon- Rotation sp. (124)
sistent with the assignment of at least part of these bands to C-+-X ( 120). Much
)' d' 'f' (12) (41) (60)
longer lifetimes ("'80 ns) have been reported by (83). Hf A-doubling sp. e (105)(115)
(117)(126)
fspin splitting constant ro = -0.293.
EPR sp.g• (.35)(69)(72)
~heoretical oscillator strength f
00 = 0.0036 (119). (78)(93)(109)
hEnergy of N'=O relative to the zero-point of the Hill-Van Vleck expression for
the ground state.
~Using isotope relations (16) estimates we= 940, wexe = 10.5, wey e = -21. 5 •
Jspin splitting const. 4<0.03 (64). Prediss. by rotation in v=O above N=l.5, in v=l above N=9; diss.products 1s+ 2s (42)(64).
o1H (continued) 1
kB = 4.119. Constants for the B state are from (64).
i, 1 -4
D1 = 29 .1 x 10 , H1
5
-15 x 10- •
mFranck-Condon factors (42).
n-1.791 (v+!)3+ O.J2J6 2 (v+t) 4 - O.OJ585(v+!)5 (16). Energy
5
levels and improved 6G(v+~) values are listed in (64).
0
spin splitting constants 6o···dJ = 0.201, 0.196, 0.192,
0.193 (79); see also (J).
Ppredissociation in v=O above N=2J, in v=l above N=l4, and
of all levels in v=2; from the lifetime measurements of
(89)(98)(116). A sharp decrease in the intensity of emis-
sion lines originating from the predissociated levels has
been observed at or slightly above threshold in low pres-
sure flames and discharges (5)(9)(55); (21) report cor-
responding intensity increases due to inverse predis-
sociation in hydrogen flames; see also (6J). The predis-
sociation is noticeably stronger for the F1 than for the
F 2 levels; according to (59)(67)(75)(98)(101)(111)(116)
it is caused by the 4 L:- state arising from Jp + 2s, but
the possibility of predissociation by the 2n ground state
has also been considered (74)(77). A much stronger pre-
dissociation of A ?L:+ leading to diffuseness in the B~A
bands has been obs~rved (20)(58)(64) for v=5,6,7 at all
N levels and for v=8 above N=6: according to (7J) it is
produced by th~ 4 n state arising from Jp + 2s.
~el(v=O) = 1.98 D from high-field Stark effects on the
A-+ X transition ( 84).
rfe = -0.016. The equilibrium constants were derived by
(16) to fit Bv from v=O to 4. Improved Bv values (v=O ••• J)
have been obtained by (79) from the data of (J); ad-
ditional Bv values for v 6 9 are listed in ( 16) ( 20) ( 42)
(64). For term values (v=O ••• J) see (79).
sOther Dv values in (79) and (16)(20)(42)(64); H0 =
8.7 1 x10- 8 (79).
tRadiative lifetimes T(v=O,N=l) = 693 ± 10 ns, ~(v=l,N=l)
7J6 ~ 11 ns (116). The increase from v=O to v=l and a
similar variation with increasing rotation in v=O [(116),
see also (89)(98)] are explained by the dependence on r of
the transition moment [see (116) and references given
there]. (108) using a method very similar to (116) obtain
720 and 765 ns for the average lifetimes of several low-
lying rotational levels in v=O and 1, respectively. Earlier
apparently less accurate determinations (89)(91)(98)(10))
(104) gave somewhat higher Tvalues [see also (45)]; Hanle
effect measurements (86)(100) are slightly lower. The decay
time of the predissociated v=2 level (see P) is 203 ± lJ ns
for N=O and decreases rapidly at higher N (116); estimated
non-radiative lifetime for N=l rv 270 ns. High-resolution
line absorption measurements by (96) [see also (44)] give
f 00 = 0.00095 for the rotationless molecule in reasonable
agreement with lifetime measurements but in sharp contrast
to f 00 = 0.0014 8 obtained by (50) using the hook method;
f 10 values are, respectively, 0.00024 and 0.0008 •
9
uObserved in emission in all kinds of electric discharges
(often as an impurity), in flames (J4) and in the heads of
comets; in absorption in H2o vapour at high temperature (1)
and in electric discharges (2), in flames (28), in the
flash photolysis of H2o, o + H2o, and other mixtures (31)
3
(J7)(5J), and in stellar spectra, especially the solar
spectrum (24). Emission and absorption in solid neon (61).
Atlas of A- X bands ( 7) , new measurements of the 0-0 and
1-0 bands (87). Magnetic rotation spectrum (82). Franck-
( continued on p. 510 )
509

o1H (continued) 1
Condon factors (17)(25)(42). Vibrational intensity dis-
tribution (J)(ll4); rotational intensity distribution
(J9)(54); effect of variation of transition moment with r
and dependence on J (51)(114).
VAV = - 139.21 - o.275v (122).
w + o. 540 (v+~-) 3 - 0.0213 (v+~) - o. oon (v+~) 5, representing
9 3
4 ponents (2J)(47a)(88)1
4
the vibrational levels up to v=5 (122); see also (10)(11).
6G(~) = 3569.64
0 (122).
xA-type doubling parameters Pv = 0.2J5-0.006v, qv =
- O.OJ91 + 0.0018v, see (122) who give also centrifugal
distortion terms. See Y.
Y + o.0070 6 (v+t) 2 - o.0005o(v+~)3, representing B0 ••• B (122);
5
slightly different constants in (10)(79)(85)(90). Term
values for v ~ 3 tabulated in ( J) (79), for v=4, 5, 6 in (10),
for V=7,8,9 in (36).
z - o.4J 2 x lo- 4 (v+:}) + o. 024 x lo-4 (v+~) 2 ; H0 = 14. 2 x io- 8
(122). See Y.
a'The 79 µm electric dipole spectrum ( 2 Ili,J=~ (.- 2n1,J=4)
2 2.
has been measured by the laser magnetic resonance method.
b'observed in emission in the spectrum of the night sky (4)
(11)(15)(22)(26), in the H+o reaction (14)(19)(J6)(81),
3
in the H + 0 2 reaction ( 27), and in oxyacetylene flames ( 8)
(18)(29)(122). In absorption in rare gas matrices (62).
c'Radiative lifetimes derived from observed intensitiess
T(v=l) = 24 ms, T(v=2) = 12 ms (97); from the decay rate
of the 9-+7 radiations -r(v=9) = 64 ms (80). The dipole
moment function has been studied by many authors, most
recently by (J8)(76)(81) and (97) from measured band
strengths and transition probabilities. An extensive ab
initio calculation of the dipole moment function is given
by (112} [see also {llJ)]. (110) has used this ab initio
510
function to predict absolute intensities of a large array
of vibration-rotation transitions taking account of spin
uncoupling and vibration-rotation interaction [see also the
early work of (6) and (40}].
d'The 18 cm transition c2n ,J=J/2) consists of four com-
312
F'=l +- F"==2 1612.23101 MHz
1665.4018 4 MHz
F'=l ~ F"=l
F'==2~F"=2 1667.3590 MHZ
3
F'=2 +- F"==l 1720.5299g MHz
Einstein A coefficients for these transitions have been
calculated by {49). Calculated frequencies for 1 7oH (102).
e'Hrs and A-doubling constants. From Stark shifts of the hf
A-doubling transitions (48)(95) determine µet(v=O) =
1.6676 D.
f'Also observed in interstellar clouds, see the reviews in
(52)(56)(65). In some clouds there is strong evidence for
maser action. In the laboratory population inversion bet-
ween A-doublet states was recently observed by (12)).
g'observed in V==0 ••• 9. Hyperfine and A-doubling constants.
EPR spectrum of 1 7oH (68).
(1) Bonnhoeffer, Reichardt, ZPC A 112., 75 (1928).
(2) Oldenberg, JCP ], 266 (1935).
(3) Dieke, Crosswhite, Bumblebee Series Report No. 87, Johns
Hopkins University (1948)1 JQSRT ~' 97 (1962).
(4) Meinel, ApJ 111, 555 (1950).
(5) Gaydon, Wolfhard, PRS A 208, 63 (1951).
(6) Heaps, Herzberg, ZP lJ.1, 48 (1952).
(7) Bass, Broida, NBS Circular 541 (1953).
(8) Benedict, Plyler, Humphreys, JCP 21, 398 (1953)•
(9) Broida, Kane, PR !!2, 105J (195J).
o1H1 (10) Herman, Hornbeck, ApJ 118, 214 (1953). (42) Felenbok, AAp 26, 393 (1963).
(11) Chamberlain, Roesler, ApJ, 121, 541 (1955). (43) Kayama, JCP J.2, 1507 (1963).
(12) Dousmanis, Sanders, Townes, PR 100, 1735 (1955). (44) Golden, del Greco, Kaufman, JCP ]2, JOJ4 (1963).
(13) Madden, Benedict, JCP £],, 408 (1955). (45) Bennett, Dalby, JCP 40, 1414 (1964).
(14) McKinley, Garvin, Boudart, JCP £],, 784 (1955). (46) Felenbok, Czarny, AAp .£'.Z, 244 (1964).
(15) Vallance Jones, Nature 11.2, 950 (1955). (47) Phelps, Dalby, CJP !±J., 144 (1964).
(16) Barrow, AF 11, 281 (1956). (47a)Radford, PRL 1}, 534 (1964).
(17) Nicholls, PPS A .§2., 741 (1956). (48) Powell, Lide, JCP 42, 4201 (1965).
(18) Allen, Blaine, Plyler, SA 2, 126 (1957) •. (49) Turner, Nature 212, 184 (1966); 214, 379 (1967).
(19) Kraus, ZN 12 a, 479 (1957). (50) Anketell, Pery-Thorne, PRS A .1Q1, 343 (1967).
(20) Michel, ZN 12 a, 887 (1957). (51) Anketell, Learner, PRS A .1Q1, 355 (1967).
(21) Charton, Gaydon, PRS A~' 84 (1958). (52) Barrett, Science 12.Z, 881 (1967).
(22) Connes, Gush, JPR 20, 915 (1959). (53) Horne, Norrish, Nature~' 1373 (1967).
(23) Ehrenstein, Townes, Stevenson, PRL J, 40 (1959). (54) Meinel, ZN 22 a, 977 (1967).
(24) Moore, Broida, JRNBS A .2.J., 279 (1959). (55) Naegeli, Palmer, JMS £],, 44 (1967); 28, 417 (1968).
(25) Nicholls, Fraser, Jarmain, CF J, 13 (1959)~ (56) Robinson, McGee, ARAA j_, 18} (1967).
(26) Blackwell, Ingham, Rundle, ApJ 1J1, 15 (1960). (57) Stoebner, Delbourgo, JCPPB 64, 1115 (1967).
(27) Charters, Polanyi, CJC 1.§., 1742 (1960). (58) Czarny, Felenbok, AAp .Jl, 141 (1968).
(28) Gayden, Spokes, van Suchtelen, PRS A .?...2.§., 323 (1960). , ( 59) J('almer, Na~geli, JMS,28, 417 (1968).
1 1
(29) Rogge, Yarger, Dickey, JCP JJ., 453 (1960). (60) Poynter, Beaudet, PRL 21, 305 (1968).
(JO) Wallace, ApJ ~' 894 (1960). (61) Tinti, JCP 48, 1459 (1968).
(31) Basco, Norrish, PRS A 260, 293 (1961). (62) Acquista, Schoen, Lide, JCP 48, 1534 (1968).
(32) Fallon, Tobias, Vanderslice, JCP 1.!:!:, 167 (1961). (63) Gutman, Lutz, Jacobs, Hardwidge, Schott, JCP 48, 5689
(33) Herman, Felenbok, Herman, JPR 22, 83 (1961). (64) Carlone, Dalby, CJP 1.Z, 1945 (1969). I (1968).
(34) Krishnamachari, Broida, JCP 1.!:!:, 1709 (1961). (65) Cook, Physica 41, 1 (1969).
(35) Radford, PR 122, 114 (1961); 126, 1035 (1962). (66) Horsley, Richards, JCPPB 66, 41 (1969).
(36) Bass, Garvin, JMS 2, 114 (1962). (67) Michels, Harris, CPL J, 441 (1969).
(37) Black, Porter, PRS A 266, 185 (1962). (68) Carrington, Lucas, PRS A JJ:.1, 567 (1970).
()8) Ferguson, Parkinson, PSS 11, 149 (1963). (69) Churg, Levy, ApJ 162, Ll61 (1970).
(39) Learner, PRS A~' 311 (1962). (69a)Evenson, Wells, Radford, PRL .£5., 199 (1970).
(40) Cashion, JMS 10, 182 (1963). (70) Smith, JCP ..5.J, 792 (1970).
(41) Ehrenstein, PR 11.Q, 669 (1963). (71) Veseth, JP BJ, 1677 (1970).

511
 512
o1Ha (72) Clough, Curran, Thrush, PRS A J.gj, 541 (1971). (100) German, Bergeman, Weinstock, Zare, JCP 2§., 4304
(73) Czarny, Felenbok, Lefebvre-Brion, JP B ~' 124 (1971). (1973).
(74) Durmaz, Murrell, TFS .22, 3395 (1971). (101) Palmer, Naegeli, JCP .2_2, 994 (197)).
(75) Gaydon, Kopp, JP B ~' 752 (1971). (102) Valtz, Soglasnova, ApL 1.1, 2J (197J).
(76) d'Incan, Effantin, Roux, JQSRT 11, 1215 (1971); (103) Becker, Haaks, Tatarczyk, CPL~' 564 (1974).
12, 97 (1972). (104) Brophy, Silver, Kinsey, CPL 28, 418 (1974).
(77) Julienne, Krauss, Donn, ApJ 11.Q, 65 (1971). (105) Destombes, Marliere , Rohart, Burie, Journel,
{78) Lee, Tam, Larouche, Woonton, CJP !±2, 2207 (1971). CR B _g_z§,, 275 (1974); 280, 809 (1975).
(79) Moore, Richards, PS J, 223 (1971). (106) Douglas, CJP ..2£, 318 (1974).
(80) Potter, Coltharp, Worley, JCP ~' 992 (1971). (107) Ducas, Javan, JCP 60, 1677 (1974).
(81) Murphy, JCP ~' 4852 (1971). (108) Hogan, Davis, CPL~' 555 (1974).
(82) Nanes, Robinson, JCP 2.,2, 963 (1971). (109) Lee, Tam, CP ~' 434 (1974).
(83) Remy, SpL ~' 319 (1971). (110) Mies, JMS 21, 150 (1974).
(84) Searl, Dalby, CJP .12, 2825 (1971). (111) Smith, Elmergreen, Brooks, JCP 61, 2793 {1974).
(85) Veseth, JMS ~' 228 (1971). (112) Stevens, Das, Wahl, Krauss, Neumann, JCP 61, J686
(86) de Zafra, Marshall, Metcalf, PR A J, 1557 (1971). {1974).
(87) Engleman, JQSRT 12, 1347 (1972). (113) Chu, Yoshimine, Liu, JCP 61, 5389 (1974).
{88) ter Meulen, Dymanus, ApJ 11.£, L21 (1972). (114) Crosley, Lengel, JQSRT 12, 579 (1975).
(89) Elmergreen, Smith, ApJ 1.7J!, 557 (1972). (115) Destombes, Marliere , CPL~' 532 (1975).
(90) Mizushima, PR A j, 143 (1972). (116) German, JCP 62, 2584: §.], 5252 (1975).
(91) Becker, Haaks, ZN 28 a, 249 (1973). (117) Meerts, Dymanus, CJP 21, 2123 (1975).
(92) Easson, Pryce, CJP ,,21, 518 (1973). (118) Meyer, Rosmus, JCP .£], 2356 (1975).
(93) Hinkley, Walker, Richards, PRS A JJ.!, 553 (1973). (119) Ray, Kelly, ApJ 202, L57 (1975).
(94) Klein, JQSRT 1.1, 581 (1973). (120) Smith, Stella, JCP .£], 2J95 (1975).
(95) Meerts, Dymanus, CPL £1, 45 (1973). (121) Arnold, Whiting, Sharbaugh, JCP 64, J251 (1976).
(96) Rouse, Engleman, JQSRT 1.1, 1503 (197J). (122) Maillard, Chauville, Mantz, JMS .£], 120 (1976).
(97) Roux, d'Incan, Cerny, ApJ 186, 1141 (1973). (123) ter Meulen, Meerts, van Mierlo, Dymanus, PRL J.2.,
(98) Sutherland, Anderson, JCP 2§., 1226 (1973); 1031 (19?6).
.2_2, 6690 (1973) (erratum). (124) Downey, Robinson, Smith, JCP 66, 1685 (1977) •
(99) Berkowitz, Appelman, Chupka, JCP 2§., 1950 (1973). (125) Katsumata, Lloyd, CPL~' 519 (1977).
(126) Meerts, CPL 46, 24 (1977).
o2H (continued from p. 515)i
(18) de Zafra, Marshall, Metcalf, PR A J, 1557 (1971). (29) Douglas, CJP ..if, Jl8 (1974).
(19) Elmergreen, Smith, ApJ 1-'Z§, 557 (1972). (JO) Carlone, PR A 12, 2464 (1975).
(20) Becker, Haaks, ZN 28 a, 249 (197J). (J~) Coxon, JMS ~' 1 (1975).
(21) Clyne, Coxon, Woon Fat, JMS 46, 146 (197J). (J2) Coxon, Hammersley, JMS ..2.Q, 29 (1975).
(22) German, Bergeman, Weinstock, Zare, JCP ~' 4J04 (JJ) Germa~, JCP 62, 2584; .QJ, 5252 (1975).
(197J). (34) Meerts, Dymanus, CJP ..2J, 2123 (1975).
(2J) Meerts, Dymanus, ApJ 180, L9J (197J). (35) Smith, Stella, JCP .QJ, 2395 (1975).
(24) Meerts, Dymanus, CPL£.}, 45 (197J). (36) Wilcox, Anderson, Peacher, JOSA §2, 1368 (1975).
(25) Rouse, Engleman, JQSRT ..!J, 150J (197J). (37) German, JCP 64, 4192 (1976).
(26) Weinstock, Zare, JCP ~' 4Jl9 (197J). (J8) Woods, Dixon, JCP 64, 5319 (1976).
(27) Brophy, Silver, Kinsey, CPL 28, 418 (1974). (39) Crosley, Lengel, JQSRT 11., 59 (1977).
(28) Carlone, PR A 2, 606 (1974). (40) Katsuma~a, Lloyd, CPL 12., 519 (1977).

513
 514
State Te LlJ
e
LlJ
ex e Be ae De re · Observed Transitions References
(lo- 4 cm- 1 ) (R) Design.
I voo
t6Q2.H µ = 1.78884797 D00 = 4.453 eVa I.P. = 12.9 1 eVb MAY 1977
c 2E+ (89470) (898) (10) c2. 235JC I I I
[2.053] Cd-+A, e R 56090.3 z (7)(13)*
Strong many-line spectrum 1900 - 1700 R, tentative identification. (C-+X)d (88568) (8)*
D 22:- (82160) (2074) [8.2283]f [5.179] [1. 0701 8 ] Df- X, R 8l853.22gz (29)
B 22:+ [546.9] z h [2.745]i j
[2.5o]k B-t A,! 36275.7 z (5)(6){7)*
69775 [1. 8529] R
(9)(13)*
A 2E+ 32680.a m 2316.17 z 50.433n 9.193 opqr
6 0.318 1 s [5.763]t 1.0124 Au+-+X,v R 32477.18g z (lJ)* (21)
(31)
5
x 211.l ow 2720.24 z 44.055 10.020 xr 0.275/ [5.374]z 0.96975 Hf A-doubling sp.a' (4) (2J) (34)
9
EPR sp. b' (14)
-

o2H1 aFrom ng{o 1H) assuming zero electronic isotope shift. mTe has been corrected for the effects of Y00 on the zero-
bFrom I.P.(o 1H) and the zero-point energies of OH, OD, point energy in both upper and lower state and for a small
OH+, OD+. Photoelectron spectroscopy gives 13.01 eV (40). electronic term o; due to interaction with the 2n state;
CSpin splitting constant = +0.6.no see (Jl).
dLifetimes of 6.1 and "'2 ns have been reported (35) for nweye = - 0.2350; the constants represent only v=0 ••• 3 (Jl).
the upper state of the C-+ A bands and for the 1850 R Vibrational energy levels and AG values up to v=l3 are
group, respectively. See e of o1H. listed in (13). Preliminary vibrational constants may be
eonly the 0-11 and 0-12 bands have been observed (13). found in (5).
0
fspin splitting constant ro = - 0.156. Spin splitting constants (Jl)s GO= +0.1201 [good agree-
gsee h of o1H. ment with (29)], f 1 = +0.1170' r2 = +0.1114·
hAG{3/2) = 357.9 (13). Using isotope relations (5) derives P1n low-pressure flames and discharges the intensity of
.we= 684, wexe= 55. 7 , weye= -8. 3 • emission lines originating in v'=0,1,2 decreases rapidly
1
Spin splitting constant < o. 05. r above N'=29,26,17, respectively (3), owing to predissoci-
jBl = 2.445, B2 = 1.947 (lJ). ation by 42:- (see P of o1H); substantially higher N' values
kn =4.48x10=4, D = 18.9x lo- 4 : H -12x 10 -7 , H1 in (10) correspond to the first lines of zero intensity.
1 2 0
-16 x 10-7 ( lJ). The lifetime of the v'=O rotational levels drops sharply
!Franck-Condon factors (7). above N'~34 (19)(J6). A much stronger predissociation
o2H (continued):
occurs for v=7 ••• 12 causing diffuseness in the B-+ A bands
in low pressure discharges (13)(15); asymmetric line
shapes in the 0-9 band have been studied by (28) and have
been found (JO) to contain a Q component because of mixing
with the 4 n state that causes the predissociation (15).
qµel(v=O) = 2.16 D (17), see q of o 1H. A considerably lower
value of 1.72 D was derived by (26) from Stark shifts in
the location of high-field level crossings and appears to
be favoured by ab initio calculations [for references see
(26)]. Hfs constants from high-field level crossing ex-
periments in (26) [eqQ corrected by (J8)] and (37).
rRKR potential functions (Jl).
sfe = - 0.0011 • The equilibrium constants refer to the
9
true mechanical Bv values derived by (Jl) from the effec-
tive constants (given in the same paper) for v £; J. Term
values for v ~ J (21).
t+ l.65x l0- 8 JJ(J+l)J- 6. x 10-lJJ4 (J+l) 4 (Jl); good agree-
0 (4) Dousmanis, Sanders, Townes, PR 100, 1735 (1955).
ment with D0 and H0 of (29). (Jl) gives Dv, Hv for v£:2.
uRadiative lifetimes T(v=O,N=l) = 691 ± 9 ns, y(v=l,N=l) =
712 ± 10 ns, 't"(v=2,N=l) = 736 ! lJ ns (JJ). (19)(20)(27)
(36) give somewhat longer lifetimes for low rotational
levels in v=O; Hanle effect measurements (18)(22) are
slightly lower. Oscillator strengths from high-resolution
line absorption 1 f 00 = 0. 00096 and f 10 = 0. 00026 for
the rotationless molecule (25).
vZeeman effect in the 0-0 band (12)(16), magnetic rotation
spectrum (16). Absorption and emission in solid Ne (11).
Franck-Condon factors (7)(Jl). Vibrational intensity dis-
tribution, variation of the transition moment with r,
rotational dependence of transition probabilities (39).
WAo = - 1J9.2Jo, Al= - 1J9.44o, A2 = - 1J9.644 (Jl). Ab
initio calculation of spin-orbit coupling parameters (32).
xA-type doubling parameters Po = +0.1266, q 0 = -0.010934;
additional constants for v ~ 3 (Jl) 1 ab ini tio calc. (32).
Yr, = + 0.000 6 • Term values for v~3 (21).
z e -4 8 -4
Dl = 5.JJlxlO 'D2 = 5.2 xlO ; Ha= +l.935X 0 ' 1 =
1 -8 H
8 8
+2.o6 x lo- , H2 = +2.46x lo- ; Lo= -5.2x lo-13 (31). For
5
v=O good agreement with (29).
a'A-doubling and hfs coupling constants. Dipole moment
µe 1 (v=O) = 1.6531 2 D, from Stark shifts of hf A-doubling
transitions (24); see also (17).
b'spectrum of 1 7oD; magnetic hf and electric quadrupole
coupling constants.
(1) Sastry, IJP 1.2., 95, 455 (1941); 16, 27, 169, 343 (1942);
Sastry, Rao, IJP 1.2, 27 (1941).
(2) Oura, JPSJ §, 401 (1951); LTS Q, 41 (1951).
(3) Broida, Kane, PR .§..2, 1053 (1953).
(5) Barrow, AF 11, 281 (1956).
(6) Herman, Felenbok, Herman, JPR ~' 83 (1961).
(7) Felenbok, AAp 26, 393 (1963).
(8) Felenbok, Czarny, AAp zz, 244 (1964).
(9) Czarny, Felenbok, AAp J.1, l~l (1968).
(10) Palmer, Naegeli, JMS 28, 417 (1968).
(11) Tinti, JCP 48, 1459 (1968).
(12) Thakur, Rai, Singh, JCP 48, 3389 (1968).
(13) Carlone, Dalby, CJP !±1, 1945 (1969).
(14) Carrington, Lucas, PRS A~' 567 (1970).
(15) Czarny, Felenbok, Lefebvre-Brion, JP B ~' 124 (1971).
(16) Nanes, Robinson, JCP ..2..2, 963 (1971).
(17) Searl, Dalby, CJP !±2, 2825 (1971).
(continued on p. 513)
515
 516
State w we x e Observed Transitions References
e
Design. l v 00

1601H+ Dg = 5.0
9
eVa MAY 1977
b lE+
o-
(29050) [16.32o]b [19.2]b I 1.032 (b- X) 29058.8b
28034. 04~
3n1. [22.495]f 1.1354 Ag->X h R 28028.31t (2)* n
A
{ 102+ 28438.55 2133.65 z ' { 27948.43.1
27864.31
a 18 1766oj I
X 3E- 0 3113.37 z 78.52 [19.174Jj_ 1.0289

1602H+ MAY 1977

b lE+
o-
(29050) [5.44]b l 1.030 (b- X)
28181.47
A 3n 1· 201+ 7.310 qr o.3398S [6.388]t 1.1354 Au-+X h R 28176.06 (2)* n
{ 28452.75 1558.08 z 7 ' { 28095.83
28011.57
16 v
a 1766oj B
6 = 7.2424v
x
X 3E- 0 2271.80 z 8.9116 l.0283

16QIH- O
Do = 4 .755 eV
a
I.P. = 1.8254 eV
b
MAY 1977
(28000) Absorption (A< 3500 ~) and long-lived emission (Amax~ 4000 R.)in aqueous solutions. (.3)
0 (3700)c J (l8.9)c 1 1 (0.970)
0

ng = 4.814 evd I.P. = 1.8230 eV b

J (10.02) 0
1 l (0.970)
0

= 14.76467027)
(µ APR 1975
Mostly R shaded emission bands in the region 11400 - 16400 cm- 1 • No analysis. (l)* (2)
o 1H+, o 2H+:
g(
aD O1 H ) + I. P. ( H ) - I. P • ( 0 1H ) • bations in AJil (v=l); n 6 = 4.8 x 10-4 • The v=5 level pro-
bConstants derived from the perturbations in A Jn. The b-X duces a weak perturbation in AJil(v=O).
transition is not observed. wwey e =· + o.4267"
CA-doubling constants p 0 = -0.251, q 0 = +0.0478; for v=l,2 xSpin splitting constants A0 = +2.141, 0 4 -0.0790 cm
-1

see (2). similar constants for v=l,2 ( 2).

dPerturbations by b 1 E+. Yt, + O.OOJOO.
er = + 0.017Jo· zH~ = 2.1 7 x 10-8 ; values for Dl' D2 , n3 in (2).
fHe0 -- + l0.4x lo- 8 other D, v Hv values for v~2 in (2). (1) Brzozowski, Elander, Erman, Lyyra, PS 10, 241 (1974).
gLifetime "C(v=O) = 0.89 µs (l); similar results for v=l,J.
(la)Brzozowski, Erman, Lew, CPL J1,, 267 (1975).
hVibrational intensity distribution (branching ratios),
(2) Merer, Malm, Martin, Horani, Rostas, CJP 2.l, 251
variation of the transition moment with r (J).
(1975).
iSubband origins as defined by (2). From the data for the
(J) Gerard, Govers, van de Runstraat, Marx, CPL 44, 154
OD+ AJil(v=O) level (2) estimate the true spin-orbit and
spin-spin interaction parameters A = -8J.8J cm-l and
(4) Katsumata, Lloyd, CPL !±,2, 519 (1977). -r(1976).
-1
2oc = -5.9 2 cm • o1H-, o2H-1
jFrom the photoelectron spectrum (4).
~rom D~OH) and the electron affinities of OH and o.
k Spin splitting constants for v=Oz AO ' 2.13 4 cm -1 and b 0 -
From high-resolution photodetachment . studi.es of OH and
fa 0.147 8 cm-1 ; similar results for v=l and 2. OD- (5); see also (1)(2)(4) •
.t6e = + 0.0109 • cEstimates based on the analysis of photodetachment data
7
mHo = + 12.3 x10- 8 values for D1 , D2 in (2).
9
nA rather complete list and critical assessment of earlier
dAnalogous to a. I (
1) ( 4) ( 5) •

references is given in (2). (1) Branscomb, PR 148, 11 (1966).

°From Dg(o 1H+). (2) Kay, Page, TFS 62, )081 (1966).
Pw y = + 0.368.3. (J) Merkel, Hamill, JCP ..,2i, 2174 (1971).·
e e -1 (4) Celotta, Bennett, Hall, JCP 60, 1740 (1974).
qA-doubling constants p 0 = -0.1J2, q 0 +0.0122 2 cm ;
for v=l,2,J see (2). (5) Hotop, Patterson, Lineberger, JCP 60, 1806 (1974).
rPerturbations by b 1 E+ and a 1 6.
Os01 (1) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
sre = + 0.00372.
(2) Raziunas, Macur, Katz, JCP ~' 101~ (1965).
tHo = + 2.0 2 x 10-8 other Dv' Hv values for v ~ J in (2).
uLifetime ~(v=O) = 1.06 µs (la).
vThis level at 294J4 cm- 1 is only observed through pertur-

517
 518
State wx Observed Transitions References
e e
Design. I v 00

µ = 15.4868817 D00 = 5.033 ev a I.P. = 10.53 evb MAY 1977 A

Carroll and Mitchell's Rydberg series Vn converging to F 2 L~{v=0):
2 2
.•• 4ou 56'g 2'if:ns6'g c v = 125225 - R/(n- 1.86) , n = 5(V ),6 ••• 16. Simiiar series with v'=l. (21)
5
v 5 ( ~~)
1
114085 L789] I
v51;- x' 114090 (21)
Carroll and Mitchell's Rydberg series Gn' Hn, Pn' Rn converging to A ~;(v=0)12

nfflu R/(n- 0.062- 0.633/n* 2 ) 2 , n = 4(R4 ),5 ••• 21.

••• 4~
vu256'.g 2rr4
u

l nf5

np6"u

ndS ?
g
u
np'iru
v = 87179 -
[
R/(n- 0.155+ 0.179/n* 2 ) 2 , n = 4(P4 ),5 ••• 14.

R/(n-1.660-0.252/n*),
2 2
R/(n - 1.468 - 0.475/n* } , n = 4(H), 5(H ), 6 ••• 28.
2 2

I
5
n = 4(G),5(N),6(G 6 ),7 ••• 12.
Carroll and Mitchell's Rydberg series En' Kn' Mn' Ln converging to x2
2
R/(n+ 0.04) , n = 3(L},4. I
(21)*

! nd'if
2
4"'25.,...22.,....3 g R/(n- 0.03) , n = 3(M),4(M4),5(S). Fragments of series with v'=O (v"° = 85229)
Ug ''u v ~ 85895 - (21)*
R/(n-0.12) 2 , n = J(K),4 ••• 10.
• • • VU
nd6"g and with v'>l.
[
ns6'g R/{n-1.93) 2 , n = 4{E),5(E ),6.
5
Unclassified bands 79700 - 84500 cm- 1 • (21)
83362 [551] H Observed to v'=2. U+- X, R 83248 H (21)*
81327 [723] Diffuse bands. G6 +- X, R 81299 H (9)(21)
80992 [713.1] H Observed to v'=4. T+- X, R 80958.5 H (9)(21)*
(80840) B1 = O. 2783 r 1 =1.978 S+- X, R 81453.89dZ (9) (21)
80115 [740] Broad diffuse bands. R4 +- X, 80095 (21)
(79860) [617.6] H 0-0 and 1-1 bands only. Q+- X, R 79779.5 (9) (21)
3 H
(79827) Broad band. P4 +- X, 79804 (21)
 State Te w w x Be tXe De re Observed Transitions References
e e e
(10-7cm- 1 ) (R) Design. l voo

3tp2 (continued)
M ( lI:+) (78271) (705) (5) Only v'=l and J(diffuse) observed. M ~ X, R (7823J)e (21)
4 1 u 4
H5( Ilu) (78256) Very broad band. tt +-X, 7823J (21)
5
K4 ( lnu) (77968) [732] Diffuse bands. K4 +- X, 77944 (21)
0 77475 529 H 2 O+- X, R 77349 H (21)*
N lI:+ 77286.7 [641.76] z (29.7) o.2984f 0.00504 [3.1] 1. 9099 N+- X, R 77240.23 z (9)(21)
u
L (lilu) 73593 [672.2] H L+- X, R 73539 .J H (9)(21)
1 685 H E +- X, R 73JJ7 (21)
E5( Ilu) 73385 2.7 5
M lI:+ 73168.0 684.og H 2.97 0.2802g 0.0016 1.971 M~X, R 73119.6g H (9)(21)
1 u HQ
K Ilu 72288 [ 701. 7] (5) [o.2704]hf [2.006] K+- X~ R 72253.3 z (9)(21)
Numerous diffuse irregularly spaced "lines" 69900 - 70400 cm -1 , no. assignments. (9)
H ( ln u ) (68960) Very intense diffuse band, width l'V 80 cm -1 . I I H+- x, I
68940 (9)(21)

8From the predissociation limit in C 1 I:+ which according dAssigned as 0-0 band by (9), reassigned as 1-0 band by
to (1) is equal to the dissociation li~i t 4 s + 2D. The
latest thermochemical (mass-spectrometric) value is
e~~~)b~~l::s:::::rb;fH::axM~~~:~l) Rydberg series].
5.04 eV (17) eliminating the possibility that the predis- fRKR potential functions (lO)(lJ).
socia ti on limit corresponds to 2D + 2D as suggested by ( 16). gFollowing (21) the v• numbering of (9) has been increased
bFrom the photoelectron spectrum (25) which shows partially by one unit.
resolved peaks at 10.5J and 10.55 eV corresponding to hAll lines of this system are diffuse; the diffuseness is
x1 2 rr and x 2 2n , respectively. Subtraction of the largest for v'=J and 4 such that the rotational structure
312 112
estimated doublet splitting in the X 2n ground state can no longer be recognized. The broadening is independent
["' 260 cm- 1 , see ref. (6) of P;
J from the Rydberg series of J; the state causing the predissociation is probably
limit at 85229 cm- 1 (21) gives 10.53 eV. 1
nu.
5
cCore configuration as suggested by (25) on the basis of
ab initio calculations; Carroll and Mitchell (21) proposed
-~ J
• • • Su 56'g 2'11u 2trg.

519
 520
State Te we we xe Be (Xe De re Observed Transitions References
(lo-'lcm-1 ) (i) Design. l voo

31 P1 (continued)
I ln [68849.J] [0.2541] [2.5] [2.070] I+- X, R 68459.63 z (9)
u
G l.E+ 66JlJ.J7 694.12 z 4.182 o.2973of 0.00195 [2.25] l.91J5 G+-+-X, R 66269.71 z (6)(9)*
l u
E nu 59446.21 700.66 HQ 2.92 [0.28072t [1.84] [1.9692] E~X,i R 59406.14 z (6)(9)*
B ln [358.96]j z k i,
u .50845.9 [o.2268]J [J.2] [2.191] B~A, R 1620). 71 j z (18)(23)*
2 47176.8 18721..5 z
c Jn 1 47159.1 z ).849m o.219on 0.0024 2. 5 c-+ b, 0 (1.5)(22)*
z
u 0
J9J.67 2.229 R 188~6.4 (26)(27)
471J9.2 189 4.6 z
(l)* (2)* (4)
c l.E+ 46941.26 473.93 z 2.34oP 0.242llqf o.00175r 2.57 2.1204 C+-+ X, R 46787. 97 z (9)(11)*
u
(23)*
A ln 34515.25 618.95 z J.00 0.27524 0.00168 2.2 1.9887 A~X, R J44J4.JO z
(7)* (14)
g (18)(2J)*
2 28329.6 9.574.8 z
b Jn 1 28197.0 644.66 z J.21J 9 0.2805 0.00178 2.0 1.970 b-+a, 0 v 9442.2 z (12)(20)
g 0 28068.9 9.314.1 z (22)* (26)
b' Jr;- 2850J.4t 604.4 8 z 2.2 o.25a4u 0.0014 1.7 2.052 b' -+X, R 2841.5.4 z (12)(19)*
u
a Jr;+ 18794 • .5 565.17 H 2.75 B1 =0.250JJ
v D1 =J.)x10
-7 r 1 = 2.085 (a- X) 18686.7W
3
x l.E+
g 0 780.77 z 2.8J.5X O.JOJ62f o.00149Y j 1.88 l.89J4

P2 (continued)s
iFranck-Condon factors (lJ). nPerturbations by C 1 .E~. The observation of extra lines
jThe assignment of v'=O to the lowest observed level is enables the relative position of singlet and triplet levels ·
arbitrary. to be determined (26); very similar results have been ob-
kAG(J/2) = 352.71. tained by (24)(27).
i,
B1 = 0.2209, B2 = 0.217 1 • °Franck-Condon factors (22).
mw e y e = - 0.0915 (26): slightly different constants Pweye = + 0.0066. Constants from (9), but see (27) whose de-
in (27). perturbation of the C state levels (see q) leads to Te =
P 2 (continued):
46945.5 , we = 472.81, wexe = 2.24 6 , weye = + 0.00412 2 • (1) Herzberg, AP(Leipzig) (5) 1.2, 677 (19J2).
7
qstrong vibrational perturbations for v=l,2,J,5 (1) and (2) Ashley, PR 44, 919 (19JJ).
many rotational perturbations (3)(4)(5)(9)(2)) due to ()) ~arais, PR 1.Q, 499 (1946).
interaction with levels of c 3nu; see (27). Breaking off (4) Ma~ais, Verleger, PR 80, 429 (1950).
in emission (predissociation) above J=58 of v=lO and (5) Naud~, Verleger, PR 80, 4J2 (1950).
J=J4 of v=ll; the corresponding dissociation limit is (6) Dressler, HPA 28, 563 (1955).
4s + 2D at 51959 :!: 25 cm- 1 • A second predissociation in- (7) Douglas, Rao, CJP J.Q, 565 (1958).
dicated by diffuseness in absorption begins at v=l7 and (8) Gutbier, ZN'•16 a, 268 (1961).
reaches a maximum for low J values of v=l9 (9). (9) Creutzberg, CJP 1 44, 158J (1966).
r
re = + J. 3 x lo -6 • (10) Singh, Rai, IJPAP ~' 102 (1966).
sweye< 0.001 cm- 1 (26); slightly different constants in (11) Dixit, PIASA 66, J25 (1967).
(27). (12) Mrozowski, Santaram, JOSA 2.Z·,,522 (1967).
tRecalculated; (19) give 28507.74 which probably refers (lJ) Rao, Lakshman, IJPAP ~' 617 (1970).
to data obtained from band heads rather than band origins. (14) Verma, Broida, CJP 48, 2991 (1970).
uSpin splitting constants A= +J.20, 't = -0.001. (15) Brion, Da Paz, Mongin, Guenebaut, CR B _gzg, 999 (1971).
vSpin splitting constants A1 = -J.2 1 , 01 = -0.00J (22). (16) Vaidyan, Santaram, IJPAP 2, 1022 (1971).
wNot observed; indirectly derived (26) from perturbations (17) Kordis, Gingerich, JCP 2§., 5141 (197J).
. c Jn u; see n •
in (18) Malicet, Brion, Guenebaut, CR C ll.Q, 991 (197J)·.
xw e y e = - 0.00462 (27); slightly different constants in (19) Brion, Malicet, Guenebaut, CJP ..2,g_, 214J (1974);
(4) and ( 9). ..2.J., 201 (1975) (erratum).
Yde = - 2. x lo- 6 • Constants recalculated from the data of (20) Brion, Malicet, JP B ~' Ll64 .(1975).
7
(1)(7)(9)(11). Higher Bv values not included in the re- (21) Carroll, Mitchell, PRS A J!±g, 93 (1975).
evaluation may be found in (1)(4). (22) Brion, Malicet, JP B 2, 2097 (1976).
(2J) Brion, Malicet, Guenebaut, CJP ~' J62 (1976).
(24) Brion, Malicet, Merienne-Lafore, CR C _g_§J, 171 (1976).
(25) Bulgin, Dyke, Morris, JCS FT II .z.g_, 2225 (1976).
(26) Carroll, Nulty, JP B 2, L427 (1976).
(27) Brion, Malicet, Merienne-Lafore, CJP 2.2, 68 (1977).

521
 522
State w Observed Transitions References
e
Design. l v 00

µ = 15.4867445 MAY 1977

F (2L:+) (40180)b [810]b
u
c2 2n 3;2 28870.6 c
2.58 0.00136 2.0
C -+X , R
2 1
28754.2d Z
(l)* {2)(6)*
c1 g i;2 (28686.6) c1 -+X 2 , R 28312.3d Z

B 2r:+u (25566) 3.23 0.00211 3.3 2.121 B-+A, R 23224.8 ez (l)*

9
n2 2n 1/2 (18832.5) D2 -+ x , R 18467.6 Z
462.2 2.45 0.2196 0.00142 2.0 2.226 2 (3)(6)*
D1 g 3/2 18740.7 D -+X , R 18635.8 Z
1 1
A 2r:+ (2179)f [733.o]g z 0.0021 1.893
g
x 2 2n 1/2 (26o)h
2.74 0.00151 2.0
x1 u 3/2 o

O a
(µ = lOJ.988329) D
0
= o. 8 2 eV MAY 1977 A
Emission bands in the region 12500- 11100 cm- 1 , observed in Ar and Ne matrices by excitation
(7)
with argonjkrypton ion laser lines.
I
Absorption bands in the regions 33400 - 34600 cm- 1 (preceded by continuous fluctuations from
(2)
31300 to 33300 cm- 1 ), )6800 - )8000, and .41000 - 42200 cm- 1 •
B 19490.3 161.64b H l.036c B~ X, d R 19515. 7 H (l)* (2)* (4)
A 14465.6 162.4b o.4 A+-+X,e(R) 14491.5 (2)* (4) (5)
x 0 110.)bf H 0.35

c2os > pb209 Bi (µ = 104.238661) MAY 1977

 g(
~ p 2) + I. p • ( p) - I. p • ( p 2) •
bFrom Rydberg series of P 2 (4) and observations by photo-
electron spectroscopy (5).
c Av strongly dependent on v, Av+l - Av = -4. lJ cm-l ( 6).
dVibrational numbering of (6): the previous numbering of
(1) has been increased by one unit in both upper (C) and
lower (X) state following the recommendations of (4).
eVibrational numbering uncertain: the B state has not been
observed in the photoelectron spectrum (5).
fFrom Rydberg limits of P 2 (4) and the estimated spin
splitting in the ground state of P;; in reasonable agree-
ment with the photoelectron-spectroscopic value of 22JO
cm-l (5).
gVibrational numbering uncertain.
hThe magnitude of the spin-orbit coupling in the 2n ground
and excited states has been estimated (6) from the effec-
tive B values. The photoelectron spectrum (5) suggests for
the ground state a spin splitting of "-'150 cm- 1 •
(1) Narasimham, CJP J..2, 1242 (1957).
(2) Brion, Malicet, Guenebaut, CR C ill, 471 (197)).
(J) Brion, Malicet, Guenebaut, CR C ill, 551 (1973).
(4) Carroll, Mitchell, PRS A fil, 93 (1975).
(5) Bulgin, Dyke, Morris, JCS FT II .z.?., 2225 (1976).
(6) Malicet, Brion, Guenebaut, CJP 2±, 907 (1976).
PbBi1 aThermochemical value (mass-spectrom.) (1).
aThermochemical value (mass-spectrom.) (6).
bConstants obtained by (4) from a reclassification of
bands in the blue-green and in the red system. The new
analysis of the ground state seems to be confirmed by
the observation of a lower state frequency of 111 cm- 1
in laser-excited matrix emission spectra [see (7) who
attribute the 111 cm-1 interval to a matrix-induced
splitting of the ground state]. The revised lower state
constants imply, however, a strong contradiction to the
usual rule that if w' > w" then B' > B" since according to
the published spectrograms of ( 2) the B - X bands are
strongly shaded to the red, i.e. B'< B".
cw y = + 0.0055.
d e e
Previously called A- X. Also observed in inert gas
matrices (3)(7).
ePreviously believed to have Bas its lower state.
f(4) give 119.l which seems to be a typographical or
arithmetical error since it does not represent the band
head measurements of (1).
(1) Shawhan, PR 48, 343 (1935).
(2) Weniger, JP(Paris) 28, 595 (1967).
(3) Brewer, Chang, JCP ..2£, 1728 (1972).
(4) Johnsor., Cannell, Lunacek, Broida, JCPjQ, 5723 (1972).
(5) Puri, Mohan, IJPAP 1.J., 206 (1975).
(6) Gingerich, Cocke, Miller, JCP 64, 4027 (1976).
(7) Teichman, Nixon, JMS 22_, 299 (1976).
(1) Rovner, Drowart, Drowart, TFS .2.J, 2906 (1967).
523
 524
State Te w
e w x
e e Be (Xe De re Observed Transitions References
(lo-7cm- 1 ) (i) Design. I voo

c1os>pb 19Br {µ = 57.2096813) °= (2 • 5)

D0 e Va I.P. = 7.8 evb JUL 1977
B ( 2E) 34523·7 258.2 H 0.60 Diffuse bands (prediss.) B+-X1 , v 34.549. 0 H (2)*
A (!) 152 • .5 o.4o 0 d (l){J)(6)
20884.J H A~X
1 , R 20856.8 H
2 0 207.5 H o.5oe d
xl n1;2

c1os>pb3sc1 (µ = 29.9355409) 0
DO = (3.1) eva I.P. = 7.5 5 eV
b
JUL 1977
2
B ( E) 35199° 382.1° H l.05C Diffuse bands (prediss.) B+- Xl' v 35238c H (3)*
A (!) 21865. 0 228.7 H 0.78 d A-+X 2 , (5)
R 13546.2 H
2 O.Je (1)(2)* (5)*
X2 Il3/2 8272.2 321.6 H A~X
1 , R 21827.4 H
(8)
2 0 o.88 d
xl Il1;2 J03.9 H

2.ospb•9F µ = 17.4081886 D0O= J. 64 eva I.P. = 7.5 evb JUL 1977

strong absorption continuum with maximum at fV4lOOO cm-1 ; emission
(2)
continuum with maximum at ,....., 32800 cm -l.
F (47866) [628] H F+- x , (V) 47927 H (2)
1
E (45400) (565) H E-+X 2 , v (5)
E~X ,
1 v 454JO H (2)
D (43818) [597] H D+- Xl' (V) 43863 H (2)
c J8046 594.o H 2.50 Diffuse bandsc C+- x1 , v J8089 H (2)
2r;+ 35644.4 [605.75] z 3.42 HQ 0.24810de 0.001479 1.63 1.9756 B~X , V 27420.91 z (2)* (7)* (8)
B
2
B+-+-X 1 , V 35696.79 z (2)* (8)
A ! (2E+) 22556.5 [394. 73] z 1.77 H o.20762f 0.001430 2.22 2.1597 A-+X 2 , R 14226.21 (4)
A~X , R
1 22502. 09 z (1)(2)* (8)
2 8263.5 [528 •.75] z 1.50 HQ 0.23403 0.001450
X2 Il3/2 1.78 2.0342 (X2-Xl) 8275.88
2 0 z 2.28g o.22875h 0.001473 1.83 2.0575
Xl Ill/2 [502.73]
PbBr: aSee (2) for a discussion of this value. PbCl (continued)1
bElectron impact study of PbBr 2 (4): the same authors (5a)Cordes, Gehrke, ZPC(Frankfurta. M.) 21., 281 (1966).
give 0.9 eV for the electron affinity of PbBr. (6) See ref. (4) of PbBr.
c
weye = - 0.028. (7) Singh, Singh, CS JZ., 282 (1968).
dTentative rotational analysis (5). (8) Singh, IJPAP ~' 114 (1970).
e(3) give wexe = 0.52, weye = + 0.0023. Similar con-
stants in (6). PbF1 aThermochemical value (mass-spectrom.) (6). See also (3)
(1) Morgan, PR .12,, 47 (1936). who consider the possibilities ng= 4.54, 3.57, or
(2) Wieland, Newburgh, HPA .£2,, 87 (1952). 3.22 eV.
(3) Pannetier, Deschamps, CR 261, 3109 (1965). bElectron impact appearance potential (6).
(4) Hastie, Bloom, Morrison, JCP !±1,, 1580 (1967). c(3) consider it possible that the observed C state levels
(5) Lal, Khanna, CJP 46, 1991 (1968). (v=l ••• 5) are actually higher vibrational levels of B 2 ~+
(6) Singh, IJPAP §, 384 (1968). (v=5 ••• 9).
dSpin splitting constant f = + 0.0027.
PbCl1 aSee (3) for a discussion of this value. eBreaking off in emission above v'=l (predissociation).
bFrom an electron impact study of PbCl 2 by (6) who have ffi-type doubling lw fe (v=O) = +0.6185(J+!) - 10. 2 x 10-7 ( J+l) 3.
also determined the electron affinity of PbCt, E.A. = gDetermined from head-origin calculations.
1. 0 eV. hA-type doubling 6vfe(v=O) = - o.1388(J+~).
cThe revised vibrational analysis of the B~x 1 system (1) See ref. (1) of PbBr.
by (5a) leads to the expression v = 34937.5 + (2) See ref. (2) of PbCl.
386.3(v'+l) - l.36(v'+!) 2 - 300.8(v"+l) + l.04(v"+l) 2 and (3) See ref. (2) of PbBr.
voo = 34980.2. (4) Barrow, Butler, Johns, Powell, PPS lJ., 317 (1959).
dTentative rotational analyses (4)(7). (5) Singh, IJPAP ,2, 292 (1967).
ew e y e = - 0.07. (6) Zmbov, Hastie, Margrave, TFS 64, 861 (1968).
(1) See ref. (1) of PbBr. (7) Singh, Singh, Singh, CJP 2Q, 2206 (1972).
(2) Rochester, PRS A ill, 407 (1936)r 121., 5·67 (1938). (8) Lumley, Barrow, JP B 10, 1537 (1977).
(3) See ref. (2) of PbBr.
(4) Rao, Rao, ZP 181, 58 (1964).
(5) Pannetier, Deschamps, BSCF (1965), 2933.

525
 526
State w Observed Transitions References
e
Design. I v 00

<1os>Pb'H (µ = 1.00296500) MAY 1977

c ,2~) Single weak band, not yet analyzed. C-+X, 26205 (3)(5)
B b (18030) [478.8]c Z [2.478]cd [2.604] B-+X, R 17498.7c Z (1)(3)
A (17590) (500)e (10) 0 (3.02 )e (o.05)e (2.36) (A- X) (1706o)e
2 f 5
x ( n1;2) 0 1564.1 z 29.75 4.971 0.144 [201] 1.8388

D g= ( 2 • 0 ) e Va JUL 1977
B (22:) 198.7 H 0.35 Diffuse bands (prediss.) BrX, v JJ507.l H (l)*
A (t) 142.0b H 1.50 b H (l)*
A+-+X, R 20519.4
x c2rr1;2) 160.5 H 0.25
l
JUL 1977
Fragments of two further absorption systems in the region 54800 - 57500 cm- 1 ; not fully published. (10)
G 51661 540.5 H 6 GrX, R 51570 H (10)
F .511.53 558.5 H 3 F~ X, R 51072 H (10)
E o+ 34454 454 H 7 (o.239)b (0.0014) (2.18) E+-+ X, R J4J20 H (2)* (5)
D 1 30198.7 530.5 H 2.92 0.2711Cd O.OOJl (0.28) 2.046 D+-+X, e R JOlOJ.5 H ( la) ( 2 ) * ( 5)
(14)*
c· l 24947 494 H J.O 0.248f 0.0018 (0.25) 2.14 c·~x, 24833
R H (la) (5) (10)
c o+ 2J820 532g H J.9 0.254 0.002 (0.25) 2.11 c~x, 23725
R H (la)(5)(10)
B l 2228.5 498.oh H 2.20 0.2646id 0.0026 (0.30) 2.071 Bjf-+X,k R
22173.4 H (la)(5)(14)*
o+ J, i, d Aj~x,e R 19725. (l)(J)* (5)
A 19862.6 444.J H 0.54 0.25869 0.00138 (O.JJ) 2.0946 0 H
(17)
b o-} 3 + (16454) (441) b-+X, R 16315 H (15)(16)
a 1 ( l: ) 16024. 481. 5 H 2.4.5 (0.252) (2.1 2 ) a-+X, R 15905.4 H (l.5)* (16)
9 (17)*
0 721.0 H J.54m o.3073056d 0.0019148 (0.223)1 1.921813 Microwave sp. n ( 6)
Matrix IR sp. _ _ _..._(12a) _ __
PbH1 ~rom the predissociation in B assuming dissociation at PbO (continued)1
that limit into 3p 1 + 2s.
cPerturbations in v=O (14).
b(l)(3) assumed this to be a 2 ~ state; more recently, (5)
dRKR potential functions (8).
suggested that the red system of PbH originates from a
eFranck-Condon factors (4).
4~-(i,~) upper state.
f(lO) quotes Be= 0.2491 (extrapol. from v=6,7) for 206 PbO.
cStrong perturbations; 8G(3/2 ••• 9/2) = 448.1, 438.5,
gThe vibrational numbering of (la) has been increased by 2.
432.6, 403; B1 ••• B4 (for low J values) = 2.660, 2.766,
hVibrational constants from (la); (5) give we= 493.5, wexe =
2.770, 2.646. (2) has estimated the following "deper-
2.26. Irregular vibrational intervals.
turbed" constants1 we = 535, we x e = 15, Be= 2.48, ae = 0.08,
iRotational perturbations in v=l (14).
T0 = 17520.
jLifetimes T[B(v=O,l)]= 2.5 8 µs, 'T[A(v=2)]= 3.7 µs (15).
dBreaking off (predissociation) at N'=30,24,20 for v'=3, 5
kRelative intensities (11); transition probabilities (12).
4,5, respectively (1). The v=5,N=20 level lies at about
!Constants derived from band heads with v'~ 6 (17), in good·
20610 cm- 1 above the lowest ground ~tate level.
agreement with results quoted by (10) from an unpublished
eAll constants estimated from the perturbations in B (2).
thesis by Travis (rot. anal. of v=0 ••• 3 of 206 Pb0) but
foriginally believed to be 2 ~ (l)(J), reassigned by (4)(5).
considerably smaller than earlier values (we= 451. 7, wexe
The 2n 2 component is expected at rv8000 cm-l above
=J.JJ) proposed by (1).
2n ; 3/ .
the corresponding spectrum is. .
in th e in
. f rare d and
112 mGround state levels observed to v=l5 (17).
not yet observed.
nstark effect (9), µet(v=O) = 4.64 D. Zeeman effect (13),
(1) Watson, PR 2±_, 1068 (1938). gJ(v=O) = - 0.1623.
(2) Ger8, ZP 116, 379 (1940).
(1) Bloomenthal, PR J2, 34 (19JO).
(3) Watson, Simon, PR 22, 708 (1940).
(la)Howell, PRS A 1:2.}, 683 (1936).
(4) Howell, PPS 22, 37 (1945).
(2) Yago, Barrow, PPS 22., 449 (1947).
(5) Kleman, Thesis (Stockholm, 195J).
(3) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
PbI1 asee the discussion in (1). (4) Nicholls, Fraser, Jarmain, CF J, 13 (1959).
bVibrational numbering uncertain. (5) Barrow, Deutsch, Travis, Nature 1..21, J74 (1961).
(6) T8rring, ZN 12. a, 1426 (1964).
(1) Wieland, Newburgh, HPA £2, 87 (1952).
(7) Drowart, Colin, Exsteen, TFS 61, 1376 (1965).
Pb01 aThermochemical value (mass-spectrom.) (7). From the Pb+o (8) Nair, Singh, Rai, JCP !±J., 3570 (1965).
3 (9) Hoeft, Lovas, Tiemann, Tischer, T8rring, ZN 24 a, 1222
chemiluminescence spectrum under single-collision con-
ditions (15) derive ng~ J.74 ev. (10) Barrow, in DONNSPEC (1970), p.320.
(11) Dube, Upadhya, Rai, JQSRT 10, 1191 (1970).
(1969).
bstrong perturbations make the constants for this state
somewhat uncertain. For 206 Pb0 Be= 0.2421, IXe= 0.0026 (10). (continued p. 52 9 )

527
 528
State Te we wexe Be «e De re Observed Transitions References
(lo- 8cm- 1 ) (i) Design. I voo

3t pC79>8r {µ = 22.24)6175) MAY 1977

b 14+ (11782) [(482.4)] H b-+X, v 11808.6 H (l)*
x JE-(0+) 0 [(428.4)] H

(2.oa>pb 32 5 (µ = 27.7119401) D00 = J.49 eva JUL 1977

F 47770 J?O H {?.8} I I I F+- X, R 47729.5b H (2)*
E (O+) (J4000) Unclassified bands in the region JlOO - 2750 .R ( J2200 - J640o cm -l) • E+- X, (2)*
D 1 29653.2 297.83 z l.J65 o.1016 0c 0.00064 2.447 D4-X,d 29587.4
R z (1)(3}
c I (1) 25024.4 283.95 H 1.171 c I+- x, 24952.3
R H (1)
C {O+) 23212.9 J03.93 H 1.436 C+- X, 23150.7
R H (1)
21847.4 c 2.467 B+-X,d R 21774.5 (l)* (J)
B 1 282.17 H o.856 0.09992 0.000602 H
A o+ 18853.0 260.83 z 0.36 0.09634C 0.000262 2.513 A~ X, d R 18768.9 z (l)* (3)
3
a 1 14892.9 285.9 H (0.88) 0.09267 0.000374 2.562 a+-X,d R 14821.9 z (3)
x 14+ 0 429.40 z l.30 o.11631868ec 0. 0004 35091 3.415g 2.286863 Vibration sp. h (7a)
Rotation sp. i (5)(9)

eios>pbcso>se (µ = 57.7324258) Do0 = J.O 8 eV a JUL 1977

F 45220.9 224.8 H 0.50 F+- X, 45194.5
R H (3)(4)*
D 28418.0 190.4 H o.53b D~X, 28374.4
R H (2)* (4)
c 23315.7 183.0 H 0.25 C+- X, R 23268.5 H (1)
B 21005.8 184.8 H o.43 B+- X, R 20959.4 H (1)
A 18716.8 166.9 H 0.14 A~ X, c R 18661. 5 H (1)
x 14+ 0 277.6d o.51d o.05059953e Vibration sp.g
H 0.000129931 0.70 2.402233 (7a)
Rotation sp.h (5)
PbO (continued)r
(12) Dube, CS 40, 32 (1971).
(12a)Ogden, Ricks, JCP 2.§., 1658 (1972).
(13) Honerj~ger, Tischer, ZN 28 a, 1372 (1973).
(14) Ram, Singh, Upadhya, SpL £, 515 (1973)·
(15) Oldenborg, Dickson, Zare, JMS 2§., 283 (1975).
(16) Kurylo, Braun, Abramovitz, Krauss, JRNBS A 80, 167
(17) Linton, Broida, JMS 62, J96 (1976). (1976).
PBrr (1) de Bie - Prevot, These (U. Libre de Bruxelles, 1974).
PbSr aThermochemical value (mass-spectrom.) (2a), revised (6).
There appears to be a convergence of the E~ X bands near
PbSe1
2715 R (2). If it is assumed that this limit corresponds
Dg
to 3pl + 3p 1 (3) one finds = 3.54 eY.
bObserved value. Te' we' wexe represent only v'=l,2, ••• ;
the v'=O bands are displaced by rvl2 cm-l to lower
energies owing to a perturbation.
cRKR potential functions (4).
dAlso observed as laser-excited emission in Ne, Ar, Kr,
SF 6 matrices (8). Lifetimes in solid Ar have been
measured for a (260 µs), A (0.95 µs), B (1.8 µs) (8).
eRotational constants for 208 Pb3 2s; Be values for other
isotopes and adiabatic corrections (9).
f - 5.31 x l0-7(v+~) 2 - 5. 0 x lo-9(v+~)3.
gfoe = + O.Ol3x lo- 8 •
hin Ar matrix at 12 K. (8) have also observed the Raman
spectrum of the PbS fundamental in solid argon.
i Dipole
. moment of 208 Pb J2 s, µe! ( v=O) = 3.5 D, from
9 (5) Hoeft, Manns, ZN 21 a, 1884 (1966).
Stark effect of rotation spectrum (5). A somewhat dif-
ferent value, 4.o 2 D, is given by (7). gJ = -0.06422
[Honerj~ger and Tischer, quoted in (9)].
(1) Rochester, Howell, PRS A 148, 157 (1935).
PbS (continued)i
(2) Yago, Barrow, PPS 22., 449 (1947).
(2a)Colin, Drowart, JCP Jl, 1120 (1962).
(3) Barrow, Fry, Le Bargy, PPS 81, 697 (1963).
(4) Nair, Singh, Rai, JCP .i}, 3570 (1965).
(5) Hoeft, Lovas, Tiemann, Tischer, Tarring, ZN 24 a, 1222
(6) Uy,· Drowart, TFS .§2, 3221 (1969). (1969).
(7) Murty, Curl, JMS lQ, 102 (1969).
(7a)Marino, Guerin, Nixon, JMS .21, 160 (1974). (1977).
(8) Teichman, Nixon, JMS .2!±, 78; 21_, 14 (1975); Q.2, 258
(9) Tiemann, Stieda, Torring, Hoeft, ZN lQ a, 1606 (1975) •.
aThermochemical value (6) [based on Dg(se 2 ) = 3.41.eV].
This value agrees well with Dg= J.10 eV derived from a
dissociation limit at 2870 R (4) if dissoc. into 3p 1 +3p 1
bweye = -0.004. I is assumed.
cAlso observed as laser-excited emission in Ne matrices
dAverage of (1) and (2). I (8).
eRotational constants of 208 Pb80 se; data for fourteen
other isotopic species (5).
foe = - 1.11 x lo-7.
gin Ar matrix at 12 K.
hDipole moment of 208 Pb 80se, µe!(v=O) = 3.2 8 D, from Stark
effect measurements on microwave transitions (7).
(1) Walker, Straley, Smith, PR 2J, 140 (1938).
(2) Barrow, Yago, PPS 2.§., 76 (1944).
(3) Sharma, Nature 12.Z, 663 (1946).
(4) See ref. (2) of PbS.
(6) See ref. (6) of PbS.
(7) Hoeft, Lovas, Tiemann, Torring, ZN z.j_ a, 539 (1970).
(7a)See ref. (7a) of PbS.
(8) Teichman, Nixon, JMS 21_, 14 (1975).
529
 530
State Te we wexe Be ()(e De re Observed Transitions References
(lo- 9cm-1 ) (i) Design. l voo
c2os) Pb<•3o>re {µ = 79.9610302) D00 = 2.5 eVa JUL 1977
5
G 46541. 7b 159.6 H 1.4 G+- X, 46515.J
R H (J)*
F 41658.8 176.4c H 1.0 F+-X, R 41640.9 H (J)*
D 27176.5 142.6 H 1.58 D+- X, R 27141.5 H {J)*
B 19737.8 144.9 H o.45 B~X, R 19704.3 H {1)(5)*
A 18405.5 127.08 H 0.105 A~X, d R 18363.1 H (5)*
a 14925.5 146.64 H 0.24 a+- x, R 14892.9 H (7)
x lr+ 0 211. 96 H o.43 0.03130774 9 0.00006743/ 2.7 2.594975 Microwave sp.g (8)

31pC35>Ct (µ = 16.4251442) JUL 1977 A

B 41234 786 H 27 Diffuse bandsa B~X, v 41333 H ( 1)
b l:E+ 12087 607 H (J.5) b-+-X, v 12102.l H (2)
x 3E-(O+) 0 577 H 3.5

c106,1os> Pd. = 53.447166) D00 = 0.7 eVa

2 (µ
3 APR 1975

(1o'>Pd. 27Al (µ = 21.5030940) D00 = 2. 6 0 ev a MAY 1976

(10(>) Pd. (II) B (µ = 9.9725941) 0

D0 = 3.3 7 eVa APR 1975

" 06>Pcl <n>G e (µ = 43.5341J12) 0

Do = 2.70 eVa APR 1975

(IOf>}Pd. I H = 0.99832471)
(µ APR 1975
Complex absorption spectrum 21300 - 24400 cm-1 ; strong perturbations. (1)
(A) Strong band. (A)f-X,(R) 22167 H (4)
 State x Observed Transitions References
Te Be ~ De re
U) U)
e e e
(10- cm- 1 ) (R) Design. l voo

(lof>) Pd I H (continued)
ESR sp. a
x 2r;+ 0
l l l l (J)

PbTe1 aThermochemical values of (4) and (6), corrected by (9) PCl1 aObserved in the flash photolysis of Pct •
3
for change in value of Dg(Te 2 ).
(1) Basco, Yee, CC (1967), 1146.
b(2) gives Te = 45918.o.
(2) de Bie-Pr~vot, Th~se (U. Libre de Bruxelles, 1974).
cSlightly different constants in (2).
dA different band system in the same region (Te= 16362.3, Pd 2 1 aThermochemical value (mass-spectrom.) (1)(2).
w~ = 141.4, w~x~ = 0.22 ) was reported earlier by (1) in
4 ( 1) Ackerman, Stafford, Verhaegen,_ JCP J.2, 1560 ( 1962).
absorption but not found by (5).
(2) Lin, Strauss, Kant, JCP _21, 2282 (1969).
eRotational constants for 208 Pb 1 3°Te.
f - 0. 5 6 x 10 -7( v+ 1)2 - 0. 3 x 10 -9( v+2
1)3 • PdAl1 aThermochemical value (mass-spectrom.) (1).
2 7
gDipole momentµ l(v=O) = 2.7 D from Stark effect
3 (1) Cocke, Gingerich, Chang, JCS FT I :z.g_, 268 (1976).
measurements onepure rotational transitions of 208 Pbl30Te
(10). Zeeman effect (11), gJ(v=O) = -0.0180 0 µN for PdB1 aThermochemical value (mass-spectrom.) (1).
208Pbl30Te. (1) Vander Auwera-Mahieu, Peeters, Mcintyre, Drowart,
(1) Walker, Straley, Smith, PR iJ., 140 (1938). TFS 66, 809 (1970).
(2) Sharma, Nature 12.Z, 663 (1946).
(3) Yago, Barrow, PPS ..22., 449 (1947). PdGe1 aThermochemical value (mass-spectrom.) (1).
(4) Pashinkin, Novoselova, RJIC ~' 1229 (1959). (1) Peeters, Vander Auwera-Mahieu, Drowart, ZN 26 a,
(5) Grove, Ginsburg, SA 16, 730 (1960). 327 (1971).
(6) Porter, JCP J!±, 583 (1961).
(7) Le Bargy, Barrow, PPS 82, JJ2 (1963). Pd 1H1 ain rare gas matrices at 4 K.
(8)
(9)
Tiemann, Hoeft, Schenk, ZN 24 a, 787 (1969).
Uy, Drowart, TFS .§.2, 3221 (1969).
(l)}
(3) See the corresponding ref. of Pd 2H (p. 5JJ ).
(10) Hoeft, Lovas, Tiemann, Tarring, ZN £2 a, 539 (1970). (4)
(11) Honerj~ger, Tischer, ZN Z.2. a, 1695 {1974).

531
 532
State T w wexe Be «e De re Observed Transitions References
e e
(lo- 6cm-1 ) (i) Design. l voo
1ospd2.H µ = 1. 97719645 APR 1975
(E) (2E) [2.94]a (E)~X, R 24670.48 z (1)(2)*
(D) (2E) [2.12]a (D)+- X, R23866.87 z (2)
(C) (2E) [2.57]a (C)~X, R 2J48J.42 z (2)
(B) (2E) [l.99]a (B)+- X, R 23073.43 z (2)
(A) (2E) [3.09]a (A)...-X, R 22264.06 z (2)
x 2E+ 0 1446.02 z 19.59 3.6489b 0.0812 93.oc 1. 52859 ESR sp.d (J)

c106>Pd'60 (µ = 13.89614012) n00 = 2.8 7 eva APR 1975

(I Of>) pd.(28) Si (µ = 22.1306028) 0

Do = 3.21 eva APR 1975

31p19F µ = 11. 77 55965 JUL 1977

R shaded triple heads in the region 15600 - 17900 cm -l, ten ta ti vely assigned by ( 4) to a
triplet system of PF with w" ~ 1135, probably belong to the D-7 B system of PO (0-0, 0-1,
0-2 bands). Several unassigned bands in the region 16200 - 25500 cm- 1 ( 4).
g ln [52063.6] [0.6186] [0.85] [1.5213] g-? b, v 38277. 74 z (1)
g~a, v 44544.80 z (1)
d ln 36024 [41J.19] z a o.4848 (0.0062) [2.8] d-7b, R 22444.95 z (l)*
1.718
d~a, R 28712.14 z (1)
[435.86] z
rn
B 3n2
3 l
no
29827
29686 b
29543
[435.91] z
[436.06] z c
o.4693
o.4663
o.4632d }
o.0038e 1. 7522 B-7X,
{ 29623.06
R 29481.80
29338.68
z
z
z
(l)*

b lE+ 13353.90 866.14 z 4.51 0.5725 0.0045 [0.9] b-TX, v 13363.59 z (J)*
1.5813
a 1i~~ 7090.43 858.79 z 4.438f 0.5699 0.00467 [1.0] 1.5849
x 3z- 0 846.75 z 4.489g o.5665h 0.00456 1.5897
 State Te w wx Be ~ De re Observed Transitions References
e e e
(lo- 6 cm- 1 ) CR) Design. J v.oo

31p19F+ JUL 1977

A 2z: 35434.64 619.00 z 4.62 o.5593i 0.0079 1.6 1. 5999 A-+X, R 35217.62 z (1)
x 2n oj 1053-25 z 5.05 0.6360 0.0048 o.6 1. 5003
r

Pd 2H 1 aEffective B values at N=O. All levels strongly per- PF, PF+1

turbed. Neither the vibrational numbering nor the a~G(J/2 ••• 7/2) = 416.57, 418.96, 420.98.
number of electronic states involved is know-n. bA 0 = +143.06, A1 = +142.87; see (2) who also accounts for·
bSpin splitting constant fv = -2.262-0.05l(v+~); spin-rotation interaction and for the combined effects of
slight N dependence. spin-spin interaction and perturbations by 1 n states.
cf> = -1. 0 x lo- 6 • c~G(3/2) = 437.37.
d e
In rare gas matrices at 4 K. dA-type doubling independent of J, "'0.07, 0.16, 0.25 cm-l
(1) Lagerqvist, Neuhaus, Scullman, PPS.§.], 498 (1964)~ for v=0,1,2, respectively (1).
(2) Malmberg, Scullman, Nyl6n, AF J.2., 495 (1969). eNotice that Table VIII of (1) contains a number of mis-
(3) Knight, Weltner, JMS 40, 317 (1971). prints leading to disagreement with constants in Table XI.
(4) Scullman, Dissertation (Stockholm, 1971); see fwy +··a.0147.
e e
USIP Report 71-02. gw y + 0.019.
e e
hSpin splitting constants A0 = +2.9623, 00 +0.0018.
Pd01 aThermochemical value (mass-spectrom.) (1). iSpin splitting constant r= 0.0073.
(1) Norman, Staley, Bell, JPC 68, 662 (1964); .£2, 1373 jA = +323.95°
(1965). (1) Douglas, Frackowiak, CJP 40, 832 (1962).
PdSi1 aThermochemical value (mass-spectrom.) (1). (2) Kovacs, CJP 42, 2180 (1964).
( 3) Colin, Devillers, Pr6vot, JMS 44, 2JO. ( 1972).
(1) Vander Auwera-Mahieu, Peeters, Mcintyre, Drowart, (4) Skolnik, Goodfriend, JMS 2.Q, 202 (1974).
TFS 66, 809 (1970).

533
 534
State Te w w x
e e Be ae De re Observed Transitions References
e
{lo- 4cm- 1 ) (i) Design. l voo

31p1H µ = 0.97606596 D00 = (J.02) eVa JUL 1977 A

d lil [8.47g]b [4.17] [1.427~) df- a, 62725.28 z (11)*
B Jn [7.J] [1.54] B+- X, R 69587.8 z (11)
1 0 cf- a, c
c <l> [8.602] 0.21 [5.4ljJ [1.4170] 61548.63. z (11)*
o+ [1833.78] z
o- z (98.5)e
r94Y,.61'.
A Jn. 29498d [18JJ.J9] [8.0222]f g
[5.68J]h [1.46723] Ai~X, R 294J4.28J. (l)*(J)*(4)*
l. 1 [18JJ.74] z 29316.s1J (9)(1J)
2 [18J4.J8] z 2920J.2lj
b lE+ (15160)k
a lei (766o)k [8.44J] 0.12 [4.13] [1.4302] Rotation sp • .e (14)
x 3E- 0 2365.2m 44.5m 8.5371n 0.2514 4.)6 1.42234 Rotation sp. i.. (14)

31p2H µ = 1. 8911291.ji9 D00 = (3.06) eV 0 JUL 1977

o+ z
[1357.40] 129495.66j
3
n.l. o-
29505P
[1357.14] z (50.8) 9 [4.1720]f q
[1.506]r A-+-X,
29495.37J•
A [1.4617] R (3)* (13)
1 [1357.21] z 29377.90J
2 [1357.54] z 29264.2lj
x JE- 0 1699.2m 23.om 4.4081 8 0.0928 1.16 1.4220

31p•H+ D0O ~ 3.3 6 ev a JUL 1977

A 2A (2622l)b [1398.76] z 0 d [6.28] [1. 5726] R 25770.59e z (l)*
[6.9833] A~X,
2 r of h
x Ilr [2299.60] z [8.J851Jg [4.16] [1.4J52]

a1p.tH + JUL 1977

A 2A (26259)i [1017] H [3.635]j [1. 71] [1. 5660] A~X, R
25792 HQ (2)*
2 r 26077
x nr Ok [1666] H [4.3505Jt [1.16] [1.4)14]
P 1H, P2tt s
aAdjusted theoretical value recommended by (15)r see also
(6) (8) (12).
bA-type doubling 1 twl = 0.1275 J( J+l) - o. 54 x io- 4 J 2 ( J+l) 2 •
cSequence of nearly undegraded bandsr the origins of the
1-1 and 2-2 bands are at 61554.5 and 61560.7 cm- 1 , resp ••
dA 0 = -115.71, A1 = -115.20; see (lJ) who give also centri-
fugal distortion corrections AD as well as estimated spin-
spin and second-order spin-orbit parameters.
eEstimated using isotope relations.
fForA-doubling constants see (lJ).
gB 1 = 7.549 2 • No emission has been observed from v=l of P1H,
probably owing to weak predissociation by the repulsive
5~- state arising from ground state atoms (lJ).
:1n1 = 6.54x lo-4, H0 = -1.6 x lo-8 •
1
Lifetime o.45 µs, corresponding to an absorption oscil-
lator strength of 0.0078 (7).
jSubband origins as defined by (lJ).
P 1 H+' P 2H+ I
kTheoretical predictions (6)(10)(12), for a 1 8 confirmed by
laser photoelectron spectrometry of PH- [see ref. ( J) of PH-].
1.N = 4~ 5 rotational transitions observed by the laser mag-
netic resonance method.
mConstants deduced from isotope relations (lJ).
nSpin splitting constants A. 0 =+2.212' t 0 =-0.07J 8 r
r
1.1 = +2.20 7 , 1 = -0.072 6 (lJ).
°From the value for P1H.
PA 0 = -115. 74, A1 = -115. 551 see also d
qBl = 4.0047.
r D =1. 64 0 x 10 -4 •
1 f
SSpin splitting constants Ao= +2.211, oo= -O.OJ851
Ai= +2.202' 61 = -O.OJ81 (lJ).
(1) Pearse, PRS A 1£2., J28 (19JO).
P1H, P 2H (continued)a
(2) Ishaque, Pearse, PRS A 1:..2§., 221 (1936).
(3) Ishaque, Pearse, PRS A 12.J, 265 (1939).
(4) Legay, CJP ..1§., 797 (1960).
(5) Kovacs, APH 1J., 30J (1961).
(6) Jordan, JCP 41, 1442 (1964).
(7) Fink, Welge, ZN 12. a, 1193 (1964).
(8) Cade, Huo, JCP !J:.1, 649 (1967).
(9) Horani, Rostas, Lefebvre-Brion, CJP !±j_, 3319 (1967).
(10) Cade, CJP 46, 1989 (1968).
(11) Balfour, Douglas, CJP 46, 2277 (1968).
(12) Liu, Legentil, Verhaegen, in "Selected Topics in
Molecular Physics" (ed. Clementi), p.19. Chemie GmbH
(1972).
(lJ) Rostas, Cossari;;, Bastien, CJP ..2_, 1274 (1974).
(14) Davies, Russell, Thrush, CPL J.2, 280 (1975).
(15) Meyer, Rasmus, JCP .QJ, 2356 (1975).
aFrom the predissociation in A 28(v=O). A rough extra-
polation of the A state to the dissociation limit 1D + 2s
b
°
leads to n0 ~ 3. 06 eV ( 1).
A0 = +I.JS, A1 = +0.82.
cSpin-rotation interaction constant f= 0.175. There is a
sudden breaking off in v=O above N=l2.
dB 1 = 6.558 8 • All lines originating from F1 levels of V=l
are much weaker than those arising from F 2 •
eRefers to the zero-point of the Hill-Van Vleck expression
for both upper and lower state.
Ao= +295.94 9 Al= +296.2.
gA-type doubling constants for v=Oa IPI = 0.2J, lql = 0.011.
(continued p. 537 )
535
 536
State Te w wexe Be ae De re Observed Transitions References
e
{lo- 6cm- 1 ) (.i) Design. I voo

31p1H- 0
Do = (J.29) eva I.P. = 1. 02 8 eV b JUL 1977
x 2n.1 oc [22JO]b
l l l [l.407]d

31p1171 = 24.89709JO
µ JUL 1977
lI:+

l l
b 11528.7 407.8 H 2.9 b~X, v 11541.7 H (l)*
x JI:- 0 J81.7 H 2.9

31p11t-N n0o = 6 .36 eva

µ = 9.64336165 I.P. = 11.85 eVb JUL 1977 A
A ln z c I Ad~x,e R 39688 • .52
39805.66 1103.09 7.222 0.73071 0.00663 1.29 1..5467 z (l)* (2)
x lL:+ 0 1337.24 z 6.983 o.78648.54c 0.00553641 1.091 1.490866 Microwave sp. (8)(9)
Mol. beam rf el. reson.g (7)

31p1.,.N+ n00 = 5.0 0 evh JUL 1977 A

In the photoelectron spectrum there are indications of two additional peaks at 3.9 and
5
4.8 eV (Jl900 and J9100 cm- 1 , resp.} above X 2.r:+ (12); uncertain.
5
A 2n (40JO) (l0.50)b
x 2.r:+ 0 [(1200)]b
PlH+, P 2H+ (continued)1
~Bl = 8.145 0 •
~Ao = + 1.35.
Jspin-rotation interaction constant
k
r= 0.096.
A0 = + 295.83.
J,A-type doubling constant IPI = 0.08.
(1) Narasimham, CJP ..12, 901 (1957).
(2) Narasimham, Dixit, CS.]£, 1 (1967).
P1H-1 8From ng(P 1H) and the electron affinities of PH and H.
Notice, however, that the ground 2n state of PH- can-
not dissociate into P( 4s) + H-( 1s) but must correlate
with the slightly higher limit P-(3p) +H( 2s) at 3.31 eV.
The atomic electron affinities are taken from (2).
bFrom the photodetachment spectrum (3).
cA = -212 cm- 1 [theoretical value (l)].
dFranck-Condon factor analysis of the photodetachment
spectrum (J).
(1) Walker, Richards, JCP jg_, lJll (1970).
(2) Hotop. Lineberger, JPCRD ~(3), 539 (1975).
(3) Zittel, Lineberger, JCP £2, 1236 (1976).
PI1 (1) de Bie-Pr~vot, These (U. Libre de Bruxelles, 1974).
PN, PN+,
aLatest thermochemical value (mass-spectrom.) (6). Previous
thermochemical value 7.57 eV (5). The origin of the dis-
crepancy is not clear. From ab initio calculations a value
of 6.43 eV is obtained; see (6).
bFrom the photoelectron spectrum (12).
cPotential functions {J).
dLifetime 'r(v=O) = 0.23 µs [Hanle effect measurement (11)].
eRelative transition probabilities from the fluorescence
spectrum, Franck-Condon factors (10); see also (4).
f - 6.4 0 x lo- 6 (v+~) 2 - 2.5x 10-7(v+t) 3 (9).
gµei,[D] = 2.7514- o.oo86(v+~), as corrected by (9) for im-.
proved Bv values; (eqQ)N[kHz] = -5172.8+60.7(v+~). (7)
give also magnetic hf coupling constants.
h
From D00(PN), I.P. (PN), and I.P. (P).
(1) Curry, Herzberg, Herzberg, ZP 86, J48 (19JJ).
(2) Moureu, Rosen, Wetroff, CR~' 207 (1939).
(J) Singh, Rai, IJPAP ~' 102 (1966).
(4) Smith, JP B 1, 89 (1968).
(5) Uy, Kohl, Carlson, JPC .z.g, 1611 (1968).
(6) Gingerich, JPC 1], 27J4 (1969).
(7) Raymonda, Klemperer, JCP 22, 2J2 (1971).
(8) Hoeft, Tiemann, Torring, ZN _g.z a, 703 (1972).
(9) Wyse, Manson, Gordy, JCP .21., 1106 (1972).
(10) Moeller, Silvers, CPL l2,, 78 (197J).
(11) Moeller, McKeever, Silvers, CPL J.!, J98 (1975).
(12) Wu, Fehlner, CPL.]£, 114 (1975).
537
 538
State Te w
e wexe B
e ae De re Observed Transitions References
(l0-6cm-l) (i) Design. l voo

31p100 = l0.54793811 D00 = 6.15 eVa I.P. = (8.2 ) evb

µ
3 SEP 1977
Theoretical calculations of the ground state ( 11) ( 21) ' of low-lying valence states (29)(30),
and of Rydberg states (22).
H 2i:;+ (56017)c (1391) (7) (0.780) (0.0054) (1.431) H-+B, Ry {2540l)d (20a)* (J3)*
I 2i:;+ 55458.1 1390.2 z 6.o o.7798e 0.0048 o.8 1.4316 I-+ A, 15051.1 z (24)*
I-+B, y 24842.0 (20a)* (JJ)*
I-+X, y 55536.7 {JJ)*
26. z f
E 53091 [1456.28] (15.8) 0.7583 0.0074 o.a 1.4518 E-+X, v 53215.6 z (l)* (25)*
(35)*
G 2!:+ (52412)c (1J82) (lJ) (0.780) (0.0054) (1.431) G-+A, (11999)d (31)*
G-+ B, Ry (21790)d (20a)* (33)*
G-+X, y (52484)d {JJ)*
F 2E+ (49880)c (850) (7.5) (0.6082) (0.0045) ( 1. 621) F-+ A, (9202)d
R (JJ)*
F-+B, R (1899J)d (20a)* (24)
(JJ)*
F-+X R (49688)d {JJ)*
D 2Il 48520g [1358.1] (7) o.755h 0.007 1.455 D-+B, R 17894.6d (15)(18)*
r
(J4)*
D~X, R 48589.Jd (1)(15)(18)*
(40)*
c 2E- i z i
44831. 75 779.22 5.14 0.5903 0.0056 (1.4) 1.645 C-+ X, R 44605.05 z (1)(20)(23)*
(32)*
k
c• 21':::. 43742.74 825.74 z 6.93j o.64o
5
0.0052 (1.5) 1.580 C'-+X, R 43538.85 z (5) (6) (8)*
(16)(20)
( 2 3) * . ( J2) *
A 2E+ 40406.89 1390.94
J,
z 6.911, o.7801tmn 0.00542 .l 1.0 1.4313 A-+B, YR 9790.86 z (20a)* (24)*
(31)*
A~X, o Y 40485.60 z (2)* (4)(12)
bands (16)* (36)*
 State Te w wexe Be ae De re Observed Transitions References
e

I I I
(lo- 6 cm- 1 ) (~) Design. 1
31p1E>o (continued)
I voo

B' 2n 33120.7P 759.2q 3.85q o.542oq o.oo49q [1.0] 1. 717 2 B' ~B,r R (34)*

I B'+-+X, R 32884.Jq (19)(20)(37)

(40)*

P01 aThermochemical value (mass-spectrom.) (27). The predis-
sociation in the perturbed D(v=O) level (see h) gives the
upper limit ng 6 6.161 eV.
bTheoretical value (22). (27) report an electron impact
appearance potential of 8. eV.
5
cThe G, H, I 2 E+ Rydberg states (as well as higher levels of
A 2 E+) interact with the F 2 E+ non-Rydberg state. Most of
the observed bands are strongly perturbed. The constants in
the Table are deperturbed values taken from (JJ) who give
results for P16 o and P18 o; similar constants have earlier
been reported by (20a). In addition to the strong homo-
geneous interactions a large number of local perturbations
have been described for both isotopes (20a)(24)(JJ).
dThe v 00 values have been calculated from deperturbed con-
stants and should not be expected to coincide precisely
with observed transitions.
eRotational perturbations in v=0,1,2 (24).
fPerturbations by C' 2 6.
gA 0 = +26.2, A1 = +22.8. All constants given for D 2 n (v=O,l)
are deperturbed values from (40); see also (34). This state
interacts strongly with high vibrational levels of B' 2 n.
For v=2 and 3 only fragments have been observed in absorp-
tion (40) making the deperturbation results for these
levels even less reliable.
hThe highest level observed in emission from the interacting
pair D(v=O)t'\JB'(v=24?) is the N=J4 level [predominantly
D(v=O)] lying at 49647 cm- 1 above X 2 n~(v=O,J=t); see (15).
Higher levels are predissociated and give rise to diffuse ·
lines in the absorption spectrum. A summary of predissoci-
ation phenomena observed in B' and D levels is given by
(40) who suggest that the predissociation is caused by the
repulsive part of the 4 n state arising from 4 s + Jp.
i 16 18 . .
Vibrational numbering confirmed by P O - P O isotope
shifts ( 32) •
j(J5) suggest that an additional term, weye~+o.o4o, is
needed in order to account for higher vibrational levels
(v=l4 ••• 18) found in perturbations of E 2 6(v=O,l,2).
ksmall spin doubling, r~ 0.0085 (J2); local perturbations.
LAverage of values obtained by (2)(31)(36). Above V=J the
influence of the F 2 E+ state becomes noticeable.
mSpin splitting constant r=+0.0013 (Jl). Many rotational
perturbations (26)(31)(36).
nPotential curves (7).
°Franck-Condon factors (10).
PAV increases from -lJ.J for v=O to about +JO for v=2J ••• 26
(19)(34)(40); theoretical explanation (29).
qThese are the constants of (Jl) based on the rotational
(continued p. 540 )

539
 540
State Te w wexe Be ae De re Observed Transitions References
e
(lo- 6cm-1 ) (i) Design. l voo

31p16Q (continued)
b 4E- {J48J7) s (889. )s (6.62)s (0.644)s (o.oo6)s (1.575)
0
B 2E+ J07J0.88 1164.51 z 1J.46t o.746Jun o.oo88v 1.25 l.46J4 B+4-X, VR J0694. 74 z (l)* (4)(9)*
f3 bands (14)(16)*
(28) {37)* w
x 2n
r
ox 123J.J4 z 6.56 o.7337Yn 0.0055 l.J 1.4759

31p16Q+ Do0 = (8.41) eVa JUL 1977

l l
A 499JO 1017 H 8 A-+-X, R 49735 H (1)
lE+
x 0 1405 H (5) J
31p160- 0
Do = 5.78 eVa I.P. = 1. 09 2 eV b JUL 1977
SCF calculations (1).
a 111 4470 [102o]b
x Jr;- 0 [1ooo]b
J J J 1.540 c

2.1opo 2. µ = 104.991442 0
DO = (1. 90) eva JUL 1977
o .4417 I
A
x
25149.3
0
108.532
155.715
H
H
b
0.3353 l j J
A-+-X, R 25125.7 H (1)

PO (continued) 1
analysis of V=O and 1 (19) and on the identification of
several intermediate levels (v=6 and 12 ••• 22) in pertur-
bations with B 2 r.:+ (37) and A 2E+ (31). Higher vibrational
levels {v=23 ••• 26, formerly n• 2 n) are observed in the
region of strong interaction with the Rydberg D 2n state
(J4)(40). The vibrational numbering chosen by (19) and
used in this Table is arbitrary and may have to be in-
creased by 2 as suggested by ( 41) whose re-analysis of the.
B'-X system includes a large number of absorption bands
previously attributed to OPCl (39) as well as a number of
emission bands left unassigned by (20) and (J7).
r The B • ~ B bands originate from highly excited levels with
v• ~24 which are strongly mixed with low vibrational levels
of D 2n.
PO (continued):
sConstants derived from perturbations in B 2E+ and A 2E+
(37), corrected for the new vibrational numbering of (36).
t
weye = - 0.05.
uSpin splitting constant Q= -0.0068. Extensive rotational
perturbations in v=6,7 by levels of B' 2n and b 4 E-; see
(37). The V=7 level appears to be preferentially populated
in the P4 + 0 glow (20).
vde = -0.00006.
wPapers by (3)(13)(17) contain erroneous branch identifi-
cations; see (18)(28).
x Av=22 4 .03+0.18v-o.013v 2 (v611) (37); see also (38).
Similar results in (32).
YA-type doubling 6v f( 2 n~) = -0.0070(J+~).
e 2
PO (continued)a
(19) Verma, CJP 48, 2J91 (1970).
(20) Verma, Broida, CJP 48, 2991 (1970).
(20a)Verma, Dixit, Jois, Nagaraj, Singhal, CJP !±2., 3180
(21) Mulliken, Liu, JACS .2J., 6738 (1971). j (1971).
(22) ,Ackermann, Lefebvre-Brion, Roche, CJP iQ, 692 (1972).
(23) Coquart, Couet, Guenebaut, Larzilliere, Ngo, CJP .2Q,
1014 (1972).
(24) Guha, Jois, Verma, CJP iQ, 1579 (1972).
(25) Coquart, Larzilliere, Ngo, CJP iQ, 2945 (1972).
(26) Coquart, Prudhomme, CR B £Z..2, 383 (1972).
(27) Drowart, Myers, Szwarc, Vander Auwera-Mahieu, Uy,
JCS FT II 68, 1749 (1972).
(28) Rai, Rai, Upadhya, JP B 2, 10)8 (1972).

(1) Dressler, HPA 28, 563 (1955). (29) Roche, Lefebvre-Brion, JCP ..22, 1914 (1973).
(2) Rao, CJP J§., 1526 (1958). (JO) Tseng, Grein, JCP ..22, 6563 (1973).
(3) Singh, CJP Jl, 136 (1959). (31) Verma, Jois, CJP 21, 322 (1973).
(4) Norrish, Oldershaw, PRS A 262, 10 (1961). {J2) Prudhomme, Larzilliere, Couet, CJP 21, 2464 (197J).
(5) Santaram, Rao, ZP 168, 553 (1962); IJP Jl, 14 (1963). (JJ) Ngo, Da Paz, Coquart, Couet, CJP ~' 154 (1974).
(6) Narasimham, Dixit, Sethuraman, PIASA 62, Jl4 (1965). (J4) Coquart, Da Paz, Prudhomme, CJP ~' 177 (1974).
(7) Singh, Rai, JPC £2_, J461 (1965). (35) Prudhomme, Coquart, CJP ..,2g_, 2150 (1974).
(8) Guenebaut, Couet, Coquart, JCPPB 2.J., 969 (1966). (36) Coquart, Da Paz, Prudhomme, CJP 2.J., 377 (1975).
(9) Meinel, Krauss, ZN 21 a, 1520, 1878 (1966). (37) Verma, Singhal, CJP 2.J., 411 (1975).
(10) Sankaranarayanan, IJP 40, 678 (1966). (38) Zaidi, Verma, CJP 2.J., 420 (1975).
(11) Boyd, Lipscomb, JCP 46, 910 (1967). (39) Verma, Nagaraj, JMS 2§., JOl (1975).
(12) Coquart, Couet, Ngo, Guenebaut, JCPPB 64, 1197 (1967). (40) Ghosh, Nagaraj, Verma, CJP ..2!±, 695 (1976).
(13) Mohanty, Upadhya, Singh, Singh, JMS 24, 19 (1967). (41) Cornet, Dubois, Houbrechts, JP B 10, L415 (1977).
(14) Couet, Ngo, Coquart, Guenebaut, JCPPB .22, 217 (1968).
(15) Couet, Coquart, Ngo, Guenebaut, JCPPB .22, 1241 (1968).
(16) Dixit, Narasimham, PIASA 68, 1 (1968).
(17) Mohanty, Rai, Upadhya, PIAS A 68, 165 (1968).
(18) Verma, Dixit, CJP 46, 2079 (1968).

541
 542
System ve w• w~x~ W" w~x; Remarks De grad. voo References
e e

flf.tpr•6Q µ = 14.36436661 n 0O = 7.7 4 ev a I.P. = 4.9 0 eV b JUL 1977 A

The following classifications and analyses are by (8). Most of the bands are observed in emission and absorption.
XXII R 18961.2 H (8)
XXI 18703.6 786.4 H 4.07 834.o H 2.56 Different analysis R 18679.5 H (1)(2)* (8)
by (1).
xx 17886.5 785.4 H 2.93 832.2 H 2.01 R 17863.0 H (2)* (8)
XIX 17588.o 791.8 H 4.oo 833.1 H 3.05 R 17567.1 H (2)* (8)
XVIII R 17345.8 H (2)* (8)
XVII 16631.4 790.0 H 4.49 831.9 H 1.75 R 16609.6 H (2)* (8)
XVI 15464.6 785.9 H 2.70 830.7 H 2.00 R 15442.0 H (2)* (8)
xv 14461 [786.1] H [830.9] H R 14438.5 H (2)* (8)
XIV 14436 [730.0] H 835.8 H 2.4 R 14384.o H (2)* (8)
XIII 14112.8 789.6 H 2.76 835.0 H 2.25 R 14090.1 H (8)
XII 14045 [754.o] H [830.8] H R 14006.l H (8)
XI 13678 [788.o] H [829.4] H R 13656.9 H (2)* (8)
x 13079 [754.4] H 835.8 H 2.35 Single P, Q, R bran- R 13038.62 z (2)* (8)
ches; rot. analysis.c
IXd 12756.0 745.0 H 2.27 835.1 H 1.92 R 12710.8 H (2)* (8)
VIII 11971 [733.5] H [831. o] H R 11922.0 H (8)
VIId 11815.8 [741.03] z 2.16 H [831.78] z 2.22 H Single P, Q, R bran-I
ches; rot. analysis.c
R 11770.33 z (2)* (7)* (8)

VI 11150 [754.o] H 836.4 H 2.45 11109.3

R H (8)
v 11021 [742] H [830.7] H 10976.2
R H (8)
IV 10482 [740.2] H [829.6] H R 104-37.6 H (8)
III 10240.2 764.5 H 2.60 835.8 H 3.25 R 10204.7 H (8)
II 10048 [728.l] H [831.2] H R 9996.0 H (8)
I 9281 [735.3] H [830.5] H R 9233.0 H (8)
From the IR spectrum of PrO in an Ar matrixa 6G(t) = 817.1 for Pr o, and 775.4 for Pr18 o.
16 (9)
PrOr aThermochemical value (mass-spectrom.)(3)(4), recalculated (1) Watson, PR 2}, 639 (1938).
(5)(6). (2) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
bcorrected electron impact appearance potential (10). (3) Walsh, Dever, White, JPC £2, 1410 (1961).
cRotational constants obtained by (8)1 (4) Ames, Walsh, White, JPC .z!, 2707 (1967).
system x1 B0 0.3459, D0 3.1x 10-7, r 0 1.842; (5) Smoes, Coppens, Bergman, Drowart, TFS £2, 682 (1969).
B0 : : 0.3620, DC) 2.4xlo-7, r 0 1.801. (6) Bergman, Coppens, Drowart, Smoes, TFS 66, 800 (1970).
System VII1 Bi 0.)418, Di 2.4xl0-7; (7) Venkitachalam, Krishnamurty, Narasimham, PIAS A J.2..,
BO 0 • 3414, DO 1. 1 x 10 -7 , 113 (1972).
Bi 0.3595, Di 2.6 x 10-7: (8) Shenyavskaya, Egorova, Lupanov, JMS !±1," 355 (1973).
BC) 0.3610, D() 2.6xl0-7, r 0 = 1.80.3; (9) Gabelnick, Reedy, Chasanov, JCP 60, 1167 (1974).
(B,D in cm- 1 , r in~). The upper state of system VII is (10) Ackermann, Rauh, Thorn, JCP £2, 1027 (1976).
perturbed. Different rotational constants and band origins
have been obtained by (7).
d(7) suggest that systems VII and IX form the two com-
ponents of a doublet system.

~ o0<PO ) + r. p. ( p) - I • p. (PO ) • Po 2 r aExtrapolation of the lower state vibrational levels.

b
(1) Dressler, HPA 28, 56.3 (1955). weye = - 0.0003226.
(1) Charles, Timma, Hunt, Fish, JOSA !±1, 291 (1957).
~rom n 0~PO) and the electron affinities of PO and o.
bFrom the laser photoelectron spectrum of PO- (2).
cFranck-Condon factor analysis of the PO- photodetachment
peaks ( 2).
(1) Boyd, Lipscomb, JCP 46, 910 (1967).
(2) Zittel, Lineberger, JCP £2, 1236 (1976).

543
 544
State Te w
e wexe Be «e De re Observed Transitions References
(lo-7cm-1 ) (i) Design. l voo
1+1pr<31>5 {µ = 26.0592154) D00 = 5.2 1 eVa APR 1975
3•p32s µ = 15.7325008 n0O= 4 .54 ev a JUL 1977
c 2.E 34686.5 5J4.8 HQ 3.31 0.26442 b
0.00196 2.5 2.013 0 C-+X, J4263.5 HQ
R 34584.J (1)(2) (J)*
(4)*
B 2n 22987.7 .512.2 H 2.15 B-+X, 22553.7 H
R 22780.8 (2) (3)*
22894.o
x 2n
r
320.8c
0 739.1 HQ 2.96 to.0.29632
29674j [2.0] [1.9009]

a1p31s + JUL 1977

A ( l.E)
l
40617.5 607.5 H 4 • .5 A"""X, R 40498.7 H (1)(2)
x lI:+ 0 844.6 H 3.3 I I
3•pceo)se (µ = 22.3222031) D00 = J.7 3 eVa JUL 1977

09lf., 19s> Pt 97.231234)

2 (µ = AUG 1976
218.4a A+- X, a
A
x
Pt (II) B
(l9S)
0
0.9
1 I I 11248.7 (1)

(µ = 10.4208585) n 00 = 4.9 1 eVa MAY 1975

19spp2c µ = 11. 30422952 og = 6.28 eVa MAY 197.5
B l.E(+) be o.468° 0.006
(.32779) [843.8] H 7 1.785 B~ X, R 32676.8 H (3)* (5)(6)*
A ln 18627.01 818.74 z 5.44 o.4ao23d 0.00411 6.7 1.76219 A+- X, R 18510. 67 z (1)(3)* (6)
A' ln 13262.8 (906.93] z 5.6 H o.50584e 0.00390 6.2of 1.71700 A'~X, R 13196.14 z (2)(5)(6)
A" l.E(+) 12697.16 943.40 z 5.28 0.50957 0.003705 6.o4g 1.71071 A"~X, R 12643.19 z (.5)(6)*
x l.E( +) 0 1051.13 z 4.86 0.53044 0.003273 5.46h 1.67672
 State Te w w x Be e De re Observed Transitions References
e e e
(10- cm- 1 ) <R) Design. voo

31 pC13o>Te (µ = 25.0104736) DO
0
= 3.0 eVa JUL 1977
5

PrS1 aThermochemical value (1), recalculated (2). PtB1 aThermochemical value (mass-spectrom.)(l).
(1) Cater, Holler, Fries, quoted in ref. (5) of Pro. (1) Mcintyre, Vander Auwera-Mahieu, Drowart, TFS 64, 3006
(2) See ref. (6) of Pro. (1968).

PS, PS+1 PtC1 aThermochemical value (mass-spectrom.) (4)(7).

aThermochemical value (mass-spectrom.) (5). b6G(3/2) ~ 808.9.
bSpin doubling constant ( = 0.015 2 • cB 1 E is strongly perturbed.
c
A0 = +321.93' from the rotational analysis of the C~X
dA-type doubling 6v f(v=O) +o.64x l0-4 J(J+l).
e · e 4
1-0 and 2-0 bands (4). A-type doubling 6v f(v=O) = +2.18 x 10- J( J+l).
f -13 e
H0 = +7. 0 x 10 •
(1) Dressler, Miescher, PPS A 68, 542 (1955). gf3e +o.o6x 10-7; H0 = +5.4x lo-1 3, H = + 6.6x lo- 1 3.
1
(2)
(3)
Dressler, HPA 28, 563 (1955).
Narasimham, Subramanian, JMS ..£2., 294 (1969).
hfae c +o.03x io-7; H0 ••• H2 (10- 1 3cm- 1 )= +8.6, +9.9, +8.

(4) Narasimham, Balasubramanian, JMS 12, 371 (1971). (1) Neuhaus, Scullman, Yttermo, ZN 20 a, 162 (1965).
(5) Drowart, Myers, Szwarc, Vander Auwera-Mahieu, Uy, (2) Appelblad, Barrow, Scullman, PPS .21, 260 (1967).
HTS j, 482 (197J). (3) Scullman, Yttermo, AF .lJ, 2Jl (1967).
(4) Vander Auwera-Mahieu, Drowart, CPL 1, 311 (1967).
PSe1 ~hermochemical value (mass-spectrom.)(l), based on (5) Scullman, Dissertation (Stockholm, 1971); see USIP
D00(se 2 ) = 3.2 ev. Report 71-02.
9
(1) See ref. (5) of PS. (6) Appelblad, Nilsson, Scullman, PS 1, 65 (197J).
(7) Gingerich, CPL~' 270 (1973).
Pt 2 1 ain Ar matrix at 12 K; not observed in the gas phase.
PTe: aThermochemical value (mass-spectrom.)(l), based on
(1) Jansson, Scullman, JMS 61, 299 (1976). D00(Te 2 ) = 2.68 eV.
(1) See ref. (5) of PS.

545
 546
State Te w
e w x
e e Be «e De re Observ'ed Transl tions References
(lo- 4cm- 1 ) (i) Design. _l voo
(19s>pt 1H (µ = 1. 00264229) 0
DO 6i 3 .44 0 eVa MAY 1975
IV (2r:)b [2051] H 8.03 o.4o [4.4]c 1.447 IV+- III, R 36504 H (6)
III (2l:)b [9.51] [3.7] [1.330]
II c2r:)b [5.22] [4.1] [1. 795] II~ I, R 30311 H (6)
I (2l:)b [7.13] [2.8] [1.536]
B ( 2b.)5/2 (26962) [1548.18]d z (80) 9 6.003fg 0.301 [3.15]h 1.6736 B~X
1, R 26613.91 dz (1) (3)·* (4)
(5)
B' (~~)7/2 (24218) [1428.?]d z (74) 5.758 o.326i [3.6]j 1. 7088 B' -+X
1, R 23806 .48d z (5)*
169o. 6 d z 55.3k [5.534],t m [3.55]n [1.743 0 ] 21960.59d z (1)(2)(3)*
A ( D.) 5/2 ( 22311) A~X
1, R (5)
A' ( 2b.) x +(19938) [1500.08]d z (58) 6.1103° 0.2869· [4.71 JP 1. 6587 9 A'<l-+X
2, R 19610.82dz (5)*
312 2 7
x2 (26)3/2 X2q [2177.31]d z (43) 7.2784° 0.2029 [2.s34 Y 1. .51987
x 1 (2b).5/2 Os [2294.68]d z (46) 7.1963 0.1996 [2.613Jt 1. 52852

c1qs>pt2..H (µ = 1. 99350810) 0
DO ~ 3 • .59 eVa MAY 197.5
2 1211.8 b z 3.039Cd 0.111 o. 77e 26703.6b z (l)* (2)*
B C/) .5/2 (26947) b
40.3 1.6681 B~ X, R
A ( /') .5/2 (22287) 1198.5 z 26.5f 2.9J_5C 0.109 o.76g 1.6974 A+- X, R 22040.5b z (1)(2)
x ( b.)5/2 0 [1644.3]b z (23) 3.640 a.on o.66 1.5242

Pt 1Hs aFrom the predissociation in v=O of B ( 2 D.) , assuming Pt 1 H (continued)r

512
that xl is the ground state. f Perturbations in both v=O and v=l.
bPreliminary data only. gPredissocia ti on above v=O, J = 12. 5, see ( 5).
c D = 4 .9 x 10 -4 •
1 h. D = 3. 94 x 10 -4 •
dBand origins in the tables for Pt1H and Pt 2H correspond 1
1
Perturbation in v=l at J ~ 6. 5, see ( 6).
to the energy of J'=O relative to J"=O. Vibrational j -4
D1 = 3. 5 x 10 •
constants recalculated accordingly. k
IJJeYe = - 3.88 (v=O, ••• , 3).
eFrom the corresponding value for Pt 2H. .t!l-type doubling; for details see (3)(5)(7).
 aFrom the predissociation in v=2 of B ( 2 ~)
Pt 1H (continued)1
512, assu-
ming that X is the ground state. From the value for
m
B1 , B2 , B = 5.244, 4.924, 4.517 (v=J perturbed for
J ~ 10.5).
3 Pt 1 H1 Dg ~ J.48 2 eV.
nD l' D , DJ ( 10 -4 cm -1) = J.68, 4.42, 8.8. bsee footnote d of Pt 1H.
0
2 cPerturbations.
0-type doubling; see (5).
PD 6. 08 x lo-4 • dAll lines of the 2-0 band are diffuse.
1 e13e ~ + 0.10 x io-4 •
qx ~ 1320; see (5).
2
rD = 2.84x lo-4 • fweye = - 1.5 (v=O, ••• , J).
1 g/3e ~ + o.06x10- 4 •
sNot certain that this is the ground state.
tD 1 = 2. 607 x 10 -4 • (1) See ref. (6) of Pt 1 H.
(2) See ref. (7) of Pt 1 H.
(1) Loginov, OS(Engl. Transl.) 16, 220 (1964).
(2) Neuhaus, Scullman, ZN 12. a, 659 (1964).
(J) Scullman, AF 28, 255 (1964).
(4) Loginov, OS(Engl. Transl.) 20, 88 (1966).
(5) Kaving, Scullman, CJP ~' 2264 (1971).
(6) Scullman, Dissertation (Stockholm, 1971); see
USIP Report 71-02.
(7) Kaving, Scullman, PS 2, JJ (1974).

547
 548
State Te w wexe Be «e De re Observed Transitions References
e
(lo-7cm- 1 ) (i) Design. l voo

19sp-1:•6Q µ = 14.78218442 0
D0 = 3.8 2 eVa JAN 1976 A
D lE (24863) [567.1] z b
[0.33671] b [5.19]C D-+ X, 24722.11 z
[1.84035] R (5)*
A lE 16995.12 727.07 z 5.42 0.35385 0.00291 3.27c 1.79523 A-+X, R 16932. 99 z (1)(2)(4)*
(X) 1 E 0 851.11 z 4.98 0.38224 0.00283 c
3.05 l.72726

(i9s) P! (u> Si (µ = 24.4661075} D00 = 5.1 eVa MAY 1975

5
(195) Pt. 2.UTh (µ = 105.946025) D0O= 5.7 eV a MAY 1975

(2.lf.4) Pu r9 F
(µ = 17.6263383) D00 = 5. 4 6 eV a MAY 1975

<11">Ra<35>Cl (µ = J0.28)6142) JUL 1977

c 2n 15386.5 252.9 H 0.72 C-7 X, R 15384.8 H (1)
14782.1 253.8 H 0.71 14780.9
x 2z: 0 256.2 H 0.71

css> Rb 2. (µ = 42.4558995) n00 = o.49 eva 3.44< I.P.(eV)b~ 3.95 JUL 1977 A
Unidentified features in the absorption spectrum of rubidium vapour at 37270 and 40590 cm- 1 • (9)

D
c ln
u
22777.5
20835.1
40.42
36.46
H o. 0745C
H 0.124
I
Diffuse absorption bands corresponding to van der Waals molecules.

Predissociatione
Dd+- x, R
cd~x,f R
I 22769.1
20824.7
H
H
(4)
(3)
(3)
"Quasicontinuous" emission 16400 - 18500 cm- 1 • (14)
B ln u B~X,g R

A ( 1 E+)
14662.6 48.05 H 0.191
I -1
Unresolved band system 9200 - 12500 cm • h
14657.9 H (2)

u A<E-+X (12)(13)(20)
x lz:+
g

(ss>Rbz+
0 57.31 H 0.105
l Mol. beam magn. reson. i

DO~
,_ O. 7 2 eV b JUL 1977
0
x 2z:+
g 0
l J J(J. 94) j
Pt01 aThermochemical value (mass-spectrom.)(J). Rb 2 , Rb 2+ (continued)s
bLevels with v > 0 are perturbed.
(6 25%) of C 1 nu correlates with the 5p 2P state of Rb
c Also higher order constants. 312
(14)(17); see also (16) whose observations of the diffuse
(1) Feast, PPS A £1, 549 (1950). and sharp series of Rb in two-photon ionization of rubidium
(2) Raziunas, Macur, Katz, JCP !±], 1010 (1965). vapour through intermediate continuum states of Rb 2 include
(3) Norman, Staley, Bell, JPC 11, 3686 (1967); only transitions from the 2P / 2 component.
3
AdC No. 72, 101 (1968). fPolarization studies of the fluorescence spectrum (17)(19)
(4) Nilsson, Scullman, Mehendale, JMS J2, 177 (1970). confirm its composition of P and R as well as Q lines,
(5) Scullman, Sassenberg, Nilsson, CJP 2], 1991 (1975). contrary to the conclusions of (14) that it consists of Q
line progressions only.
PtSi1 8Thermochemical value (mass-spectrom.)(l). gMagnetic rotation spectrum (2). The B-+X (and A~X) emis-
(1) Vander Auwera-Mahieu, Peeters, Mcintyre, Drowart, sion observed by (14) is attributed to atomic recombination
TFS 66, 809 (1970). of Rb(5 2P) and Rb(5 2s), the former formed in the predis-
sociation of Rb 2 C 1 n •
PtTh1 ~hermochemical value (mass-spectrom.)(l). h u
Interference by the a 3nu state may be responsible for ir-
(1) Gingerich, CPL £:2., 270 (1973). regularities in the spectrum at 9900 cm-1 (20).
. 85 85
~gJ( Rb 2 ) = 0.00953 µN (6); eqQ( Rb)= -1.10 MHz (5).
PuF1 8Thermochemical value (mass-spectrom.)(l). JRough estimate based on the analysis of charge exchange
(1) Kent, JACS .2Q, 5657 (1968). cross sections (10). Theoretical calculations predict
re= 4.45 R (15).
RaCt1 (1) Lagerqvist, AF~' 141 (1953).
(1) Lawrence, Edlefsen, PR .J!±, 233 (1929).
Rb 2 , Rb 2+ : (2) Kusch, PR~' 218 (19J6).
(3) Tsi-Ze, San-Tsiang, PR ,ig, 91 (1937).
aSpectroscopic value (3), extrapolation of vibrational
(4) Tsi-Ze, Shang-Yi, JP(Paris) 2, 169 (1938).
levels in X, C, D.
(5) Logan, Cote, Kusch, PR 86, 280 (1952).
bAssociative photoionization of rubidium vapour by atomic
(6) Brooks, Anderson, Ramsey, PRL 10, 441 (196J); PR A .l.1§.,
line absorption (1)(7)(8).
(7) Lee, Mahan, JCP 42, 2893 (1965). j 62, (1964) •·
cw y = - 0.00144.
d e e (8) Hudson, JCP !±], 1790 (1965).
Lifetime measurements by (11) vary from 61 ns to 14 ns,
(9) Creek, Marr, JQSRT §, 1431 (1968).
the former attributed to the D state, the latter to
(10) Olson, PR 1§1, 153 (1969).
C 1 nu. The two states have also been observed in two-
(11) Baumgartner, Demtr8der, Stock, ZP ~' 462 (1970).
photon ionization of Rb 2 (18).
eThe state responsible for the partial predissociation (continued p. 551 )

549
 550
State w Observed Transitions References
e
Design. l v 00

<s 5>Rb1+-0Ar (µ = 27.173.5746) D~ = (0.00.54) eva JUL 1977

Green emission "bands" near the Rb 6s-.5s and 4d-5s forbidden transitions (8)a similar
features observed in absorption ( 2). ,,
2E+

l
B Potential curves for all four states have been constructed from studies of the far-wing
A
2 emission spectra of the Rb resonance lines (4)(.5). Near-wing intensities have been measured
/IJ/2
A rr1;2 by (7). Only the A 2 n curves have distinct potential wells with ne~JJO cm- 1 and r 0 ~J.J.5 R.
x 2E+ 0 l b l l (5.2)a

as Rb;9Br µ = 40.9027174 Doo = J-9o eV

a
I.P. = 7.7.5 eV
b
JUL 1977
Absorption continua with maxima at J.5700, J8800, 46700 cm-l.c (1)(2)(7)
A Diffuse absorption (fluctuation) bands 26600- J2100 cm- 1 ; the chemi- Ad~X (2)(10)
luminescence spectrum consists of a long lower-state vibrational
progression 19000 - 2.5000 cm -l.
0 169.46e 0.46Je 10.04752798 O.OOOl8596f l 1.4959 l
2.94474 4 Microwave sp.g (J)(6)(14)

css>RbC79>Br + JUL 1977

I
(116200).
(D) 114400
111800
t
Ionization from the metal 4p shell.j
(109700)
(C)
106700 i
(104JOO)
J6JO i
A (i)
x <i,!) 0 i } Ionization from the halogen 4p shell.
Rb 2 , Rb 2+ (continued)s
(12) Sorokin, Lankard, JCP _22, 3810 (1971).
(13) Kostin, Khodovoi, BASPS lZ (10), 69 (1973).
(14) Brom, Broida, JCP 61, 982 (1974).
(15) Bellomonte, Cavaliere, Ferrante, JCP 61, 3225
(1974).
(16) Collins, Curry, Johnson, Mirza, Chellehmalzadeh,
Anderson, PR A 14, 1662 (1976).
(17) Feldman, Zare, CP 12, 415 (1976).
(18) Granneman, Klewer, Nygaard, Van der Wiel, JP B 2,
(19) Tam, Happer, JCP 64, 4J37 (1976). I865, (1976).
(20) Drummond, Schlie, JCP .22, 2116 (1976).
RbArs aSee (1) (3).
b
r
An average value - = J. 5 x 10 -6 cm -1 for the spin-rotation
interaction constant has been derived from relaxation
measurements on optically polarized Rb atoms in Ar (6).
(1) Baylis, JCP ..,21, 2665 (1969).
(2) Bes-ombes, Granier, Granier, OC _!, 161 (1969).
(J) Nikiforov, Shcherba, OS(Engl. Transl.) .:g, 567 (1972).
(4) Drummond, Gallagher, JCP 60, 3426 (1974).
(5) Carrington, Gallagher, PR A 10, 1464 (1974).
(6) Bouchiat, Brossel, Mora, Pottier, JP(Paris) ]2, 1075
(197.5) •.
(7) Ottinger, Scheps, York, Gallagher, PR A 11, 1815
(8) Tam, Moe, Park, Happer, PRL Ji, 85 (1975) I
(1975).
RbBr, RbBr+s
aThermochem. value (4); 3.98 eV by flame photometry (5).
bOnset of the photoelectron spectrum (11), vertical
transition at 8.17 ev.
RbBr, RbBr+ (continued)a
cAlso observed in the electron energy loss spectrum (8),
additional peaks at 7.4, 16.J, 19.8 eV. (7) give absorption
cross sections from J0300 to 50000 cm- 1 •
dThere is no conclusive evidence yet for the identity of the
upper states observed in the absorption and emission sp ••
eCalculated from the rotational constants (6).
f v- == + 2 .14 x lo-7 ( 14) •
Oe 85
geqQ( Rb) = -47.2 0 + 0.28(v+!) MHz }(l )
4 1
eqQ(79Br) = + 3.08 + 0.75(v+i) MHz
µ L = l0.8 6 D [molecular beam electric deflection (13)].
h e 0
_From D0 (RbBr), I.P.(Rb), and I.P.(RbBr).
1
From the maxima of the photoelectron peaks (11)(12); see
also ( 9).
jThe complexity of the metal 4p photoelectron spectrum is
tentatively attributed to configuration interaction (12).
(1) Mn11er, AP(Leipzig) 82, 39 (1927).
(2) Barrow, Gaunt, PRS A .fl.2, 120 (1953).
(3) Honig, Mandel, Stitch, Townes, PR .2.2., 629 (1954).
(4) Brewer, Brackett, CRev 61, 425 (1961).
(5) Bulewicz, Phillips, Sugden, TFS jl, 921 (1961).
(6) Rusk, Gordy, PR ]gl, 817 (1962).
(7) Davidovits, Brodhead, JCP 46, 2968 (1967).
(8) Geiger, Pfeiffer, ZP 208, 105 (1968).
(9) Goodman, Allen, Cusachs,Schweitzer, JESRPJ, 289 (1974).
(10) Oldenborg, Gale, Zare, JCP 60, 4032 (1974).
(11) Potts, Williams, Price, PRS A~' 147 (1974).
(12) Potts, Williams, JCS FT II .z.g_, 1892 (1976).
(lJ) Story, Hebert, JCP 64, 855 (1976).
(14) Tiemann, Holzer, Hoeft, ZN Jg a, 123 (1977).
551
 552
State w w x Observed Transitions References
e e e
Design. l v 00

b
µ = 24.7685361 I.P. = 8.26 eV JUL 1977
Continuous absorption with first maximum at tv40000 cm-1 .c (1)(11)
A Diffuse absorption bands {fluctuation b.) JOOOO- J8JOO cm- 1 ; long (2) (4)(15)
lower-state vibrational progression in chemiluminescence from
Rot.-vibr. b. (6)

!
18000 to 26000 cm-1 •
228 9 (0.92) 0.0876404 1 o.ooo45J6 f o.4947g 2.78673 6 Rotation sp.h (5)(9)
0
5 Mol. beam rf electric~ (13)
and magn. reson. J (10)

cas>Rb(3s>ct + 0
Do = 0.2 6 eV
k
JUL 1977
108600 1
(D)

(C)
106900
(102000)1,
100300
J,
} Ionization from the metal 4p shell.

x 0 Ionization from the halogen 3P shell.

cas> Rb 133Cs (µ = 51.8105910) JUL 1977

Evidence for an additional state in the 19000- 22000 cm- 1 region by two-photon ionization.
I I I
(3)
13747.2 J8.46 H A~ X, R 1J741. 7 (1)(2)
0 49.41 H

µ = 15.5248345 JUL 1977

Continuous absorption with maximum at 46500 cm- 1 .b
}<1)(4)
A Diffuse absorption bands 33500 - 42300 cm- 1 • A+- X
x 0 J76c (1.9) I
0.2106640 1 0.0015227 d 2.683 e
9 9
2.270333 Rot.-vibr. b. (13)
SCF-LCAO-MO calculations (16). Rotation sp. (5)(8)
Mol. beam rf electricfg (2)(10) (11)
I and magn. reson. hg (3)(9)
RbC.t, RbC.t + 1
aTherrnochem. value (7); flame photom. value 4.40 eV (8).
bOnset of a broad unresolv;d photoelectron peak with
maximum at 8.74 eV (14)(16).
cAdditional peaks in the electron energy loss spectrum
at 7.8, 15.5, 19.0, 2J.O eV (12). (11) give absorption
cross sections from J4000 to 50000 cm- 1 •
dSee d of RbBr.
eFrom the IR spectrum (6). From the rotational constants
(9) calculate w = 2JJ.J4, w x = 0.856.
f e e e
re = +7. 0 x lo- 7 •
g
foe= +2. x 10 -11 •
3 (3) Granneman, Klewer, Nygaard, Van der Wiel, JP B 2, 865
heqQ{ 85Rb) = -52. 67 5 + O. JS v MHz }
2
eqQC 35 c.e) = + 0.774- 0.155 v MHz v = O,l, <5 );
for constants of 8 7Rb35c.t see (3)(5).
~µei.[D] = 10.483+ 0.054(v+t), v = 0,1,2.
JgJ = (-)0.018 µN.
3
kFrom ng(RbCi.) and the ionization potentials of Rb and
RbC.l.
1.From maxima of the photoelectron spectrum (16)(17)1 the
halogen 3p spectrum is unresolved. See also j of RbBr+.
(1) Muller, AP(Leipzig) 82, 39 (1927).
(2) Sommerrneyer, ZP ...2.£, 548 (1929).
(3)
(4)
Bolef, Zeiger, PR .§.2, 799 (1952).
Barrow, Gaunt, PRS A~' 120 (1953).
(5) Trischka, Braunstein, PR .2.£, 968 (1954).
(6) Rice, Klemperer, JCP gz, 573 (1957).
(7) Brewer, Brackett, CRev 61, 425 (1961).
(8) Bulewicz, Phillips, Sugden, TFS .iZ, 921 (1961).
(9) Clouser, Gordy, PR A 1..1±, 863 (1964).
(10) Mehran, Brooks, Ramsey, PR 141, 93 (1966).
RbC.t, RbCi.+ (continued)1
(11) Davidovits, Brodhead, JCP 46, 2968 (1967).
(12) Geiger, Pfeiffer, ZP 208, 105 (1968).
(13) Hebert, Lovas, Melendres, Hollowell, Story, Street,
JCP 48, 2824 (1968).
(14) Goodman, Allen, Cusachs, Schweitzer, JESRP ], 289
(15) Oldenborg, Go le, Zare, JCP 60, 4032 ( 1974). I(
1974).
(16) Potts, Williams, Price, PRS A~' 147 (1974).
(17) Potts, Williams, JCS FT II~' 1892 (1976).
RbCs1 (1) Loomis, Kusch, PR 46, 292 (1934).
( 2) Kusch, PR 12,, 218 (1936).
(1976).
RbF1 aTherrnochemical value (6)1 flame photometry gives 5.2 eV
(7).
bThe electron energy loss spectrum has peaks at 4.9, 8.2,
9.4, 14.8, 18.4, 19.7, 21.0 eV (14).
cFrom the IR spectrum (lJ); good agreement with we= J7J.27
and wex = 1.80 as calculated from the rot. constants (8).
dre = +J~JOxlo- 6 • (5)(8) give constants for 8 7RbF.
e f3e = -0. 003 x 10 -7 (8) •
7
fµe.e[D] = 8 5131+ o.0665 0 (v+!) + o.0002 6 (v+!) 2 , v=0,1,2 (l~)
(15); eqQ( 85Rb)[MHz] = -70.7]9+ o.797 (v+~) - o.005 (v+~) ,
V=0 ••• 4 (10)(11)(12).
5 3
g(l7) give constants for 8 7RbF (eqQ, µe.l' gJ, etc.).
hgJ = (-)0.044 1 µN (9)1 somewhat different values by (12) · ·
for v=O (-0.05470) and V=l (-0.05455).
(1) Gaunt, Barrow, Nature 164, 75J (1949).
(2) Hughes, Grabner, PR 12, Jl4 (1950).
(continued p. 555)
553
 554
State exe Observed Transitions References
Te w w B «e D re
e e
e
(i) Design. l voo

<s5 >Rb 'H (µ = 0.99600357) JUL 1977

A lr+ 18219. 8 211.7 z -6.47a 1.112 -o.054b _[ 0.000110°1 J.901 A-?X, R 17862.J z (l)* (2)
x lE+

(ss>Rb2H
0 936.94 z 14.2ld l 3.020 o.072e o.000123f 2.367

(µ = l.9674J480) JUL 1977

A lE+ t.G(lOfa-) = 19J.6 z { o.642
o.648
(v=ll)
(v= 10)
0.000011
0.000026 A~ X, R
v(l0-1) =
19084.9 z (2)
x lE+ 0 1.488 (v = 1) 0.000024 r 1 = 2.400

<s5 )Rb+He {µ = 3.82242061) DO= (0.000115) eVa

e JUL 1977
Green emission "bands" near the forbidden 6s-5s and 4d-5s transitions of Rb (4); similar features in absorption (2).
Far-wing emission spectra of the Rb resonance lines (3), near-wing intensities (6). Predicted potential curves (1).
x 22:+ 0
l J 7. 36)a l(
ssRb 1211 µ = 50.8728017
0
Do = 3.3 0 eV
a I.P. = 7.1 2 eVb JUL 1977
Continuous absorption with maxima at 30700, 38100, 41800 cm-l.c (1)(2)(7)
A Diffuse absorption ( fluctuation) bands 23150 - 27 550 cm- 1 r long Ad~X (2)(10)
lower-state progression in chemiluminescence 17500- 22500 cm- 1 •
x lE+ 0 138 • .Sle l
0. 335• 0. 0328 3293 o. 000109"6f l
? • 3Bog
(lo-9cm- 1 )
J
3.176879 Rotation sp. h (.3)(6)

<ss) Rb 1111 + 0
D0 = 0.36 evi JUL 1977
(D) 119700~
11s600J
} Ionization from the metal 4p shell.
(C) 113100~
111500 J
A (!) 7800j
oj } Ionization from the halogen 5p shell.
x (f,~)
RbF (continued)1
(J) Bolef, Zeiger, PR f.2., 799 (1952).
(4) Barrow, Gaunt, PRS A .£12,, 120 (1953).
(5) Lew, Morris, Geiger, Eisinger, CJP ]£, 171 (1958);
Lew, CJP 42, 1004 (1964) (erratum).
(6) Brewer, Brackett, CRev 61, 425 (1961).
(7) Bulewicz, Phillips, Sugden, TFS .2.Z, 921 (1961).
(8) Veazey, Gordy, PR All§., 1303 (1965).
(9) Mehran, Brooks, Ramsey, PR 141, 93 (1966).
(10) Zorn, English, Dickinson, Stephenson, JCP !±5_, 3731
(11) Bonczyk, Hughes, PR 161, 15 (1967). I
(1966).
(12) Graff, Schonwasser, Tonutti, ZP 12.2, 157 (1967).
( 13) Baikov, Vasilevskii, OS(Engl. Transl.) 22, 198
(14) Geiger, Pfeiffer, ZP 208, 105 (1968). I
(1967).
(15) Hebert, Lovas, Melendres, Hollowell, Story, Street,
JCP 48, 2824 (1968).
(16) Matcha, JCP .iJ., 4490 (1970).
(17) Heitbaum, Schonwasser, ZN~ a, 92 (1972).
Rb 1H, Rb 2H1
aw e y e = -0.25 , we z e = +0.0030 (v6.9).
3
b - O. 0054(v+!) 2 + O. 00016 2 ( v+~) 3 ( v£ 9) •
c /3e ~ -0. 026 x lo- 4
dw e y e = +0.082.
er -
f e -
+0.0003.
-4
fae ~ -O.Ol 3 x 10 •
(1) Gaydon, Pearse, PRS A !..ZJ, 28 (1939).
(2) Bartky, JMS 21, 1 (1966).
RbHe1 ~seudopotential calculations of (1), corrected values
quoted by (7). According to (7) the rotationless ground
state potential supports one bound level, and a single
RbHe (continued)1
quasibound level exists for N=l. The quasibound state has
a natural lifetime of o.6 ns [electron spin relaxation
study of optically pumped Rb ( 5) ].
(1) Baylis, JCP ...21, 2665 (1969).
(2) Besombes, Granier, Granier, OC !, 161 (1969).
(3) Drummond, Gallagher, JCP 60, 3426 (1974).
(4) Tam, Moe, Park, Happer, PRL J.2, 85 (1975).
(5) Franz, Volk, PRL J.2, 1704 (1975).
(6) Ottinger, Scheps, York, Gallagher, PR A 11, 1815 (1975).
(7) Kiehl, PL A 2§., 82 (1976).
RbI, RbI+1
aThermochemical value (4), J.52 eV by flame photometry (5).
bOnset of the first photoelectron peak with maximum at
7.51 eV (11).
cAdditional peaks in the electron energy loss spectrum at
6.4, 15.6, 19.2 eV (8). (7) give absorption cross sections
from 26000 to 50000 cm-l
dSee d of RbBr.
eCalculated from the rotational constants (6).
f
de = +1. 18 x 10-7 •
gfa = +o. 005 x lo- 9
3
h e 85 · 127
eqQ( Rb) = -40.4 0 MHz, eqQ( I) = -59.8 MHz, both for
9
V=O (14). µ t = 11.4 8 D [electric deflection method (lJ)].
. o e
~D 0 (RbI) + I.P. (Rb) - I.P. (RbI).
JFrom maxima of the photoelectron peaks (9)(11)(12). See
also j of RbBr+.
(1) Schmidt-Ott, ZP .Q.2, 724 (1931).
(2) See ref. (4) of RbF.
(J) Honig, Mandel, Stitch, Townes, PR .2.Q., 629 (1954).
(continued p. 557 )

555
 556
State Te w we x e Be ae De re Observed Transitions References
e
(10- cm- 1 ) (i) Design.
l voo
cas> Rb (a11-> Kr (µ = 42.2043444)
0
De = 0.0091 eVa JUL 1977
2 2 2
Theoretical potential energy curves correlated with Rb 5 D, 7 s, and 4 F (7).
Green emission "bands" near the Rb 6s-5s and 4d-5s forbidden transitions (11); similar features in absorption (J).
2E+

I
B Potential energy curves for all four states have been constructed from studies of the far-
A
2 wing emission spectra of the Rb resonance lines (8)(9)J near-wing intensities measured by
2n3/2
A nl/2 (10). Only the n curves have deep potential wells with De~ 420 cm-1 and re~ 3.5 R.
x 2E+ 0
b a
5.29

(µ = 16.1823211) JUL 1977

Green emission "bands" near the Rb 6s-5s and 4d-.5s forbidden transitions (6); similar features in absorption (2).
2E+ I

I
B
A
2 Far-wing emission spectra of the Rb resonance lines studied by (J)(4), near-wing spectra by
211J/2
A n1;2 ( 5). The derived 2n potential curves are attractive with ne~150 cm- 1 and re~J.41L
x 2E+ 0
l l 1 (7.8)a

css>Rb 160 (µ = 1J.4595J064) JUL 1977

A 2rr.J_ (606)a (J89)a {2.4l)a
x 2r;+ 0 (4JJ)a (2.28)a

cs5>RbCr31>xe (µ = 51.6577261) DO= (O.OlJ4) eVa

e JUL 1977
Green emission "bands" near the Rb 6s-5s and 4d-5s forbidden transitions (8); similar features in absorption (2).
B 2r:+ Potential curves for all four states have been constructed from the study of the far-wing emission
A
2 spectra of the Rb resonance lines (4)(6); near-wing intensities measured by (7). B 2 E is repulsive,
2IlJ/2 2 1 2
A 11 A n attractive with De~ 650 cm- and re~ J.4J R. Teratomic recombination in A rr ( 5) ( 9).
1;2
x 2E+ 0 I b I (4.97)a
112
__J____
RbI, RbI+ (continued)1 RbNe1 aPseudopotential calculations (1).
(4) Brewer, Brackett, CRev 61, 425 (1961). (1) See ref. (2) of RbKr.
(5) Bulewicz, Phillips, Sugden, TFS ..22, 921 (1961). ( 2) See ref. (3) of RbKr.
(6) Rusk, Gordy, PR ]21, 817 (1962). ( 3) See ref. (8) of RbKr.
(7) Davidovits, Brodhead, JCP 46, 2968 (1967). (4) See ref. (9) of RbKr.
(8) Geiger, Pfeiffer, ZP 208, 105 (1968). (5) See ref. (10) of RbKr.
(9) Goodman, Allen, Cusachs, Schweitzer, JESRP J, 289 (6) See ref. (11) of RbKr.
(1974).
(10) Oldenborg, Gole, Zare, JCP 60, 4032 (1974). Rb01 aAb initio calculations (2); experimental evidence for a
2
L ground state comes from the ESR spectrum of matrix
(11) Potts, Williams, Price, PRS A .1!1, 147 (1974).
(12) Potts, Williams, JCS FT II .z.g_, 1892 (1976). isolated 8 7Rb0 (1).
(13) Story, Hebert, JCP 64, 855 (1976). (1) Lindsay, Herschbach, Kwiram, JCP 60, 315 (1974).
(14) Tiemann, Hoeft, ZN J! a, 236 (1976). (2) So, Richards, CPL .}g, 227 (1975).

RbKr1 ~rom atomic scattering data (1), see also (2)(6). RbXe1 aPseudopotential calculations (l); see also (3)(4).
bThe existence of Rb-rare-gas van der Waals molecules bSee b of RbKr.
has been shown in relaxation experiments on optically (1) See ref. (2) of RbKr.
polarized Rb atoms; see e.g. (4)(5). Average values (2) See ref. (J) of RbKr.
for the spin-rotation interaction have been derived (3) See ref. (6) of RbKr.
from these observations& f=
0.0000216 for RbKr and (4) See ref. (8) of RbKr.
r~ O. 00005 2 for RbXe.
(5) Carrington, Gallagher, JCP 60, 3436 (1974).
(1) Buck, Pauly, ZP 208, 390 (1968). ( 6) See ref. (9) of RbKr.
(2) Baylis, JCP ..21, 2665 (1969). (?) See ref. (10) of RbKr.
(3) Besombes, Granier, Granier, OC 1, 161 (1969). ( 8) See ref. (11) of RbKr.
(4) Bouchiat, Brossel, Pottier, JCP jQ, 3703 (1972). (9) Scheps, Gallagher, JCP £2, 859 (1976).
(5) Bouchiat, Pottier, JP(Paris) Jl, 213 (1972).
( 6) Nikiforov, Shcherba, OS (Engl. Transl.) J..g, 567 ( 1972).
(7) Pascale, Vandeplanque, JCP 60, 2278 (1974_).
(8) Drummond, Gallagher, JCP 60, 3426 (1974).
(9) Carrington, Gallagher, PR A 10, 1464 (1974).
(10) Ottinger, Scheps, York, Gallagher, PR A 11, 1815 (1975).
(11) Tam, Moe, Park, Happer, PRL J.2, 85 (1975).

557
 558
State Te w w x Be ()(
De re Observed Transitions References
e e e e
(lo- 6 cm- 1 ) (.R) Design. l voo
c1s1>Re r6o 2 {µ = 14.73432662) MAY 1975
Mostly R shaded band heads in the emission spectrum from 11500 to 17400 cm -1 • No analysis. (l)* (2)

I03Rh µ = 51.4527560
0
Do = 2.92 eVa MAY 1975
2
103Rhc'l)B (1..1 = 9.94531026) D00 = 4.8 eVa MAY 1975
9

103Rh'2C µ = 10.74679641 °
D0 = 6.01 eVa MAY 1975 A

Additional systems observed in matrix absorption. (5)

D 2L: ( - ) (21756) (782)b (0.482)bc (l.804) (2)
c 2L:(+) 21439.2 927.sd z o.551ode 0.0060 (1.0) 1. 687 3 c~x, R 21376. od z (1)(2)* (5)
13.73
2L:(+) [o.5067]fg (0.8) B.- X, R 21361.0f z (1)(2)(5)
B [1.7595]
k
A 2n r 10242.75h 939.12 z 5.48i 0.57149. 0.00428 0.832.t 1.6554 Ali:-+ X, R
10187. 24m Z (4) (5)
9462.94 949.41 z 5.357 o.57329J 0.00426 0.826 9412.6om z
x 2l:(+) 0 1049.87 z 4.937 o.6027n 0.00396 0. 783° 1. 6133 ESR sp.P

I03Rh'60 µ = 1).84322127 D0O = 4 .2 eV a MAY 1975

Unclassified R shaded emission bands in the region 15150 - 17050 cm -1 . ( 2·)

103 Rh c28>s i (µ = 21. 9966876) D00 = 4.o 5 eVa MAY 1975

103 Rh ('tS)Ti (µ = 32.707955 2 ) D00 = 4.0 1 eVa MAY 1975

ReOi (1) Gatterer, Junkes, Salpeter, Rosen, METOX (1957). RhC (continued):
(2) Raziunas, Macur, Katz, JCP 1J., 1010 (1965). nSpin-splitting constant f = - 0.065.
aThermochemical value (mass-spectrom.)(1)(2). ,..,e = + 0 • 01 2 x 10 -6 •
OA

Prn rare gas matrices at 4 K (5).

(1) Gingerich, Cocke, CC (1972), 536.
(2) Cocke, Gingerich, JCP 60, 1958 (1974). (1) Lagerqvist, Neuhaus, Scullman, ZN 20 a, 751
(1965).
RhB: aThermochemical value (mass-spectrom.)(l). (2) Lagerqvist, Scullman, AF J.f., 479 (1966).
(1) Vander Auwera-Mahieu, Peeters, Mcintyre, Drowart,
TFS 66, 809 (1970). (3) Vander Auwera-Mahieu, Drowart, CPL 1, 311 (1967).
(4) Kaving, Scullman, JMS ~' 475 (1969).
RhC: aThermochemical value (mass-spectrom.)(3)(6). (5) Brom, Graham, Weltner, JCP .5J..., 4116 (1972).
bVibrational numbering uncertain. All information based (6) Cocke, Gingerich, JCP ..21, 3654 (1972); 60, 1958
on perturbations in C 2 E(+). ( 1974).
cSpin-spli tting constant 0 ~ - 1. 6.
dStrong perturbations produced by interaction with RhO: aThermochemical value (mass-spectrom.)(l).
B 2E(+), and weaker perturbations produced by D 2L(-). (1) Norman, Staley, Bell, JPC 68, 662 (1964); AdC
The constants in the table are deperturbed values. The No. 72, 101 (1968).
observed origin of the 0-0 band is at 21452.0 cm- 1 • (2) See ref. (2) of ReO.
eSpin-spli tting constant D = - 0.03.
fvibrational numbering uncertain. Strong interaction RhSi: aThermochemical value (mass-spectrom.)(l).
with v=O of C 2L(+). The constants in the table are (1) See ref. (1) of RhB.
deperturbed values. The observed band origin is at
21285.0 cm- 1 • RhTi: ~hermochemical value (mass-spectrom.)(1)(2).
gSpin-splitting constant r = + 1. 00. (1)(2) See ref. (1)(2), resp., of Rh 2 •
hA = + 781.07 - l0.50(v+%); also J-dependent terms.
i v
. we y e = + 0.021.
J.1\.-type doubling in 2 n 1
112
~vf (+)[0.0177 + o.0016(v+t)](J+t).
k e -6
fle = + 0.0032xl0 •
J.,fle::: - o.0019x lo- 6 •
mJ'=O relative to N"=O.

559
 560
D' r'e
(Sub-) w'e w~x~ B•
e
(X'
e
e References
Ve D"
e r"e and
system ll.111
e
11
lll X"
e e B"
e
()("
e (10-7cm-l (Jt) a-rr·
l voo Remarks

<102)Ru c11>B °
(µ = 9.93587621) D
0 = 4. 60 eVa MAY 1975

101Ru12c µ = 10.73578136 D °
0 = 6.6 8 eva MAY 1975
Constants for v=ls 0.5133 9.7 1.749 (5)
XI <- R 23802. oob z P and R br.
[0.5875] I [7-5] [1.635]
[743.25] z 0.5234 0.0069 [9.5]c 1. 7321 (3) ( 5)*
x 23299 4t- 4, d R 23152.00 z
P and -R br.
1038.8 z 4.64 0.5878 0.0036 8.3 1.6344
[775.25]e Z [0.5273] o.0077e [10] [1. 7256] (3)(5)
IX 22925 +- R 22803.25 z P and R br.
[1018] H [0.5885] [7.5] [1.633]
[0.5637] [9.6] [1. 6690] (4)
VIII 0-0 sequence only. -+ R 15344.82 z P, Q, R br.
[0.5882] [8.9] [1. 6339]
954.56 z 5.39 0.5702 0.0043 9.of 1.6.595 4~3, 13820.19 z (4)* (5)
VII 13862.64 R P, Qg, R br.
10J9.14 z 4.75 0.5882 o.oo4o 7.7 1.6339
[962] H [0.5701] [10.2] [1.6596] (4)
VI 13353 ..... R 13312.69 z p' Q, R br.
[1043] H [0.5887] [9.6] [1.6332]
y 13328
[949] H [ o. 5697] [9.6] [1.660] ~ R 13286 .43 z (4)
[1032] H [0.5882] [8.6] [1.6339] P, Q, R br.
960 H 3 [0.5698] [8.4] [1.6600] (4)
IV 13138 2-+ 1, R 13094. 87 z P, Q, R br.
1048 H 5·5 [o.5879]h [8.1] [1.6343]

III 12913
[944]
[1020]
H
H
[0.5691]
[0.5882]
[9-4]
[9.o]
[1.6611]
[1.6339]
... R 12875.23 z (4)
P, Q, R br.
[0.5710] [9.1J [1. 6583] (4)
II 0-0 sequence only. ( 2) -t- (3), R 12658. 26 z P, ·~, R br.
[0.5864] [7.8] [1. 6364]
(950) H [0.5653] [?.5] [1.6666] (4)
I 12664 ..... R 12624.28 z P, Q, R br.
(1030) H [0.5870] [6.6] [1.6355]
RuB1 aThermochemical value (mass-spectrom.)(l). Rue (continued)1
(1) See ref. (1) of RhB. (1) Mcintyre, Vander Auwera-Mahieu, Drowart, TFS 64,
3006 (1968).
RuC1 aThermochemical value (mass-spectrom.)(l), revised (2);
(2) See ref. (1) of RhB.
(6).
(3) Scullman, Dissertation (Stockholm, 1971); see
bOnly 1-0 band analyzed.
cD -7 USIP Report 71-02.
1 = 8. Ox 10 • (4) Scullman, Thelin, PS], 19 (1971).
dit is possible that the lower state of system X is
(5) Scullman, Thelin, PS 2, 201 (1972).
identical with that of system VII. In this case, 11'
(6) Gingerich, CPL .£5., 523 (1974).
fl"= 3.
eAssignment of 1-0 band not certain. Lower state con-
stants for this band are B() = 0. 5869, D() = 7. 0 x io- 7 •
f
foe = - 0. 3 x 10 -7 •
gPerturbations.
hThe fi-type doubling in th~ 0-0 band, t::N ~ 0.00010 x J(J+l),
3
is believed to arise in the lower state.

561
 562
State w we x e
"'e Observed Transitions References
e
Design. l v 00

0 a
D0 = 5.3 eV MAY 1975
Additional uncl~ssified emission bands in the region 15500 - 17200 cm-l (J)
b
BJ a + 18121.4 792.9 H 4.1 0.3818 0.0025 4 1.787 1 BJ-+A.3,b R 18086.2 Z (1) (.3)*
3
B2 (fi= 3) a 2 + 18101 [783] H [0.382]c [6Jc [1.78 ] B -t-A2' R 18065.1
2 Z (1) (J)*
7
Bl [(0.384)] [ ( 1. 78)] B1 ~ A1 , b R 18024 Z (1) (J)
d 863.5 H 4.6 o.4137 0.0028
A3 a.3 .3 1. 7168
d [0.4144] 8
A2 (.O.= J) a2 [855] H [J.9] [1.7154]
d [(0.414)] [ ( 1. 72) J
Al al

oo2> Ru c2s>5 i (µ = 21.9505901) D00 = 4 .0 8 eva MAY 1975

c102> Ru 232 Th (u = 70.807681 )

5
n0O = 6 .1 eV a MAY 1975

32. s2. µ = 15.9860364 ng = 4. 3693 eva JUL 1977

Additional progressions and unassigned bands in the absorption spectrum 65700 - 71900 cm- 1 • (50)
F
c (66333) H F+- X, 66384~ H ( .36) ( .50)
(66229) 66280 H

E
c (65933) H Ef- X, 65980~ H (36) (50)
(65829) 65876 H
j Only v=O observed. j -t ( b) ,e V 56077. 7 H (25)*
i [785.0] H i~(b), 8 V 55099.J H (12)*
h 819.6 H 2.70 h-4(b),8 V 51461.4 H (12)*
59012.50 z
D 3rr
58978.7
58691.7 793.8 H 4.oo ~0.3073~
0.3066 [1. 85] [l.8546] D~X, V 58725.47 Z
(8)* (12)
u,r 58518.J 0.3059 58552.05 z (Jl)

g l~ x + 52187. 7 816.0 H 2.70 [0.3210] (2.0) [l.8125] g~ a, f V 52244.66 Z (12)* (26)

u
C' ( 3E-) v=O only; system e- X of (12). C' -H, V .56621.6 H (12)*
u
Ru01 aThermochemical value (mass-spectrom.)(2).
bR and P branches only.
cB = 0.381, D1 = 9 x io- 7 • Perturbations.
1
dRelative position of these three states unknown.
eB 1 = o.413.
(1) See ref. (2) of ReO.
(2) Norman, Staley, Bell, AdC No. 72, 101 (1968).
(3) Scullman, Thelin, JMS 2~, 64 (1975).
RuSi1 aThermochemical value (mass-spectrom.)(l).
(1) See ref. (1) of RhB.
RuTh1 aThermochemical value (mass-spectrom.)(l).
(1) See ref. (6) of Rue.
aFrom the predissociation limit in B 3~~ assuming dis-
sociation at this limit into Jp 2 + 3p 1 (J2). The value
given here {35240.2 cm- 1 ) is relative to the lowest
existing level in X J~-(v=O), i.e. J=O, in accordance
with the definition ofgDg but at variance with the
value given by (J2) which refers to a hypothetical
level (N=O) of the F 2 component at 23.1 cm-l above
°=
J=O. n0 4. 38 eV by photoionization mass-spectrometry
(JO), 4.4 1 eV from thermal measurements (27). See also
(23).
s2 (continued)!
bBy photoionization mass-spectrometry (28)(30).
cThe two states E and F are believed to be members of two
Rydberg series, one converging to X 2n of s;(c,E, ..• ),
112
the other to X 2n (F, ••• ). The apparent doublet struc-
312
ture of the bands is tentatively attributed to (11.c,w) coup-
ling ( J6).
c\ieasurements of (50); assignments of higher members of the
two progressions appear uncertain.
eThe lower state(s) of the three systems could be either a
orb; see (18)(26). Bands originating from the j level have
double heads, all others single heads. No absorption cor-
responding to these transitions has been reported, although
strong absorption from a 1 6g (g~ a, f~ a) has been seen in
the flash photolysis of s 2ct 2 {28a)(36) and COS (35). (12)
use c and c' instead of h and i, respectively.
fcalled d-+ x by ( 12). Observed in absorption in the flash
photolysis of s 2ct 2 (36).
s 2 (continued from p. 565 ) i
b'spin splitting constants A = +ll.82+ 0.05(v+~) + 0.0024x
2
v
(v+i) ' rv = -0.00659- o.000126(v+t) for ve::.27, from (44)
who give also data for 34 s 2 i see also (13)(18)(45). From
the pure rotational Raman spectrum (46) obtain B0 = 0.29443.
c'
re= -l.82x 10
-6 (18).
d'Raman spectra in solid matrices (37)(47) yield L\G= 717.
563
 564
State T we wexe B
e «e De re Observed Transitions References
e
( 10-7cm-1 } (i) Design. l voo

3252 (continued)
c Jr;-u 55581. 7 829.15 z 3.J4 0.3219g 0.001.33 h [2.17] 1.8100 c~x, v 55633. Ji z (3)(8)*
(12)(29)*
f lA x+ J6875.45 4,38.J2 z 2.7oj o.22704k 0.00178 (2.4J) 2.1551 f~a,t R J674J.5J z (26)(35)
u n
- -
B' Jng,i { z+(ll+;o4) [5J.3.7]m {Z) [o.244 1 ]n [ 2. 078] B'-+ A, v{l J4;l. 95° z (16)(24)
(49)*
z+(l4295) - [o.24J ]n
5 13320.64° z

B'->A', v{ 1414:.J? z (10)(16)

(24)(48)*
14318.07 z
B Jr;- Jl8J5 4J4.oP 2.75P o.2239Pqr o.0023P [2.4]P 2.170 B8 +---+ X, t R Jl689u (6)(9)(18)
u

A Ji;+ {o~
z + l078v 482.75 z 2.58 0.2.301 0.0021 2.141
w
u lu z + 1000.49 48_2.15 z 2.56 0.2259 0.0014 2.161
- - - -
A' 3au, i
{z + 383
zx
488.16
488.25
z
z
2.51
2.52
0.2285
0.2285
0.0014
0.0015
2.148

b lr;+ y (699.7)Y (3.4)Y

1 g xz
a Ag 702.35 z J.09 0.29262 0.00173 (2.01) 1.8983
{ Raman sp. d' (40)(46)
x Jr;-
g 0a' 725.65 z 2.844 0.29547
b'
0.001570Cj [l. 9o] 1.8892 EPR and (45)
mol. beam rf sp. (25a)

s2 (continued)s
gSpin splitting constants A 0 = -11.6 1 , to
= +0.033. kBreaking-off in emission above V'=lO (20)(22). In absorp-
h
. re = -o. 00023. tion (.35) bands with v'=ll and 12 have been observed, the
1
This number, given or implied by (18)(29),refers presumably rotational lines being only very slightly broadened. Pre-
. to the F 2 levels in both upper and lower state. dissociation probably into JAu from Jp + 1n •
Jweye = -0.005. tFirst observed by (4)(15). Vibrational numbering established
s 2 (continued)1
by isotope investigations (17)(21).
mFragments of two V shaded emission bands at v 0 = 1J451.9 and
1J985.5 cm- 1 have been observed by (10) and assigned (18)
to a 1 rr ~ 1 2:- transition later called e ~ c ( 26). The first
g u
band (B • :l:I o. 24 4 , B" :l:I o. 22 , predissociated except for low J)
9
is undoubtedly the 0-0 band of the B' Jrrgl ~A JE~(O~) tran-
sition, the second presumably the corresponding 1-0 band
since the t:.GOa) value agrees fairly well with we :l:I 500 as
estimated from isotope shift studies (24). However, no
emission from levels having v'> 0 was reported by other in-
vestigators.
nThe last observed levels in emission are J'=JJ and 15 in
3rr and 3n , respectively; higher levels, and presumably
2 1
all levels of the unobserved 3rr 0 component, are predis-
sociated.
0
origins of the 3rr 2 g-+-Ji:~(lu) and 3rr 1 g~Ji:~(O~) transitions.
Pvibrational constants from (6), rotational constants from
(9). (18) give Bo= 0.22J5, rxe= 0.0018 (i.e. Be= 0.2244)
without mentioning whether this is based on a revised ana-
lysis. This state is heavily perturbed by a Jnu state (18);
as a result none of the constants are very meaningful.
qSpin splitting constant A :l:I -4.7 for v=0,2,4 (v=6,7 are
also inverted) but +9.5 for v=l,J,5 (4J); see P. (18) give
0 = +0.05 for V=0,1,4.
rBreaking-off in emission (at low pressure) above
J=61} J=J7} (F 1 component) }
J=58 in v=8, and J=J6 in v=9 (F 2 component) (J2).
J=59 J=J5 (FJ component)
These together with similar breaking-off points in J4s 2 and
32s3 4 s yield a predissociation limit at J56J6.J cm- 1 above
X 3 E~(v=0,J=O) of 32s 2 • Bands with v·~10 are absent in
emission [except at high pressure (1)(2)(11)] and broadened
in absorption. Above v'=l8 there is strongly increased dif-
fuseness indicating a second predissociation (7). Pressure
effects on the intensity distribution of the absorption
bands ( 5) ( 14) •
sLifetime ~(v=O ••• J) = 17 ns [phase shift method (JJ)];
't"(v= J, 4) = 19. ns [Hanle effect (41) ].
5
The most recent measurements [single-photon time corre-
lation (51)] give T= 45.0 ns.
tSecondary heads on the short-wavelength side of the bands
are formed by the forbidden TR branches [(10), see also
31
(J9)]. Experimental Franck-Condon factors (v"=0 ••• 25) from
resonance fluorescence series with v'=J,4 (42), see also
(40). Theoretical Franck-Condon factors (14)(J8) [see, how-
ever, P]. 3 2s 2;3 4 s 2 isotope shifts (J4). Absorption in
inert gas matrices at low temperature (19).
uThe observed position of v'=O relative to X Ji:-(v"=O) is
at Jl659 cm- 1 ; strong vibrational perturbation:
VA= -J9.0 (and r= +0.008) derived fron the observed Fl (N) -
F 2 (N) splittings (49).
WB+(F2) - B-(F1) = +0.0021.
xz :l:I 22000 cm-1, very rough estimate based on the fact that
the upper state of B'~A' is predissociated and, therefore,
cannot lie below the dissociation limit Jp + Jp. A similar
value is obtained by extrapolation of the vibrational
levels in A' and X to their common limit Jp + Jp.
YAssuming that b is the lower state of the three singlet
systems originating from h, i, j.
z(J5) estimate X:l:i4700 cm- 1 •
a' Refers to the F component.
2
(continued on p. 563, ref. on p. 567)
565
 566
State Te w
e
w x
e e Be ri.e De re Observed Transitions
·-- Refere nces
(10- cm- 1 ) (R) Design.
1 voo

32S2 + µ = 15.9858993 DO
0
= 5.J7 eva JUL 1 977
2
~everal additional unresolved photoelectron peaks with vertical I.P.'s of 15.58 ( nu), 17.73, 18.10, 18.66, 23.33, 25.99 eV (2).
l:- 41820
B
g 540 I I (1.98)
b 42:- 580 All constants obtained by photoelectron spectros-
~ 30920 copy (2); data of somewhat lower resolution are (1.936)
2 g
A nu 22390 530 given by (1). Internuclear distances derived from (2.042)
Franck-Condon factor analyses of the photoelectron
a 4n u 17440 600 spectra (2). (2.053)
x 2n g,r

3252-
470
0 790
1 0
(1.825)

a
l
µ = 15.9861735 DO = 3.95 5 eV I.P. = 1.66 3 evb JUL 1977

A, ( 2n ) 20220c A'~X, 20102 (7)

l
364.2/ 2.00 Constants for s; ions dissolved in KI
A u 20143 ) crystals, from spectra studied at 2 K A'X', 19452 ( 5) (8)
(5)(7); see also (8). Host crystals A~X, 20025 (2) (5) (7) (8)
X' 2 57f 600.8 3.01 other than KI lead to somewhat dif- Raman sp. (J) (8)
x ( ng,i) 6oo.8e ferent values.
0 2.16 EPR sp. (1)
-
~ 00( s 2 ) + I. p. ( s ) - I. p • ( s 2 ) • s 2- (continued) 1

(1) Berkowitz, JCP 62, 4074 (1975).
(2) Dyke, Golob, Jonathan, Morris, JCS FT II
aFrom Dg(s 2 ) and the electron affinities of s 2 and s.
bFrom laser photodetachment experiments (6).
cThe splitting is due to the crystal field, not spin-
orbit coupling which in the 2n state amounts to
.
approximately - 4 20 cm -1 (1)(7).g
dThe Raman spectrum of ions pumped into this state by
laser irradiation consists of a sharp line shifted by
362 cm -l ( 4) •
I (1975). e(3) predict a gas phase frequency of rv550 cm- 1 •
.z1, 1026
(1)Yannotti, Morton, PR 161, 282 (1967).
(2)Rolfe, JCP ~, 4193 (1968).
(3)Holzer, Murphy, Bernstein, JMS J.f., 13 (1969).
(4)Holzer, Racine, Cipriani, AdRS 1, 393 (1973).
(5)Ikezawa, Rolfe, JCP ...2.§., 2024 (1973).
(6)Celotta, Bennett, Hall, JCP 60, 1740 (1974).
(7) Vella, Rolfe, JCP 61, 41 (1974).
(8) Sawicki, Fitchen, JCP .£..5., 4497 (1976).
s 2 (continued)1
(1) Asundi, Nature ]dZ, 93 (19Jl).
(2) Asundi, CS], 154 (19J4).
(J) Wieland, Wehrli, Miescher, HPA 1, 84J (19J4).
(4) Rosen, Desirant, BSRSL ~, 2JJ (19J5).
(5) Kondratjew, Olsson, ZP 22, 671 (1936).
(6) Olsson, Thesis, Stockholm (19J8).
(7) Herzberg, Mundie, JCP ~' 263 (1940).
(8) Maeder, HPA 21, 411 (1948).
(9) Ikenoue, SL 2, 79 (1960).
(10) Meakin, Barrow, CJP 40, 377 (1962).
(11) Sugden, Demerdache, Nature 1.2j, 596 (1962).
(12) Tanaka, Ogawa, JCP 1£, 726 (1962).
(lJ) Barrow, Ketteringham, CJP 41, 419 (1963).
(14) Herman, Felenbok, JQSRT J, 247 (1963).
(15) Haranath, ZP lZJ., 428 (1963).
(16) Narasimham, CS JJ, 261 (1964).
(17) Narasimham, Brody, PIASA j,2, J45 (1964).
(18) Barrow, du Parcq, in "Elemental Sulphur" (ed. Meyer),
p. 251, New York Interscience (1965).
(19) Brewer, Brabson, Meyer, JCP 42, 1J85 (1965).
(20) Asundi, JCP 1.J., S24 (1965).
(21) Narasimham, Bhagvat, PIASA 61, 75 (1965).
(22) Narasimham, Gopal, CS J!±, 454 (1965).
(2J) Drowart, Goldfinger, QR 20, 545 (1966).
(24) Narasimham, Apparao, Nature 210, 10J4 (1966).
(25) Lakshminarayana, Narasimham, CS 1§, 533 (1967).
(25a)Channappa, Pendlebury, Smith, in "La Structure Hyper-
fine Magnetique des Atomes et des Molecules"(ed. Moser
and Lefebvre), p. 73, editions du CNRS (Paris, 1967).
(26) Barrow, du Parcq, JP B 1, 28J (1968).
(27) Budininkas, Edwards, Wahlbeck, JCP 48, 2859 (1968).
(28) Berkowitz, Lifshitz, JCP 48, 4346 (1968).
(28a)Donovan, Husain, Jackson, TFS 64, 1798 (1968).
(29) Barrow, du Parcq, Ricks, JP B ~' 413 (1969).
(JO) Berkowitz, Chupka, JCP .2Q, 4245 (1969).
(Jl) Ricks, Barrow, JP B ~' 906 (1969).
(32) Ricks, Barrow, CJP !±1, 242J (1969).
(JJ) Smith, JQSRT 2, 1191 (1969).
(J4) Chaudhry, Upadhya, Nair, IJPAP ~' 52 (1970).
(J5) Carleer, Colin, JP B ], 1715 (1970).
(36) Donovan, Husain, Stevenson, TFS 66, 1 (1970).
(37) Barletta, Qlaassen, McBeth, JCP 2.2, 5409 (1971).
(38) Smith, Liszt, JQSRT 11, 45 (1971).
(39) Tatum, Watson, CJP _12, 2693 (1971).
(40) Yee, Barrow, Rogstad, JCS FT II 68, 1808 (1972).
(41) Meyer, Crosley, JCP ..22., 19JJ (1973).
(42) Meyer, Crosley, JCP j,2, Jl5J (197J).
(4J) Meyer, Crosley, CJP jl, 2119 (1973).
(44) Barrow, Yee, APH .J.2., 239 (1974).
(45) Wayne, Davies, Thrush, MP 28, 989 (1974).
(46) Freedman, Jones, Rogstad, JCS FT II 11, 286 (1975).
(47) Hopkins, Brown, JCP 62, 1598 (1975).
(48) Narasimham, Sethuraman, Apparao, JMS j,2, 142 (1976).
(49) Narasimham, Apparao, Balasubramanian, JMS .22_, 244
(1976).
(50) Mahajan, Lakshminarayana, Narasimham, IJPAP 14, 488
(1976).
(51) McGee, Weston, CPL !±1., 352 (1977).
567
 568
State Te w w x Be ae De re Observed Transitions References
e e e
(10-9cm- 1 ) (i) Design. l voo

(12.l, 113) sb2 (µ = 60.9479074) 0

D0 = 3.09 eVa JUL 1977
Fragments of other emission band systems 11900 - 13900 (V shaded), 23800 - 27800' J3JOO - 34500 cm- 1 (R shaded). (6)
u (70194) [272]b Weak diffuse bands. Uf- X, 70195 (7)
NI (63258) [152]c H Three sharp bands. M+- X, 63199 H ( 7)
I (59142) [210]d H Weak system. I+- X, 59112 H (7)
G (5J888) [185]e H G+- X, R 53846 H (7)* (10) (11
E (48645) [22al H The bands appear diffuse. E+- X, 48624 H (7)* (10)
F
H
44780
(44329)
226.og
[479Jh
H
H
1.17 I
Single progression, observed in 121Sb2.
F+- X,
H+- X,
(R) 44758
v (44433)h
H
H
(1)(10)
(11)
D (32087) [209.6Ji H D+--+- X, R J2057 H ( 2) ( 6)
B o+ 19068.9 218.08 H 0.537 B = o. 044844j D2 =9.2 r 2 = 2.4835 B~X, R 1904J.O H (3)(4)(8)
u 2
A 14991 217.2 H o.44 A~X, R 14965 H ( 3) ( 4)
x li:+ 0 269.98 H 0.588 B = O. 050447 j D = 9. 5 r = 2. J415
g 2 2 2

121Sb75As µ = 46.2570576 JUL 1977

A ( 1 II) 27366 [204.7] H A,X, R 27297.1 H ( 1)
x li:+
c111) Sb109 Bi
0 J43.o H o.8
I I l
(µ = 76.5921117) JUL 1977
A
x lr;+

c121}
4o647a

Sb c19> Br
0
190.2
220.0
H
H

(µ = 47.7501007)
0.73
0.50
l l I
A~X, R 40632 H (l)*

JUL 1977
Two emission continua with maxima at 15400 and 19200 cm -1 (1)(4)
Strong diffuse absorption bands in the flash photolysis of SbBr , 44220
c ( 3rr) 3 C+- X, v 43269 ( 2)
41200-44200 cm-1 • tiG' ~ 340, tiG" ~ 258r analysis seems doubtful. 42265
 State Te w
e w x
e e Be ~ De re Observed Transitions References
(10- cm- 1 ) (~) Design. 1 voo
c111> sbl19> Br (continued)
(33740) 201.0 0.30 a (l)(J)
B2 H B
2 ~X, a R J.3719 H
Bl (.32.372) 207.6 H 0.85 Bl ~X, R 32354 H (1)(3)
A (19749) 215.8 H 0.35 A~X, a R 19736 H (1)(4)
X2 ( 3r;-) \ 0 242.7 H 0.56
x1 0

aThermochemical value (mass-spectrom.)(5)(9). Sb 2 (continued)s

b6G(3/2) = 254.
cl\G(3/2) = 149.
dl\G(3/2,5/2) = 216, 217.
el\G(3/2,5/2) = 195, 205 (10); (7) give also L\G(7/2) =
196. Bands of 121sb 2 (11).
fl\G(3/2 ••• 9/2) = 216, 217, 220, 246 (7) [flash photo-
lysis of SbH ]; (10) [high temp. abs.] give no assign-
3
ments.
g(lO) express doubts about the correctness of the ana-
lysis.
h6G(J/2 ••• 1J/2) = 541, 528, 477, 517, 548, 472. The con-
stants assume v'=O,v"=2 for the first b. at 4J897 cm- 1 •
iLevels up to v'=l7 have been observed; the L\G values
are irregular due to perturbations and vary between 208
and 228. (1) give different assignments and constants.
jConstants for 121 , 12 3sb 2 from the rotational analysis
of the B-rX 2-2 band by (8) who give also constants for
12lsb2 and 123sb2.
(1) Nakamura, Shidei, JJP 10, 11 (1935).
(2) Naude, SAJS ~' 103 (1935).
(3) Almy, JPC 41, 47 (1937).
(4) Almy, Schultz, PR 21, 62 (1937).
(5) De Maria, Drowart, Inghram, JCP J1, 1076 (1959).
(6) Mrozowski, Santaram, JOSA :21., 522 (1967).
(7) Donovan, Strachan, TFS §1_, 3407 (1971).
(8) Sfeila, Perdigon, Martin, Femelat, JMS 42, 239 (1972).
(9) Kordis, Gingerich, JCP 2§., 5141 (1973).
(10) Topouzkhanian, Sibai, d'Incan, ZN ..f..2 a, 436 (1974).
(11) Sibai, Topouzkhanian, d'Incan, CR B 280, 79 (1975).
SbAss (1) Yee, Jones, CC (1969), 752.
SbBia a(l) give erroneously 40617.
(1) See ref. (1) of Sb 2 •
SbBra aUndecided whether the lower state is x1 or x2 •
(1) Singh, Avasthi, IJPAP 1, 197 (1963).
(2) Danon, Chatalic, Deschamps, Pannetier, CR C ~' 1249
(1969).
(3) Avasthi, ZN 26 a, 250 (1971).
(4) Avasthi, Sharma, Sud, ZN JQ a, 695 (1975).

569
 570
State Te we wexe Be «e De re Observed Transitions References
(lo-7cm- 1 ) (i) Design. _l voo

c121) Sb 3sc1 (µ = 27.1238563) JUL 1977

E (47358) [(446)] H E~ X, v 47394 H (4)
D (45216) [436] H D+- X, a v 45247b H {4)* (5)
c (43069) 444 H 3 C4- X, a v 4Jl0Jb H (2)(4)* (5)
B (41616) 448 H 4 B+- X, a v 41652 H (5)
Az (25906) 24o. c
9c
H 0.85 A2 ""*X, a R 258J9C H (l)* (J)
Al (22178) 237.5 H 1.5 A1 ""* X, a R 22109C H (l)* (J)
b o+ 12148.7 382.1 H o.6 b~X ,
d
V 12152.4 HQ (6)*
2 e
f b~X ,
1 V 12958.9 Hp (6)*
X2 (Jr:-)\ 816.J
374.7 H o.6
x1 o 0
----
i2.1sb'9F µ = 16.4184644 n00 = (4.4) eV JUL 1977
c3 1 44756.7 [696.27] z 3.0 H o.2983a 0.0029 (2.2) 1.8553 c 3 .... b, v 31148.9 z (8)*
c3~a, v 37983.53 z (la)(8)*
c +-?x1 ,
3
v 44802.6 z (la)(2)(8)*
c2 44310.4 700.9 H 2.80 C -'tX , V 43558.2 H (la)(2)
2 2
AJ 1 28706.6 411.1 z 1.67 0.2414 0.00170 (J.J) 2.0624 AJ-+b, R 1495J.8b (Z) (9)*
A -+ a, R 21788.3b (Z) (l)* (9)*
3
AJ 'X 2 , R 27809.7b (Z) (la)(9)*
A2 2 24788.4 420.J z 1.71 0.2411 0.00165 (J.2) 2.0636 A2 °'a, R 17874.6c (Z) (9)*
A2-+X2' R 23896.lc (Z) (l)* (9)*
Al 22589.4 418.9 H 2.64 A1 -+Xl' R 22493.7 H (3)*
A o+ 21407.5 416 H 2.1 [0.23853] [J.22] [2.0747] A-+ x2 , R 2051).0d(Z) (6)(9)*
A-+X 1 , e R 21311 (9)
b l.l:+ 13651.l 615.5 2.8
H 0.2815 0.0025 (2.4) 1. 9098 b-+ x2 , 12856.15 z {7)*
b-+ xl' 13653.68 z (7)*
 State U) U) x Be ae De re Observed Transitions References
e e e
(lo-7cm- 1 )
I I -----
(~) Design.
] voo
-f---

(continue d)
a lt:.

X2 ( 3L:-) 1+
6816.0
796.3
616.3
612.6
z
H
2.70
2.61
0.2806
o.2805f
0.00187
0.0020
(2.LJ
(2.4)
1. 9129
1.9132
x1 o 0 [605.0] z 2.6 2 H 0.2792 0.0020 (2.3) 1.9177
-~
..

SbCl: alt is not decided whether the lower state is x or
1 9
x2 , both of the emission and of the absorption bands.
bAverage values of constants given by different groups
of authors.
cConstants of (3) who has observed a few more bands
than (1) as well as Cl isotope shifts. The lower-
state constants for these two systems agree poorly
with those derived from the b-+ X bands ( 6) •
dp and Q heads.
eSingle sequence of P heads.
fFrom the P heads of the b-+ X transitions.
(1) Ferguson, Hudes, PR j]_, 705 (1940).
(2) Basco, Yee, SpL 1, 19 (1968).
(3) Avasthi, SpL J, 291 (1970).
(4) Danon, Chatalic, Pannetier, CR C ~' 1411 (1971).
(5) Briggs, Kemp, JCS FT II 68, 1083 (1972).
(6) de Bie - Prevot, These (U. Libre de Bruxelles,
1974).
SbF1 a.Cl-type doubling t:.vef(v=O) (+)8. x 10-5J(J+l). Thero-
tational analyses by (4) and (5) are in disagreement
with (8).
bExtrapolations from v'-0 bands having v·~ 2.
cExtrapolations from v'-0 (A 2 -7X 2 ) and 0-v" (A 2 -+a) bands
having v·~ 1 and v"~ 2, respectively.
dExtrapolated from the 0-2 band, the only rotationally
analysed band. The lower-state vibrational numbering of
(6) has been increased by 1 (9).
eBand heads observed, but no details given (9).
f.!l.-type doubling t:.vef(v=O) = +0.00031J(J+l) (9).
(1) Rochester, PR j1, 486 (1937).
(la)Howell, Rochester, PPS ...21, J29 (1939).
(2) Patel, Abraham, IJPAP 1, 641 (1969).
(3) Abraham, Patel, JP B ], 882 (1970).
(4) Abraham, Patel, JP B ], 1183 (1970).
(5) Abraham, Patel, JP B 1, 1398 (1971).
(6) Chakravorty, Abraham, Patel, JP B ~' 757 (1973).
(7) Wang, Jones, Prevot, Colin, JMS !±.2,, 377 (1974).
(8) Prevot, Colin, Jones, JMS 2§., 432 (1975).
(9) Vasudev, Jones, JMS 22., 442 (1976).

571
 572
State Te we wexe Be ae De re Observed Transitions References
(lo- 4cm- 1 ) (i) Design. J voo

C12 1)Sb'H (µ = 0.99949J68) JUL 1977

AJ(Jil) o+ [J0ll5.8] [4.10] [2.028] AJ+- x2 , R 29460.8 z
AJ+- x1 , R J0115.8 z
B o+ [29761.2] [4.06] [2.0J8] B+- x2 , R 29106.2 z (1)(2)
B~ x ,
1 R 29761.2 z
A2 (Jn) 1 [28541] A2f-X2' R 27886 H
Very diffuse bands, rotational structure not resolved.
Al(Jil) 2 [26901] A1 -<- x2 , R 26246 H

X2(JL:-)l [654.97]
x1 o+ [5.684]a [2.4] [1. 7226]
[o]

<121)Sb 1 H (µ = 1.98109965) JUL 1977

c o+ [30566.4] [1.95] [2.09] Ct- X2' R 29906.4 z
AJ( Jn) o+ [Jo159.5] [2.06] [2. OJ] AJf- X2' R 29499.5 z
AJ+- x1 , R J0159.5 z
B o+ [29959.8] [2.10] [2.01] Bt-X 2 , R 29299.8 z (1)
Bf- x1 , R 29959.8 z
A2 (Jil) 1 [28677] Diffuse, partly resolved rotational structure. A2f- X2' R 28017.J H
Al(Jil) 2 [27017.9] Fragments only. [2.53] [10] [1.8J] A1 -t- X2' R 26J57.9 z
x2( Jr:-/ [660.01]
[2.8782]b [0.45] [1.7194]
x1 a+ [o]

c12nsb 1111 (µ = 61.9157482) JUL 1977

(41909) [264] H 41942 H
c (Jn) (41.387) [247] H C+- X, v 41411 H (1)
(40846) [244] H 40869 H
x 0 [198] H
 State Te w w x
e e Be ae De re Observed Transitions References
e
(lo-?cm- 1 ) (R) Design. l voo

c11•>sb11t-N (µ = 12.54958242) JUL 1977 A

B ( 1 n)

l l l
J4465 8J0.7 H 6.o B~X, R J4409 H (l)* (2)
x 12:+ 0 942.0 H 5.6

c111>Sb'60 (µ = 14.12610811) 0
D0 ~ 4.J9 eV (see c) JUL 1977
E 22:(+) a HQ 2.9 E~X, v J75Jl HQ (2)(5)
J9785 849.4 J9802
F ( 2 A) (J8958) [588.5] HQ F~X, R J657J•7
J8844.5
HQ ( 5)
G Diffuse heads J5800 - J89 50 cm -1 G~X, (V) (5)
D 2n1 J4544 505.9
b H J.O B1 = O. 2777 c D1 = 4.0 r 1 = 2.073 D-+ Xd, R J4J89.5 e (J)*(5)*(7)*
2
JOJ15 568.1 H J.28 C-+ X, R 27919.6 H
C (2Ar) 29747 570.6 H J.52 B2 = O. 2991 f D2 =J.25 r 2 = 1.997 29624. 8g (J)*(5)*(8)*

B 22: 26594 5a2. 0 HQ 6.5 B-+X, R 24204

26476
HQ (l){J)* (4)*

A 2n r 20801 H 5.0 A-4 X, R 18405 H (1)

20668 569.0 20544
x 2n 2272 816 HQ 4.2 o.35aofh 0.0022 [2.7]
r 0 1.8253

Sb 1H, Sb 2H: SbN1 (1) Coy, Sponer, PR 2§., 709 (1940).

aSpin splitting constants A= +JJJ. J9, 0 = -0.44. (2) Ciach, Thistlethwaite, JCP ..21, 3381 (1970).
bSpin splitting constants A= +333.01 (slight J depen- Sb01 aFrom the analysis by (5).
r
dence)' = -0 .19. bVibrational numbering of (5) increased by l; see (6)(7).
(1) Bollmark, Lindgren, CPL 1, 480 (1967); PS 10, J25 cv=2 of D 2 rr 1 predissociated at low J.
d 2 2

(2) Basco, Yee, SpL 1, lJ (1968). (1974). I X n-i component.

eCalculated from the origin of the 1-1 band.
~'
Sbl1 (1) Danon, Chatalic, Deschamps, Pannetier, CR C fRotational constants for 121sbo.
1249 ( 1969) • (continued p. 575 )

573
 574
State Te we wexe B
e ae De re Observed Transitions References
(lo-7cm- 1 ) (i) Design. l voo

121sb3'P µ = 24.6570049
0
Do = J.68 eVa JUL 1977
ln 281.36 [ 394. o]b z b 0.0002 ( J) R 28083.69 z (l)* (J)*
B 0.1277 2.,314 B-+X,
x lE+ 0 500.07 z 1.632° I 0.1406 0.0005
I o.4
1 2.205

c•2•>Sb 315 (µ = 25.2855155) JUL 1977

-1
Additional unassigned emission bands (both V and R shaded) in the region 12000 - 28500 cm (1)
G (.380) H (4.4) G-+ (X), R 24626. 0 H (1)
27026.6 H

F (296) H F~X, R
27406. 0 H (l)*
28664. 0 H

E (442) H E~X, R 26248.3 H

(l)*
26720.4 H

(J89) H D~X, R 24310.4 H

{l)*
D
-
c (J90) H C-+ X, R 2)249-3
25996.4
H
H
(l)*

B (397) H (16.5) B-+(X), R 22517. 2 H (l)*

-
A (J41) H A+-tX, R 19472.6
22278.9
H
H
(l)*

x 2n (470) H (1.6)
r (480) H (1.2)

c111) Sb cso> Se (µ = 48.1137170) JUL 1977

D
c
43756
(41600)
J65.?4 H 0.76 I
Unassigned V shaded bands 40700 - 42500 cm- 1 •
Df-X,
Cf- X,
v 43776
v
H (1)
(1)
B )6041 418.0 H o.48 B~ X, v 36087 H (1)
A 28965 221.8 H 1.0 A'-- X, R 28913 H (1)
x 0 )26.1 H 1.04
 State Te we we x e Be ae De re Observed Transitions References
(10- cm- 1 ) (R) Design.
I voo

<121) Sb c13o>Te (µ = 62.6217319)

0
Do = 2.8 eVa JUL 1977
A 43553 314.5 H o.48 A':- X, v 43568 H (1)
x 0 284.4 H 0.20

SbO (continued)1 SbP1 aThermochemical value (mass-spectrom.) (2).

gCalculated from the origin of the 2-0 band ( 121sbO). b6G(3/2)= 395.6; strong perturbations in v=O and 1 make the
hA-type doubling in 2rris Av= o.107(J+i). c
evaluation of equilibrium constants not very meaningful.
2
weye = +0.0025.
(1) Sen Gupta, IJP 1J, 145 (1939).
(2) Sen Gupta, IJP 11, 216 (1943). (1) Yee, Jones, Kopp, JMS ]], 119 (1970).
(3) Lakshman, ZP 12§., 367 (1960). (2) Kordis, Gingerich, JPC 1£, 2336 (1972); JCP 5.§., 5141
(4) Lakshman, ZP 12§., 386 (1960). (1973).
(5) Shimauchi, SL 2, 109 (1960). (3) Jones, Flinn, Yee, JMS ..2£, 344 (1974).
(6) Rao, Rao, CS Jl, 310 (1968).
SbS1 (1) Shimauchi, Nishiyama, SL 11, 76 (1968).
(7) Rai, Upadhya, Rai, JP BJ, 1374 (1970).
(8) Rai, Rai, Rai, CJP ~' 592 (1974). SbSe, SbTea
8.rhermochemical value (mass-spectrom.) (2), recalculated
with the revised value for the dissociation energy of Te 2 •
(1) Sharma, PPS A 66, 1109 (1953).
(2) Porter, Spencer, JCP _lg, 943 (1960).

575
 576
State Te w w x Be «e De re Observed Transitions References
e e e
(10-7 cm- 1 ) (i) Design. 1 voo
1rs Sc µ = 22.4779587 Di= 1.65 eVa MAY 1975
2

1t- 5 Sc 35 Cl µ = 19.6692074 0
Do = (J.4) eV MAY 1975
y x + 27189.7 482.7 HQ 2.5 y-+x,a v 27202.0 HQ (2)
x x 458.2 HQ 2.8
22461.0 H~
e (Jn) e-+ d, v 22361.5 HQ (1)(2)
d + 22260. 0 312.5 HQ 0.55 22267.6b H
d (JI:) d 297.3 HQ 0.61
13096.1 H
c (36) a+ lJllJ.8 J55.9 H 2.18 c~ a, R 13092.4 H (1)(2)
13090.7 H
12596.2 H
b ( J~) b~a, R 12567.6 H (1)(2)
12537.6 H
a ( Jt.) a 398.J H 1.36
F ( 1Il) Jl249.9 364.7 H l.O F_. X, R Jl208.8 H (1)(2)
E ( 1E+) 27033.3 472.1 H l.J2 E~X, R 27045.8 H ( 1)( 2)
D ln 21521.1 373.1 HR 1.6 [0.1569]C [1.6] [2.337] D-+ X, R 21484.o HR ( 1) (2)
B ln 17613.3 374.3 HR 2.3 [0.1551] 0 [1.1] [2.351] B-+ X, R 17576.6 HR (1)(2)
A l;::+ 12431.2 373.9 H 0.9 [0.1574] [1.1] [2.333] A_.. X, R 12394.7 H (1)(2)
x l;::+ 0 447.4 H 1.8 0.1725 0.0010 [1.1] 2.229
aThermochemical value (mass-spectrom.)(1)(2). ScC£1 aUnidentified system.
bp head at 2226J.l cm- 1 •
(1) Verhaegen, Smoes, Drowart, JCP 40, 2J9 (1964).
(2) Verhaegen, PhD Thesis, University of Brussels (1965) cSmall .1\.-type doubling.
[quoted by Drowart in "Phase Stability in Metals and (1) Shenyavskaya, Mal'tsev, Gurvich, VMUK 22(4), 104
Alloys"; Rudman, Stringer, Jaffee, Eds.; McGraw-Hill (1967)
(1967)]. (2) Shenyavskaya, Mal'tsev, Kataev, Gurvich,
OS(Engl. Transl.) 26, 509 (1969).

577
 578
State Te w wexe B
e lXe De re Observed Transitions References
e
(lo- cm-1 ) (i) Design.
l voo

ti-sSc'9 F µ = 13.3546988 Dao= 6.li eVa MAY 1975

H ln 1 co. 3671Jb I
I
[1.854) H+--+X, R 38806.1 z (5)(9)
I
0-0 sequence of V shaded absorption bands. Complex structure. v 35942.0 HQ (5)(9)
G ln 35009 [570] H [o.378]bc [1.827] G4<-+X, R 34926.7d z (1)(2)(5)
3¢ [0.3463] [1.9092] 27202.2 z
3 4 g+- a, z
g .4i3 [0.3441] [l.915) R 27171.1 (5)
3¢
2 [0.3413] [l.9231] 27138.2 z
F ln 26891.5 [565.3] z (3.1) o.3461e 0.0025 1.9093 F+- X, R 26809.6 z (2)(5)
Complex group of R shaded absorption bands. R 26300 (5)
Strong 0-0 sequence of V shaded bands. f v 21927 H (5)(7)(9)
E ln 20383.5 622.1 z 3.7 I o. 363obc 0.00296 1.8643 E~X, R 20326.8 z (2)(4)(5)(7)
(Jn )
2 [o.3677]b [1.8523] 18361.4 z
d (Jn ) d+- a, R 18336.0 (5)
1

c 12:+ 16164.? 589.6 z 2.64 0.3473 0.0024 1. 9065 c~x, R 16092.0 z (2) (4) ( 5)
3~4 a + 15356.9
3
0.3545 0.00310 1.887 0 15317.6 z
c 3~ g a 2 + 15316 .8 570.4 z 2.96 [0.3511] [1.8961] c~a, R 15277-5 z ( J) ( 5) ( 7)
3 3 z
~2 a 1 +15273.6 [0.3490] [1.9013] 15234.4
B ln g
10735.49 586.25 z 2.015h 0.3431 01 o.0026
2
j 1. 9181 B.-x, R 10661. 25 z (4)(5)(10)
31::,. a3 649.11 z 0.3706 0.00258 1.8456
3 3 g k
a /::,.2 a2 648.98 z 3.03 0.3665 0.00254 1.8559
31::,. al 648.91 z 0.3623 0.00250 1.8666
1
X 12:+ 0 i, 735.6 z 3.8 0.3950 0.00266 1. 787 7
ScF: aThermochemical value (mass-spectrom.)(8). ScF (continued) 1

bPerturbations. (1) Gurvich, Shenyavskaya, OS(Engl. ·rransl.) 14, 161

cB values are for the f levels.
(196J).
dFrom (2); J4920.7 in (5) appears to be a misprint. (2) Barrow, Gissane, Le Bargy, Rose, Ross, PPS .§.],
eA-type doubling twfe = + 0.002lx J(J+l).
889 (1964).
fThe authors of (5) assume the bands to arise from a
(3) Barrow, Gissane, PPS 84, 615 (1964).
transition J6~a J6 with nearly equal coupling con- (4) McLeod, Weltner, JPC 1..Q, J29J (1966).
stants in both states. The upper state, then, has ( 5) Barrow, Bastin, Moore, Pott, Nature fil, 1072
w = 724.7, w x = J.64. The system was also observed
(1967).
i~ emission b; ( 7) who interpreted it as Jn__,. JI: with (6) Carlson, Moser, JCP 46, J5 (1967).
w'e = 591 • O' w'x' e e = 1.98.
e e = 2.7J, w"e = 514.1, w"x" (7) See ref. (1) of ScC!.
Neither (5) nor (7) give enough details. (8) Zmbov, '.fargrave, JCP !±1, Jl22 (1967).
gFor a reassignment of molecular orbital configurations (9) Barrow, in DONNSPEC (1970).
see (11). (10) Barrow, Pedersen, JP B 1, Lll (1971).
hw e y e = - o.063J. (11) Scott, Richards, CPL 28, 101 (1974).
(v=O) = + 1.115}
i A-type doubling 6v (v=l) = 0 • 714 x 10-JJ(J+l)
fe { (v=2) = ++ o.452
(v=3) = + O.Jl5
j re =+ 3. 2 5 x 10 - 5 •
kTheoretical calculations by (6) put the a 36 state at
461 cm- 1 and the corresponding 1 6 state at 2612 cm-l
above X 1 I:+.
ZThat X 1 I:+ is the ground state is strongly suggested by
the fact that only B<:- X, c~ X, and E<:- X, but none of the
triplet systems, were observed in matrix absorption at
4 K (4).

579
 580
State w wx Observed Transitions References
e e e
Design. l v 00

µ = 0.98572711 OCT 1977

µ = 1. 92773633
Weak emission bands in the green ( "-17900 cm- 1 ) and near infrared (11800 - 12300 cm- 1 ); (4)*
absorption bands of complex structure in the region 17690-18350 cm-1 ; no analysis. (l)*
Theoretical calculations (2)(3) predict a 1 E+ or 36 ground state, and a dissociation energy of "-'l.8 eV.

(µ = 16.70169197) 1 JUL 1977

A single progression of absorption bands starting at 22644 cm- 1 with a spacing of 460-490
cm-1 and tentatively assigned to set has been observed in the flash photolysis of s 2ct 2 (1).

4ssc•6o µ = 11. 797477 57 Dg = 6.96 eVa JAN 1977 A

B 2E+ 20645.1 825.47 z 4.21 [ o.483oa]bc 0.0032 [6.74] [1. 71986] B~X, d R 20571.15 z (1) {2) (3) (4)*
(5)* (6)* (7)*
(8)(14)(15)*
A 2n 16547.0e 876.of H 5.00 [o.50277]g (0.0037) [6.54] [1.68585] A+-+X, d R 16498.13h z (1) (2)* (3)
r (4)* (5)* (6)*
(7)* (8)(14)
(16)(18)*
A' 2A r 15135·9 i 845. H 4.9 A'-+X,j R H (21)
15029. 8 9
x 2E+ k 0 [964.95] z 4.2 0 H [o.51343]tc 0.0033 [5.85] ESR sp.m

45Sc315 µ = 18.6841468 n0O = 4 .9 2 ev a JAN 1977

B 2E 12497.6 488.2 H 2.0 I I 1· B-.X, R 12459.0 H (4)
Emission bands in the region 11000 - 12600 cm- 1, v• numbering unknown.
A 2n
{ Progression of absorption bands in Ne matrix, 11100- 12500 cm- 1 ,
tentatively attributed to ScS (2).
A-+ X, R (11150)
(11040) (4)

x 2E 0 565.2b H 1.8 l l l ESR sp.c


(1) Smith, PRS A J..1?., 113 (1973).
(2) Scott, Richards, JP B z, 1679 (1974).
(3) Kunz, Guse, Blint, JP B ~' L358 (1975).
(4) Bernard, Effantin, Bads, CJP 2.2, 1654 (1977).
SC!1 (1) Donovan, Husain, Jackson, TFS 64, 1798 (1968).
Sc01 aThermochemical value (mass-spectrom.)(11)(12)(13).
bSpin-splitting constant io = (-)0.0670.
cPotential energy curves (20).
dintensity distribution (19)(22)~
eA 0 = +115.33; slight J dependence.
fcorrected for head-origin separations.
gA-type doubling in 2n112 , 6vfe(v=0) = -0.0655(J+i) + ••• ,
and in 2n [see (18)j.
312
hJ'=-! (average of F 1 and {F 2 }) relative to N"=O. The sub-
band origins <{J'=O} relative to N"=O) are at 16440.61
and 16554.83 cm- 1
iTe in good agreement with theoretical predictions (9)
(21).
jObserved in the "single-collision" Sc+ o2 chemilumi-
nescence spectrum.
k 2
The E character of the ground state was theoretically
predicted by (9) and experimentally verified by (10)(14)
[ESR spectrum and matrix absorption].
1 Large magnetic hyperfine structure, 4b = +0.254 (15)(18)
[see also (10)(14)].
min rare gas matrices (10)(14)(17).
(1) Johnson, Johnson, PRS A lJl, 207 (19Jl).
(2) Meggers, Wheeler, JRNBS §, 239 (19Jl).
(3) Jevons, "Band Spectra of Diatomic Molecules", Phys,
Soc. London (1932).
Seo (continued)1
(4) Piccardi, GCI .£.:2, 127 (1933).
(5) Gatterer, RS 1, 153 (1942).
(6) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
(7) Rkerlind, AF 22, 41 (1962).
(8) Ortenberg, Glasko, Dimitriev, SAAJ ~' 258 (1964).
(9) Carlson, Ludena, Moser, JCP ~' 2408 (1965).
(10) Kasai, Weltner, JCP ~' 2553 (1965).
(11) Ames, Walsh, White, JPC .zl, 2707 (1967).
(12) Coppens, Smoes, Drowart, TFS QJ., 2140 (1967).
(13) Drowart, Pattoret, Smoes, PBCS No. 8, 67 (1967).
(14) Weltner, McLeod, Kasai, JCP 46, 3172 (1967).
(15) Adams, Klemperer, Dunn, CJP 46, 2213 (1968).
(16) Athenour, Bacis, Femenias, stringat, CR B £Z.1, 567
(17) Mcintyre, Lin, Weltner, JCP ..2§, 5576 (1972). I (1970),
(18) Stringat, Athenour, Fem6nias, CJP ..2Q, 395 (1972).
(19) Femenias, Athenour, Stringat, CJP ..s.g_, 361 (1974) 1
jJ, 2353 (1975) (erratum).
(20) Narasimhamurthy, Murthy, Prama~a £., 269 (1974).
(21) Chalek, Gole, JCP £2, 2845 (1976),
(22) Femenias, Goure, Stringat, CJP 2.2, 180 (1977).
aThermochemical value (mass-spectrom.)(1)1 (3) give a
ScS 1
slightly lower value.
bIR spectrum in Ar matrix at 4 K gives 6G(!)= 554 (2).
cin Ar matrix at 4 K (2).
(1) See ref, (12) of Seo.
(2) See ref. (17) of Seo.
(3) Tuenge, Laabs, Franzen, JCP £2, 2400 (1976).
(4) Stringat, Fenot, CJP ...2!±., 229J (1976).
581
 582

State Te w w x Be ae De re Observed Transitions References

e e e
(lo- 8 cm- 1 ) (i) Design.
l voo

4-5 Sc tso>se (µ = 28.7711254) 0

Do = J.96 eVa MAY 1975

4sSc (13o>Te (µ = JJ.)980444) 0

Do = J.05 eVa MAY 1975
·-·
sose2 µ = )9.9582627
0
Do , see
a I.P. = 8.88 evb JUL 1977
F (lu) (55421} [430.2] H (F<E- x 2 ) V 549)2.8 H {lJ)
E o+ 54752.5 403.9 H 1. J 0.0924 0.00033 2.137 E*-X ,c V 54249 (lJ} (22)
u 2
Ef-X 1 , V 54761. 7 H (13)
D (lu) (5J07.5) [426.2] H [0.0965] [2.091] Df- x , d v .53096.1 H (lJ)*
1
+ H Diffuse bands c ~x , v
c2 3E- Ou (.53324) [414] 2 1 .53339 H (lJ)
cl u lu 53220.5 428.0 H 1.22 0.09664 0.00033J 2.0894 c ~x , v
1 2 .52730.9 z (lJ)*
246.42 8 z 1.225 o.07086fg (2) h
B2 ~X 2 , R 25478.2 j
i
(5)
I
B2 lu 26058.6 0.000553 2.4400
3E- {21)(22)
u B2-+ X1. R 25989.2
o+ 25980.36 246.29lek z 1. 016! o.07048m 0.000345 (4) 2.4466 B1 -+ x2 , R 25399.8 (21)(22)
Bl u
B1 ~x 1 , J. R 25910.84 z ( .5) *
X2 lg 510.on )87.156° z 0.9640° 0.09019°P 0.000299° (2) 2.1628
Ji:- t
g o+ 0 )85.JOJ z o.9636 q 0.08992 o.000288r 2.4s
xl g 2.1660
3

ScSe1 aThermochemical value (mass-spectrom.)(1)(2).
(1) Bergman, Coppens, Drowart, Smoes, TFS 66, 800
(2) Ni, Wahlbeck, HTS 1, J26 (1972).
ScTe1 aThermochemical value [(l), no details].
(1) See ref. (1) 'of ScSe.
aFrom the predissociation in B1 O+ (see m) three possible
spectroscopic values for the dis~ociation energy of 80se 2 ,
(1970). i.e. ng=
J.410 , J.163 8 , J.096 4 eV, can be derived depen-
5
ding on the assumed atomic states at the observed predis-
sociation limits. (5) prefer ng=
J.164 eV on the basis of
indirect spectroscopic arguments. However, both photo-
ionization (10)(24) and thermochemical studies [mass-spec-
se 2 (continued)1
trometry (6)(9)(12), Knudsen-torsion effusion (8)1 see
also (11)(17)] strongly favour the higher value ng=
3.411 eV.
bPhotoionization mass-spectrometry (10). From the photo-
electron spectrum (23) derive adiabatic and vertical
ionization potentials of 8.70 and 8.89 eV, respectively.
cThis transition is much weaker than E~x •
1 3p1 • There are many rotational perturbations and several
dThe assumption (lJ) that this transition is c 1 +-x 1 has
been withdrawn (22) since it gives the wrong x1 - x2
splitting.
eVibrational analysis confirmed by isotope investigations
fAverage value, Be(F ) - Be(F 2 ) = +0.00038. j (5).
3
gRotational perturbations1 a tentative analysis (18) of
+ component was
these and similar perturbations in the Ou
based on an erroneous value of the O~ - lu splitting.
Predissociation in v=5 at J=72(F ) and 73(F 2 )r bands with
3
v'=6 have not been seen.
hLifetime er(v=0,J=l05) = 58 ns, from Hanle effect measure-
ments (19)(20) combined with experimentally determined
. Land~ g 3 factors (20)(25).
1
Various proposed other "systems" in the region 14500-
18500 cm- 1 (1)(4) have been shown (5) to belong to the
main B- X system. (18) have extended the rotational ana-
lysis of the 7 8se 2 bands to higher values of v".
jExtrapolated from bands having v" ~ 8, using lower state
constants of (14).
kThe B1 O~ state has a substantial potential maximum arising
from an avoided crossing with a repulsive O~ state. The
interaction strongly affects vibrational levels above v=l5;
the theoretical discussion by (16) predicts irregular level
shifts and widths above the crossing point.
tweye = -0.00549.
mSharp predissociation limits occur for v=4(J=l06), V=5(J=
82), v=6(J=50), leading to a dissociation limit at 27508
cm- 1 above x1 O+(v=O), and for v=lJ(J=96), v=l4(J=78), V=
15(J=50), leadi~g to a dissociation limit at 29498 cm- 1
( 5) attribute the former to Jp + Jp , the latter to 3p +
2 1 1
accidental predissociations; see also g•
nFrom (22) whose measurements of fluorescence series in the
range 66 v"~ 12 lead to /w = +509.95 + 2.125 6 (v+!) for the
separation of the rotationless lg and o; substates.
0
constants apply to 8 6 v 6 29.
PAverage of F 2 and F , Be(FJ) - Be(F 2 ) = +0.00006.
3
qw y = -0.000818 4 •
r e e -7
t e = -6 • 1 x 10 •
s -8
f3e = -o.023x10 •
tFor a theoretical calculation of the magnetic moment of
se 2 , consistent with experimental results, see (20a).
(1) Rosen, Monfort, Physica ], 257 (19J6) •
(2) Shin-Piaw, AP(Paris) (11) 10, 173 (19J8).
(J) Migeotte, BSRSL 10 (12), 658 (1941).
(4) Leelavathi, Rao, IJP Z2., 1 (1955).
(5) Barrow, Chandler, Meyer, PTRSL A 260, 395 (1966).
(6) Berkowitz, Chupka, JCP !±5_, 4289 (1966).
(7) Drowart, Goldfinger, QR 20, 545 (1966).
(8) Budininkas, Edwards, Wahlbeck, JCP 48, 2867 (1968).
(9) Colin, Drowart, TFS 64, 2611 (1968).
(10) Berkowitz, Chupka, JCP .iQ, 4245 (1969).
(11) Meschi, Searcy, JCP ..21, 5134 (1969).
(12) Uy, Drowart, TFS £2, 3221 (1969).
(continued p. 585)
583
 584
State Te w w x
e e Be «e De re Observed Transitions References
e
(10- cm-1 ) (i) Design. l voo

cso>Se2+ (µ = 39.9581255) 0
Do = 4.38 eVa JUL 1977
"1
D ( 2Il ) 41210
u
c (2E-)g 35650
B (2Il ) (Jl620)
u
b (4E-) 27260 > From the maxima of the observed photoelectron peaks (2); vibrational structure unresolved.
A (2Ilg) 19200 Additional partly resolved peaks in the region J,7.3- 20.6 eV above X 3z::; of se 2 (2).
a c 4n~) 14440
2
x2 Ilga 1940
2 2'.
X1 rrgi 0

sose2- µ = 39.9583998 JUL 1977

A ( 2n u ) (16173) 216.7 0.615 } Constants for sez ions dissolved in KI crys-
tals, from fluorescence and absorption spec-
Ao(:-+ X, 16192a
16040 (2)(4)(5)

x ( 2n g ) 0 3JO.J o.86 tra studied at 2 K (4) (5). Raman sp.b (3)

EPR sp. b (l)

cao>se<79>8r (µ = )9.7071461) JUL 1977

a
B (x + 46158) [390] H B2+- x2 , V 46195 H (1)
2(2Il) a
Bl 47227.3 392.5 H 2.0 B1 +- Xl' V 47265 H (1)
x x
2( 20 .)
Xl l. 0 Jl6.9 H 0.7

cso>se<ss>Cl (µ = 24.3250212) JUL 1977

A ( 211.)
l.
. [595] H Single progression consisting of seven bandsb; vi- A+-X,a R 27116 H (1)
x (2n.)
1
0 brational numbering uncertain.
 State Te w w x Be cxe De re Observed Transitions References
e e e
(10- cm- 1 ) (R) Design.
l voo
cso>se •9F (µ = 15.)494168)
0
DO = (J.21) eVa JUL 1977
x 2
ni ob (757)a l [0.3624]
1 1 [1. 7408] ESR sp.c (1)(3)

Se 2 (continued)1 aSplitting due to the crystal field, not spin-orbit coup-

(13) Barrow, Burton, Callomon, TFS 66, 2685 (1970).
(14) Barrow, Beattie, Burton, Gilson, TFS 21_, 583
(15) Tatum, Watson, CJP !±2., 2693 (1971). I
(1971).
(16) Atabek, Lefebvre, CPL 11, 167 (1972).
(17) Smoes, Mandy, Auwera-Mahieu, Drowart, BSCB 81,
45 (1972).
(18) Yee, Barrow, JCS FT II 68, 1181 (1972).
(19) Dalby, Vigue, Lehmann, CJP ..2J, 140 (1975). SeBr1
(20) Gouedard, Lehmann, CR B 280, 471 (1975).
(20a)Bilchler, Meschi, JCP .2.J., 3586 (1975).
(21) Gouedard, Lehmann, JP B 2, 2113 (1976). SeCi.1
(22) Greenwood, Barrow, JP B 2, 2123 (1976).
(23) Streets, Berkowitz, JESRP 2, 269 (1976).
(24) Radler, Berkowitz, JCP 66, 2176 (1977).
(25) Gouedard, Lehmann, JP(Paris) ~' L-85 (1977).
se 2+1 aValue obtained by photoionization mass-spectrometry
(1), consistent with the highest of three possible SeF1
spectroscopic values for ng(se 2 ) [see a of se 2 ].
(1) See ref. (10) of Se2"
( 2) see ref. ( 2 3) of Se 2 •
S eF ( cont ' d) : (3) Brown, Byfleet, Howard, Russell, MP£], 457 (l97 2 )•
(4) O'Hare, JCP 60, 4084 (1974).
bin NaI and KI crystals. j ling.
(1) Yannotti, Morton, JCP !±1, 4210 (1967).
(2) Rolfe, JCP !±2., 4193 (1968).
(3) Holzer, Murphy, Bernstein, JMS J..g, 13 (1969).
(4) Ikezawa, Rolfe, JCP ..2§., 2024 (1973).
(5) Vella, Rolfe, JCP 61, 41 (1974).
aObserved in the flash photolysis of se 2Br 2 •
(1) Oldershaw, Robinson, TFS Qz, 907 (1971).
aObserved in the flash photolysis of SeCi. 2 • The assignment
of this spectrum to SeCi. is not certain; it is assumed
that only one component of 2 n- 2n is observed because of
large doublet splitting in the lower state.
bThe first and last bands of the progression are diffuse.
(1) Ciach, Power, Thistlethwaite, CPL 2, J49 (1971).
aTheoretical estimate (4).
bA 0 (observed) ~ -560 (1), A0 (calculated) -1790 (J).
cµei. = 1.52 D (2). Magnetic hfs parameter, rotational and
third-order g factors (J).
(1) Carrington, Currie, Miller, Levy, JCP iQ, 2726 (1969) •.
(2) Byfleet, Carrington, Russell, MP 20, 271 (1971).
~

585
 586
State Te w Observed Transitions References
e
Design. 1 voo

(80lSe'H {µ = 0.99527385) D g= (J. 2 ) e Va I.P. = (9.8) evb JUL 1977

F Weak diffuse band. F+- x1 , 71190 (5)
E Diffuse band. E+- x1 , 69604 (5)
D Strong diffuse band. D+- x1 , 66814 (5)
c Strong double-headed band. C+- x1 , R 55797 HQ (5)
A (2L:+) (31500) [12J2] (H) (172)c Diffuse bands. A+- Xl' R 31048 (H) (2)
2 (1815)d
X2 /1;2 (2400)c ESR sp.
f (1) (J) (4)
xl flJ/2 0

cao>se1H (µ = 1.96458951) °
D0 = (J.2) eva JUL 1977
A (2z+) (31490) [959] (H) (87)c Diffuse bands. A~X
1 , R 31178 (H) ( 2)
2 (1815)d
X2 2n1;2 ESR sp.g (J)(4)
xl nJ/2 0

cs 0>Se 1H- I.P. = 2. 21 evd JUL 1977

µ = 13.3274823 8 OCT 1977

A large number of V shaded emission bands in the region 40000- 55000 cm- 1 has tentatively been assigned to five
or six systems with upper state vibrational frequencies ranging from l'V940 to rv lOJO cm- 1 and lower state con- (2)* (8)*
stants similar to those of the ground and first excited states of Seo.
c (0) 35484
c ...+x 2 , R 35156 H
581 H J.5 3
3 CJ-+ x 1 , R J5JlJ H
c 2 ( Jn i ) ( 1 ) 35405 585 H 4.1 (10)*
c ~x , R
cl -
( 2) - - 2 2 35075 H
c2 ~ xl, R 35240 H
B2
Jl:- {l
(34376) [517.5] z [o.3417]cd 0.0407 1.869 B2-+X2, R 34012.2 z
o+ a (l)(J)
Bl J4277.8 522.3 z 3·9 [O.JJJ2]d 0.0292 1.907 B1 ~xl' R 34081.8 z
A' (17J64)e 885.2 H 5.85 A' -+X,f R 17349 H ( 6)
 State

80
Se' 60
Te I
(continued)
we x e

r- De
(10-7cm- 1 )
re
(R)
Observed Transitions
Design.

A3-+Xz, v
I voo

1664oh H
References

AJ (2) ( 1677J) [980] H A2-+X2' v 16334h H

A2 (Jnr)(l) 16458 996 H 7.0 [(o.47 0 )] g [ ( 1. 64) J A2-t x1, v 16495h H (11)*
Al ( 0) 16144 994 H 6.5 Al -+Xz, v 16015h H
Al -+Xl' v 16185h H

b 12:+ 9723.5 838.8) {Z) 5.11 [o.4560] (0.0035) [BJ

b-+X 2 , R 9519.1 z (7)* (9)(12)*
[1.6655]
b-+ x 1 , R 9685.4 z
a lei (5JOO)i [o.461] [1.656] ESR sp. j (4)
X2 3 - {l 165.9 915.43k z 4.52 o.4738! 0.00339 1. 6339
2: a+ 5 ESR sp.m (4)
xl 0 914.69k z 4.52 o.4655 0.00323 1.6484

se 1H, Se 2H, se 1H-1 Se01 aEmission bands with v'> 2 have not been observed, probably
aExtrapolation of the vibrational levels in A 22:+ assu- owing to predissociation. The limit is at IV 35600 cm- 1
ming dissociation of th.is state into 2s + 1D. above x 1 (v"=O).
bFrom Rydberg assignments of (5); doubtful. bFrom the predissociation in B JE-; see a
c Average of F and F , B (F ) - B (F ) = +0.0052.
cFrom isotope relations between SeH and SeD. 2 3 0 3 0 2
dFrom the photodetachment spectra of SeH- and SeD- (6). dRotational perturbations (1).
eA-doubling frequencies (3). e(6) give 17338. which does not agree with their v 00 value.
5
fµel = o.49 D (4). 7 7se hf coupling (J). It is not clear whether x1 or x2 is the lower state of this
gµel = 0.48J D (4). 77se hf coupling (3). system.
f(6) considered the upper state to be b 1 2:+, but v 00 appears
(1) Radford, JCP 40, 2732 (1964). too high for this interpretation.
(2) Lindgren, JMS 28, 536 (1968). gFrom P,Q head separations.'
(J) Carrington, Currie, Lucas, PRS A Jl.2, 355 (1970).
~Extrapolated from bands having v"=J.
(4) Byfleet, Carrington, Russell, MP 20, 271 (1971). iTheoretical estimate (9).
(5) Donovan, Little, Konstantatos, JCS FT II 68, 1812 . 1
Jµel(a ti) = 2.01 D, from Stark effect on the ESR sp. (5)~
(6) Smyth, Brauman, JCP 2§., 5993 (1972). (1972).
(continued p. 589 )

587
 588
State Te w w x
e e Be ae D
e re Observed Transitions References
e
(lo- 8crn- 1 ) (.R) Design. 1 voo

1ase315 µ = 22.6698689 D00 = (3.7) eVa JUL 1977

(28330) b [ 0.1349] c [2.J48] B2-E- x2 , R 28011 ( 2)
B2 [327.56]
J}:-g+ z 9
Bl 28248.2 [330.82]d (2.92) 0.1369 0.00121 2.JJl B1 t- Xl' R 28138.46 z (2)
A o+ 27328.4 JJ2.ldf (2.66) 0.1186 8 f 0.00095 2.504 Af- X1 , R 27216.5 (Z) (2)
205g z h
32:-{ ~+
X2 556.26 l.8Jl 0.18121 0.00089 7 2.0257
xl 0 555.56d z 1.848 0.17926 0.00076 6 2.0367

sose325- µ = 22.83624 JUL 1977

A ( 2TI) ~e constants refer to SeS- ions dissolved A-+ X, 17768.1 (2) (4)
n KI crystals; from fluorescence spectra
x ( 2n) 0 468.9a udied at 2 K (4). Raman sp.b (3)
EPR sp. b (1)

31519F µ = 11. 9170627 D00 ,..,

'- J.J eVa JUL 1977
A2 2 {1/2 483b H 2.6b A2f- x 2 , R 25205 H
(2)
Al n J/2 488 H J.l (0.554)c 0.004 (1.59 8 ) A2+- x1 , R 25606 H
A1+- X1 , R 24995 H (2)*
x2 2 {1/2 (40l)d
xl n J/2 0 [0.5521740] 1.600574 Microwave sp. e (4)
ESR sp. (l)(J)
Seo (continued): SeS (continued):
kFrom B~x bands with v" ~ 51 vibrational numbering con- (1) Drowart, Goldfinger, QR 20, 545 (1966).
firmed by isotope studies. (2) Ahmed, Barrow, JP B 1, 2256 (1974).
t Average of F and F , B (F ) - B (F ) = +0.0048 (12).
2 3 0 3 0 2 SeS-1 aA Raman frequency of 464 cm- 1 in KI has been observed
mHf coupling of 77se (4).
by ( 3).
(1) Barrow, Deutsch, PPS 82, 548 (1963). bin KI and NaI crystals.
(2) Haranath, JMS 1.J, 168 (1964).
(1) Yannotti, Morton, JCP !±1., 4210 (1967).
(3) Haranath, IJPAP J, 75 (1965).
(4) Carrington, Currie, Levy, Miller, MP l..Z, 535 (1969). (2) Rolfe, JCP .!±.2_, 4193 (1968).
(5) Byfleet, Carrington, Russell, MP 20, 271 (1971). (J) Holzer, Murphy, Bernstein, JMS J.g_, lJ (1969).
(4) Ikezawa, Rolfe, JCP ...2§, 2024 (1973).
(6) Kushawaha, Pathak, SpL j, 393 (1972).
(7) Azam, Reddy, CJP ..21, 2166 (1973). SF: aFrom the predissociation in the A (-x 1 bands; see c.
1
(8) Reddy, Azam, JMS ~' 461 (1974). bFrom the A 2 ~x 2 progression1 slightly different numbers
(9) Barrow, Lemanczyk, CJP jJ, 553 (1975). are obtained from A2 +-x 1 • The assignments of both pro-
(10) Verma, Azam, Reddy, JMS ...2§, 367 (1975). gressions are tentative.
(11) Verma, Azam, Reddy, JMS .§..2, 289 (1977). cOnly BJ= 0.540 and B = 0.532 have been measured. Indi-
(12) Verma, Reddy, JMS §1, 360 (1977). 5
vidual rotational lines are diffuse for v·~ 3. Bands with
v·~ 7 are very diffuse.
SeS: aEstimate based on a Birge-Sponer extrapolation of the
ground state vibrational levels (2); see also (1). dBased on the assignments of progressions A2 (-x 2 and
bt-.G(3/2) = 328.9 ; see c. A2 ~ x1 ; from the ESR spectrum ( 1) derive A0 = -J87 ± 25.
5 eµet(v=O) = 0.79 4 D (4); (J) obtain 0.87 D. Hfs parameter
cB 1 = 0.1305' B2 = 0.123. Extensive perturbations by states
a+~(b+c) = 428.6
having !l = 1 or 2. 0 MHz (1)(4).
dVibrational numbering confirmed by isotope studies. (1) Carrington, Currie, Miller, Levy, JCP .2.Q, 2726 (1969).
eStrong mutual perturbations between B and A as well (2) Di Lonardo, Trombetti, TFS 66, 2694 (1970).
as other perturbations in ·B. (J) Byfleet, Carrington, Russell, MP 20, 271 (1971).
fOnly v'=3 and 4 have been analyzed, t-.G(7/2)= 310.79. (4) Amano, Hirota, JMS !±.2, 417 (197J).
gEstimated from the magnitude of the.fl-type doubling1
see h.
hBe(F ) - Be(F 2 ) = +0.00063.
3

589
 590
State T w we x e Be ae De re Observed Transitions References
e
e
(lo- 4 cm- 1 ) (i) Design. l voo

3251H µ = 0.97702732 D00 = 3.5 5 eV ab I.P. = l0.4J evcb JUL 1977

H 26. [9.46] [1.J51J H~ X, 80847.5d ( 7)
G 2tl [9.01] [1. 384] G+- X, 79J43.3d (7)
F 21::, [9.19] [l.37o] F+- X, 76707.9d ( 7)
E 22: [9.076] [LJ78 8 ] E+- X, 71317.7d (7)
21::, [6.1] d (7)
D [9.215] [1.3684] D+- X, 71194.72
c 21::, Weak diffuse band near 1561 R; sharper in SD. C+- X, (64060) ( 7)
B 2E (59641) [2557.03] z (56.8)e 8.785 0.259 [8.2] 1.4014 B+- X, R 59621. 71 z (7)
A 2r;+ (31038) 1979.8 z 97.65 8.521fg o.46 4h 6.J6i 1.423 0 A~X, j R 30662.42 z (2)* (4)* (11)
j,
x 2n. l
Ok (2711.6)~ (59.9),e [9.461 1 ]m (0.270) [4.80] 1.3409 Vibration sp.n (12)
Hf A-doubling sp. op (18)(19)
EPR sp.q (5)(6)(1.J)
(16)(17)

3152H µ = 1. 89474169 D0O = J. 6 0 eV ab I.P. = 10.43 evcb JUL 1977

H 21::, H+- X, 80858d ( 7)
G 26. [4.96] [1. .3J9] Gf- X, 79Jl9.8d (7)
21::, [4.74] F-+- X, 76717.4d (7)
F [1. 37 oJ
E 2E [4.7J9] [1.35] [1. J702J E+- X, 71J27.7d (7)*
21::, [4.745] [0.70] 71205.39d (7)*
D [1. J693] D+- X,
d
c 26. [4.693] [1. .3769] C+- X, 63872.40 (7)
B 2E 5958lr [1859.16] z (29.J)e 4.532 0.105 [l.J5] 1.4011 B+- X, R 59566.39 z (7)*
2r;+ 1417.0 z 48.85 4.392 5 o.172t u A~ X, j R 30769.49 z (2) (4)* (11)*
A Jl0J9 1. 76 1.4233
x 2n. av [1885.5] z {JO. 9) w [4.900 ]m 0.100 [1.J5] 1.3406 Vibration sp.n (12)
l 3
HfA-doubling sp. x (19)
EPR sp. (5)
s 1H, s 2H 1
3From an extrapolation of the vibrational levels in A 2 ~+ doubling transitions in 2 rr ,J=3/2 occur at 111.4862 (F=
312
to the limit 1D+ 2s (4); consistent with the observed pre- 1-1) and 111.5452 MHz (F=2- 2), in J=5/2 at 442.4781 (F=
dissociation in A 2 ~+. Photoionization mass-spectrometry 2- 2) and 442.6277 MHz (F=J- 3); these observations super-
of H2s (9) gives D0°(s 1H) = 3.67 eV (recalc. using updated sede earlier predictions (6)(16)(17) from EPR measurements.
auxiliary data). See also (20). PµeL(v=O) = 0.7580 D (18)(19). Stark effect in EPR spectrum
bBoth Di and I.P. refer to the lowest existing molecular (8)(13a) yields the less accurate value 0.62 D. Predicted
level, in agreement with definitions but contrary to the dipole moment function (20). Theoretical charge distri-
values given by (4) and (7), respectively, which refer to butions ( 10).
the zero-point of the Hill-Van Vleck expression for the qFor EPR ~p. of J3sH and 33s hf interaction see (14).
ground state. rLarge electronic isotope shift.
cExtrapolation of a short Rydberg series (7). sSpin splitting constant ro = +0.163. The lines of the 2-0
dThe v 00 values refer to the zero-point of the Hill-Van Vleck absorption band are diffuse.
expression for the lower state and are exclusive of the J in-
t
r.
u e
-0.005.
-4
dependent terms -BA2 in the upper states, contrary to de- foe= +o.1 0 x10 •
finitions normally adopted in these tables. Only the X 2 rr vA 0 = -376.7 (2). Taking into account higher order correc-
312 5
subbands have been observed. tions (15) derives A0 = -378.32 (and B0 = 4.899, D0 = l.3x
eFrom isotope shifts. lo- 4 ).
fspin splitting constant fo = +0.313. wEstimates by (2) and (11).
gThe rotational lines of bands having v• ~ 1 are increasingly xµeL(v=O) = 0.7571 D (19).
diffuse. (1) Leach, CR .£1Q, 2181 (1950).
hr. = -0.022. (2) Ramsay, JCP 20, 1920 (1952).
i e -4
.f-le = +o.6 0 x 10 • (3) Nicholls, Fraser, Jarmain, McEachran, ApJ lJ.1, 399
Jobserved in absorption (flash photolysis of H2s and D2s) by (4) Johns, Ramsay, CJP J.2., 210 (1961). I(1960).
(2)(4), in matrix absorption by (12), and in emission by (5) McDonald, JCP J.2., 2587 (1963).
(1)(11). Franck-Condon factors (3). (6) Radford, Linzer, PRL 10, 443 (1963).
kA = -376.9 6 (2). On the basis of certain higher order cor- (7) Morrow, CJP 44, 2447 (1966).
0
rections (15) gives A0 = -378.5 (and B0 = 9.465, D0 = 4.7x (8) Carrington, Levy, Miller, JCP 1..Z, 3801 (1967).
3
!From the constants for SD (11). I lo-4 ). (9) Dibeler, Liston, JCP 12,, 482 (1968).
mA-doubling and hfs parameters (19). (10) Cade, Bader, Henneker, Keaveny, JCP 2Q, 5313 (1969).
nin argon matrices at 20.4 K. (11) Pathak, Palmer, JMS J,g, 157 (1969).
0
Molecular beam electric resonance study. The strongest A- (continued p. 593 )

591
 592
State Te w w x Be «e De re Observed Transitions References
e e e
(lo-5cm- 1 ) (.R) Design.
l voo

32s1H+ 0
Do = J.4 8 eva JUL 1977
Theoretical predictions of several excited states {J)(4).
A Jn.
1
b [7.474 Jc [62.7] [1.520]d Ae~x, R 29911. 71 f z (1)
7
x JL:- 0 [9.1J4 0 ]g [48.9] [l. J744]

3151H- 0
Do= J.79 eva evb
I.P. = 2.Jl JUL 1977
9
The analysis of the shape of the photodetachment cross section curve (2) leads to ground
x lL:+ state constants which are indistinguishable from those of s 1H (x 2 n), confirming theoretical
predictions by ( 1).

2.sSi 2 µ = 1J.988464J D00 = J.21 eva AUG 1977

p Jn .
g,1
b
{ Only v=O observed. I
[(0.224)]
c
[(2.J2)]
P~D,
5JlJ2.4
R 5Jl?J.5
5J219.2
H
H
H
(4)*

0 JL:- 5JJ95-5 8 404.2 H J.O 0.2225 O.OOJ [ o. 050] 2.J27 O+- X, R 5JJ41.94 z (4)*
u
N JL:- 46789.1 0 458.6 H 4.8 0.219J 0.0025 [0.02J] 2.J44 N~ X, R 46762.21 z (J)* (4)*
u
L J ng,i x+28629d [494] H [0.2J70] [2.255] L~D,e R 28602.2f (l)* ( 6)
K JI:-u J0794.o 462.6 z 5.95 H 0.2186 o.OOJ16 2.J48 K~ X,g R J0768.8h (J)*
H JE- 24429.15 275.Joi z 1.99 o.1712ij 0.001J O.OJO 2.65J H+--tX,g R 24Jll.J2 i z (l)* (J)* ( 6)
u 5
D Jn u, J.. xk 547.94 z 2.4J 0.2596 0.00155 2.155 (D~ X)i, (J47J0)1. (5)
x JL:-g 0 510.98 z 2.02 0.2J90 0.001J 0.021 2.246
5
s 1H, s 2H (continued)1
(12) Acquista, Schoen, JCP 21, 1290 (1970).
(13) Uehara, Morino, JMS ]£, 158 (1970).
(13a)Byfleet, Carrington, Russell, MP 20, 271 (1971).
(14) Miller, JCP ..2!±, 1658 (1971).
(15) Veseth, JMS JSi, 228 (1971).
(16) Brown, Thistlethwaite, MP~' 635 (1972).
(17) Tanimoto, Uehara, MP~' 1193 (1973).
(18) Meerts, Dymanus, ApJ ~' L45 (1974).
(19) Meerts, Dymanus, CJP 21, 2123 (1975).
(20) Meyer, Rasmus, JCP .2..J, 2356 (1975).
S 1H+ 1 aD g( S1H) + I. P. ( S ) - I. P. ( S1H) •
bA 0 = -216.5 (l); see also (2).
cEffective B value; for A-doubling constants see (1)(2).
dFrom the "true" B0 = 7. 47 2 ( 2).
eLifetime T(v=O) = 1090 ns (5).
fEffective value (l); the "true" origin is at 29911.28
cm-l (2), the subband origins at 29675.55, 29912.81,
30141.71 cm- 1 (1).
g Spin splitting constants AO= '\ Do
+5.71 0 , = -0.l 6 cm -1 •
(1) Horani, Leach, Rostas, JMS £.}, 115 (1967).
(2) Horani, Rostas, Lefebvre-Brion, CJP !±.5., 3319 (1967).
(3) Cade, CJP 46, 1989 (1968).
( 4)Liu, Legentil, Verhaegen, in "Selected Topics in Mole-
cular Physics" (ed. Clementi), p. 19, Chemie GmbH (1972).
(5) Brzozowski, Elander, Erman, Lyyra, PS 10, 241 (1974).
s 1H-1 aFrom Dg(s 1H) and the electron affinities of s 1H
bFrom the photodetachment cross section (2).
(1) Cade, JCP !±1., 2390 (1967).
(2) Steiner, JCP !±2, 5097 (1968).
Si 2 1 aFrom the observed predissociation in H (J) and thermo-
chemical data [mass-spectrom.{2), recalc.(3a)].
bA = -28.2.
cSpin splitting constants A0 = -6.68 (slight J dependence),
'fo = +O. OJO.
dA = -22. 6 (from A" and the observed subband origins).
eThe 3n 0 subbands are essentially complete, but only frag-
ments of the other subbands have been observed.
fAverage of the 3n 0 and 3n 2 subband origins. (1) gives
28059.1 which refers to the 0-1 rather than 0-0 band.
gAlso observed in rare gas matrices (Jb)(5).
hExtrapolated from the origins of the 1-0 and 2-0 bands.
.The 0-0 band (vH = 30771) is completely diffuse.
1
Corrected vibrational numbering of (6).
jThe rotational lines of absorption bands having v'=6 are
diffuse, indicating predissociation above 25877 cm- 1 •
Higher levels have not been observed.
kA = -71.6 (from the effective B values).
!Progression of absorption bands in argon matrix, 34700 -
36300 cm- 1 ; tentative interpretation (5).
5 (1) Douglas, CJP J1, 801 (1955).
(2) Drowart, De Maria, Inghram, JCP ..£2_, 1015 (1958).
(J) Verma, Warsop, CJP 41, 152 (1963).
(Ja)Verhaegen, Stafford, Drowart, JCP 40, 1622 (1964).
(3b)Weltner, McLeod, JCP 41, 235 (1964).
(4) Lagerqvist, Malmberg, PS~' 45 (1970).
(5) Milligan, Jacox, JCP .if, 2594 (1970).
and s. (6) Dubois, Leclercq, CJP !±.2,, 3053 (1971).
593
 594
State Te w w x Be t\'e De re Observed Transitions References
e e e
(lo- 7cm- 1 ) (i) Design. 1 voo

<29 >Si <79 >Br (µ = 20.6547281) SEP 1977

Fragments of two other emission systems ( 30100 - 31500, 34900 - 36900 cm -l) tentatively
(2)
assigned to SiBr or SiBr+. I
Additional absorption bands at 45762, 46266, 46343, 46693, 47445 cm -1 (9)
(F)
(44560)
[505]a H
I I (F)~ X, 45017
(44201)
H (9)
E 44521 552 H 1.5 Bands with v'=l and 2 are diffuse. E~ X, v 44585 H (9)
D 44017 [565]b H D+- X~ -
v 44088 H ( 9)

c (2Il) 41060 53lc H 2.0 c~x,

40690~
v 41104 H ( 9)
41051
( 2z::) 2.4 de B~X, v 33223.1 (l)* (3) (5)
B 33572.4 571. 2 H
33645.1
H
(9)
B' ( 21'.\) 23911 4 B'~X, R 23473 HQ (7)
23889 395 H
23874
A (2l:) (20428)
20937·6 250.3 H 0.5 A-+X, R
20850.9 H
(7)(8)
x 2n r 423-1 f 424.3 H 1.5
e
0

c2s)Si 79Br+ SEP 1977

A
x
28 12
Si C
29005.4
0
428.7
535.8

µ = 8.39792238
H
H
6.9
1.6
I
D00 = 4.6 4 eVa
1 l A-+ X,g R 28950.5 H (4)

AUG 1977 A
No spectra have yet been conclusively assigned to SiC. The following constants are from ab
initio calculations (3)1
a lz::+ (6628) (1018) (0.695) ( 1. 70)
A 3'"'-
L. (5597) (606) (0.556) ( 1. 90)
x Jn. ob (98J) (0.606) (l.82)b
1
 State Te w we x e Be ere De re Observed Transitions References
e
(1 - 7 cm- 1 ) ( )l) Design.
I J voo

2s5i 3sc1 µ = 15.5422824 SEP 1977

F F~ X, 45968 H (12)
46179
E E~ X, 45169 H (12)
45J75
D 4494J.9 659.4 H J.8 D~X, v 44798.1
45005.§
H ( 1) ( 12)

c 2n 41177-2 674.2 H 2.20 [o.2888]a 0.0009 2.4 1.936 C~X, v 41039-9 H

(l)* (10)
41165.7 41235. 0 (12)
d
B' 2t::,. 35631.0b 511.1 z 5.6 0.26187 0.00243 [ J.59]C 2.0352 B'~X, J5411.25d z
VR 35617.85 (4)(6)* (9)

SiBr, SiBr+: SiBr, SiBr+ (continued)1

aOnly two bands; it is not certain that they belong to
the same system.
bit is possible that the v'=l progression is in fact a
separate system D'~X.
cVibrational numbering uncertain.
dEmission bands with v' > 2 have not been observed.
e(6) report the following rotational constants for the
2 SiC:
B-X bands: B0 = 0.1771, B0( nJJ = 0.1598. See also
2
(10) who give considerably different results.
fFrom (5); (3) prefer a doublet separation of 418.0 cm- 1
leading to slightly different constants.
gBr isotope shifts clearly observed.
(1) Miescher, HPA §, 587 (1935).
(2) Asundi, Karim, PIASA Q, 281 (1937).
(3) Jevons, Bashford, PPS 49, 554 (1937).
( 4) Kuznetsova, Kuzmenko, Kuzyakov, OS (Engl. Transl.) 24,
4J4 (1968).
(5) Kuznetsova, Kuzmenko, Kuzyakov, VMUK £3.(J), JO (1968).
(6) Kuznetsova, Kuzyakov, VMUK 24(6), 103 (1969).
(7) Kuznetsova, Kuzyakov, ZPS lO(J), 413 (1969).
(8) Rao, Haranath, JP B £, 1J81 (1969).
(9) Oldershaw, Robinson, TFS§]__, 1870 (1971).
( 10) Mishra, Khanna, IJP 46, 1 ( 1972).
aThermochemical value (mass-spectrom.)(l).
b(2) assumes a 1 I: ground state and estimates r = 1.65 )l from
e
an extrapolation to SiC of the shortening of Si-0, Si-N
single bonds in the corresponding diatomic molecules.
(1) Verhaegen, Stafford, Drowart, JCP 40, 1622 (1964).
(2) Lovas, ApJ 12J, 265 (1974).
(3) Lutz, Ryan, ApJ IB, 753 (1974).
SiCi: aFro~ (10); rotational analyses of a few additional sub-
bands reported by (lJ).
(continued p. 597 )
595
 596
State Te w wx Be De re Observed Transitions References
e e
I
(Xe
e
(lo-?cm- 1 ) (.i) Design. voo

2sspsc1 (continued)
B 2}:+ 34108.6 706.6e H 3.9e [0.2784]f o.0017f 1.8 B~X,g V 33987.1 z (l)* (2) (3)
1.971 34193.6 (4)(5)(12)
(16)
A 22: 23113.9 [294.95] z 0.73 H 0.1986 0.0007 [2.9Jh 2.337 A,X, R
22788.0 z (7)* (15)*
22994.7
x 2n 206.6~ 535.60 z 2.168 j o.2561k 0.0016 2.51. 2.058
r 0
-
28Si '9F µ = 11. 3148108 D00 = 5.5 7 eva I.P. = 7.2 8 evb SEP 1977
Theoretical studies of low-lying valence states (22).
I [52834] I,X, v 52J25c H (5)
52489c
H (2l:+) (52095) [1022] H H-+ X, 52098C
v 5226oc H (5)
(G) (51941) [1008] H (G-+x) 51938c
v 52098C H (5)
F [52195] F-+ X, v 51685C
51851C H (5)
E [51650] E,X, 51143c
v 51J02c H (5)
Unassigned V shaded bands in the region 476 39 - 48 325 cm- 1 • (4)
D 2}:+ 47418.6 lOOJ.2 5.64 0.625 0.0055 1.544 D-7X, v 47491.4d (4)(5)*
D' 2n 46612.5e 10J2.9 5.28 o.6329f 0.0044 1.5343 D' ~B, ( 12061. 8) (6)
D' -tA, v 23912.6 (1)(6)
UV £ bands
D' -tX, (46700.2) (6)
c 2Il
I 41964.7g lOJl. 8 4.45 o.6376f 0.0039 1.5286 C''A, v 19264.5
Green e. b. (1)(6)
c· ,x, (42052.1) (6)
c 26 39438.oh [878.38] z 5.s 1 o.60338j 0.00539 [12.l]k 1.57137 c,x,l v 39454.14 z (2)(5)(11)*
0 bands
 ,_.. ___
State Te w w x
e e Be ae De re Observed Transitions Reference s
e
(10-7 cm- 1 ) CR) Design. __ L v 00

2s5·l 19F (continued)

B 2l:+ 34561.5 1011.23 z 4.825 o.62707j 0.00462 10.1 1.54140 B-+A,m v 11850.84 z (5)*
B°' X, n v 34638.5 (l)* ( 2) (1 2)
fa bands
a 4l:- 29805.06 863.16 z 5.370 0.57862° 0.00502 10.5 1.6046 a-+x,P 29807.89 z
'l. bands
(7)* (20)*
A 2l:+ 22858.3 718.58 z l0.167q o.57839rj o.00941s 15.7 1.60496 At<E-+X,u R 22787.64 z (l)* (J) (5
~Ol.bands
x 211 ov 857.19 z 4.735 o.5812 wj 0.00494 10.7 1.601
r 1
-
SiCl (continued): SiCl (continued):
bAo= +3.772 [or -2.729, see (6)]. (5) Ovcharenko, Kuzyakov, OS(Engl. Transl.) 11, J62 (1962).
c D = 3. 90 x 10 -7 • (6) Verma, CJP 42, 2345 (1964).
1
dThe origins refer to the zero-point of the Hill-Van Vleck (7) Sanii, Verma, CJP ~' 960 (1965).
expression for the upper state and to the hypothetical (8) Cordes, Gehrke, ZPC (Frankfurt am Main) 21., 281 (1966).
J"=O levels in the lower state. (9) Ovcharenko, Kuzyakov, Tatevskii, OS(Engl.Transl.)
eCorrected using calculated head-origin separations (5). Suppl. 2, 6 (1966).
fAverage values of (J) and (16). See also (8)(11). (10) Ovcharenko, Kuzyakov, OS(Engl.Transl.) 20, 14 (1966).
gFranck-Condon factors (14). (11) Mishra, Khanna, CS ..2§., J61 (1969).
~l = l.9X 10-7. (12) Oldershaw, Robinson, JMS J§., J06 (1971).
1
Av= +207.21- o.32v; small J dependent terms have been de- (13) Pandey, Upadhya, Nair, IJPAP 2, J6 (1971).
termined for v=5 ••• 10 (15). (14) Singh, Dube, IJPAP 2, 164 (1971).
jw y = +0.0053. (15) Singhal, Verma, CJP !t2,, 407 (1971).
k e e 2
A-type doubling AV( rrt) = 0.005(J+~) (15)(16). (16) Rai, Singh, Upadhya, Rai, JP B 1, 415 (1974).
1
foe = -0.09 x 10-7. SiF: aThermochemical value (mass-spectrom.)(9).
(1) Jevons, PPS 48, 563 (1936). bExtrapolation of a short Rydberg series B,D,H, ••• (5); the
(2) Barrow, Drummond, Walker, PPS A §.Z, 186 (1954). value of (5) has been slightly modified in accordance with
(J) Ovcharenko, Tunitskii, Yakutin, OS(Engl. Transl.) 8, 393 the definition of the I.P •• (9) give an electron impact ap-
(4) Thrush, Natur~ 186, 1044 (1960). I c"i°960). (continued p. 599)

597
 598

io-~:m-1 )I
State Te w w x Be ae re Observed Transitions References
e e e
l(
I I
(~) Design.
l voo

28
S11H µ = 0.97278226 D0° f 3. 06 0 eVa I.P. ~ 8. 04 evb AUG 1977
E 2.z+ l53411. 2] Only V=O observed l7-528] [3.92] [1.5172] E~ X, v 52399.19 z
(10)*
D 2(). [49522.1] Only v=O observed [7.9o]c D*- X, v 48510.l z
(5)(10)*
[1.481]
B 2L:+ [31842.2] Only v=O observed [6.62]de B+- X, R 30830.zd z
(5)* (13)
[1.618]
c 2.z+ l31832.4] Only one level observed [l.17]d [3.85] c~x, R 30820.4d z
(5)(13)
"Slightly diffuse" weak absorption bands in the region 25600 - 26700 cm- 1 • (4)
A 2(). 24300.4f 1858.90g z 7.4664g 0.3445h [5.24]i Aj~X, k R 24193.04 z (l)* (2) (5)*
99.175 1. 52347
x 2n
r
o,e 2041. Bog z 35.51 7.4996gm o.219on [3.97] 1. 52010 1
Extensive
(6) (10)
theoretical calculations 0

Si 1H, Si 2H1
aFrom the predissociation in B 2 .z+ assuming dissociation h
'{" = -0.04185·
.oe 4 4
into 1D+ 2s at the predissociation limit (5). According ~D 1 = 6. 08 x lo- , D2 = 7. 36 x lo- •
to (2) extrapolation of the vibrational levels in A 2 t:. J(ll) gives a radiative lifetime of 0.7 µs for both SiH and
gives very nearly the same limit. SiD corresponding to f 00 = 0.0037 (16); see also (17).
bFrom Dg(si 1H), I.P. (Si), and D0°(si 1 H+) ( 12). kPotential functions, Franck-Condon factors ( 15) ( 16). 6). I(
1
cincreasing diffuseness with increasing N on account of A = +142.83, A = +14J.43, A = +144.04. Slight J dependence
0 1 2
predissociation. mFor A-doubling constants (p 0 = 0.0819, q 0 = 0.00831) see (6)
dDeperturbed constants of (13) whose T0 values correspond (20); the extrapolated splitting of the v=O, J=! level is
to v 00 + 1079.5 [see (6)]. As in similar cases, v 00 refers t:.vfe = +0.0978 cm- 1 (2932 ~ 20 MHz) (20); ab initio calcu-
to the zero-point of the Hill-Van Vleck expression for lations (19) predict 0.1057 cm-1 (3168 MHz).
the ground state. Interaction parameter HB,C = 16.1 cm- 1 • n
oe = +0.0017.
0
The v numbering of the C level is uncertain. Hartree-Fock wavefunctions and energies (8), charge dis-
estrongly predissociated above N=2. tributions (9), spectroscopic constants (18).
fA 0 = 3.58, A1 =3.11, A2 = 2.59 (6). Discussion of second (References on p.601)
order spin-orbit splittings (14).
gRecalculated (10) from data for v=0,1,2 (6).
SiF (continuad)1
pearance potential of 7.5 eV: ab initio calculations pre- vA 0 =+161.88, A1 =+162.04, A2 =+162.19 (20), see also (11).
dict 7.4 eV (19). Small J dependent terms have also been determined.
cQl and P 2 heads. (The head designations in Table 4 of (5) WA-doubling constants Po= -0.00299 [i.e. ~vfe( 2 nt) ~
are erroneous.) -o.003o(J+~)], q 0 =-l.06x10-5 (20).
dAccording to (4) the 0-0 Q1 and P 2 heads are at 47569.2
(1) Johnson, Jenkins, PRS A 116, 327 (1927).
and 47408.9 cm- 1 ~ respectively.
(2) Asundi, Samuel, PIASA], 346 (1936).
eA ~ O.
(3) Eyster, PR 21, 1078 (1937).
f(6) give A-doubling constants.
(4) Dovell, Barrow, PPS A 64, 98 (1951).
gA = 16.54·
(5) Johns, Barrow, PPS 11, 476 (1958).
h(ll) assume a regular state with A0 =+2.46 and A =+2.35.
1 (6) Barrow, Butler, Johns, Powell, PPS 1J., 317 (1959).
iFrom (5); Pekeris' relation gives 7.01 (11).
(7) Verma, CJP 40, 586 (1962).
jRKR potential curves (10).
(8) Hougen, CJP 40, 598 (1962).
k
D1 = lJ.5x 10 -7 •
(9) Ehlert, Margrave, JCP 41, 1066 (1964).
iFranck-Condon factors (14).
(10) Singh, Rai, IJPAP ~' 102 (1966).
mFranck-Condon factors (18).
(11) Appelblad, Barrow, Verma, JP B 1, 274 (1968).
nFranck-Condon factors (13)(18); variation of transition
(12) Singh, Singh, CS l..Z, 8 (1968).
moment with r (16).
(13) Mohanty, Singh, IJPAP 1, 109 (1969).
spin splitting constants A.0 = +O. 274, t'o = +O. 00188; ( 20)
0
(14) Singh, Maheshwari, IJPAP 1, 708 (1969).
find that the 4 ~ levels can be fitted with one ~-type
(15) Kuzyakov, Ovcharenko, Kuz'menko, Kurdyumova, ZPS 12(3),
doubling parameter rrather than the two proposed by (8)
555 (1970).
to account for earlier results by (7).
(16) Kuz'menko, Kuzyakov, Smirnov, ZPS 1](4), 616 (1970).
PTwo short 0-0 sequences of headless bands centred at 29728
(17) Kuz'menko, Smirnov, Kuzyakov, VMUK £2(3), 357 (1970).
and 29890 cm- 1 • Franck-Condon factors (21).
(18) Wentink, Spindler, JQSRT 10, 609 (1970).
qw e y e = +0.157.
(19) O'Hare, Wahl, JCP ...22, 666 (1971).
rSpin splitting constant lfo = -0. 0062 5"
(20) Martin, Merer, CJP 21, 634 (1973).
s6e = +0.00013.
(21) Singh, IJPAP 1], 204 (1975).
tRadiative lifetime 't'(v=O) = 0.23 µs (23).
(22) Bialski, Grein, JMS 61, 321 (1976).
uObserved in absorption in a shock tube experiment (15).
(23) Davis, Hadley, PR A 14, 1146 (1976).
Franck-Condon factors (18). Electronic transition moment
(15), variation with r (17).

.599
 600
State Te w
e w
ex e Be ere De re Observed Transitions References
(lo- 4 crn- 1 ) (.R) Design. l voo

2s5i2H µ = 1. 87884152 Dg6 3.09

5
evP AUG 1977
E 2E+ [53111. 85] [3.9161] [1.028] [1.51365] E(- X, v 52381. 75 z (10)*
D 2/). [49255.6] [4.009] [l] [1.496] D+- X, v 48525.5q z (5)*
c 2E+ [31728.2] [1.09]r [2.87] C-<- X, R 30998.lr z (13)
B 2E+ [31634.9] [3.703ys [J.4Y [1. 5566] B-f- X, R 30904.8r Z {5)* (13)
A 2/). 24313.8t 1328.08g z 48.11 3.868og o.1318u [1.379]v 1.52304 A~X, R 24235.66 z (5)* ( 6)
x 2n r ow 1469.32g z 18.23 3.8840gx o.0781Y [1. 054 J 1.51989

28 Si 1H+ D00 = 3.17 ev a

l AUG 1977
A ln

l°
25846.1 [390.17] z (72.o)b 4.9125C 0.7667 [19.92]d 1.8782 A-7X,ehR 25025.20 z (l)f
x lE+ 0 2157.17 z 34.24 7.6603 o.2096g l 3. 83g 1.5041

28 Si 'H- D0 6 2.95 2 eVa I.P. = 1.277 evb AUG 1977

b lE+ [8460] (2100) 0
(l.50) 0

a 1/). [4580] (2100)c (1.50)c

x 3E- [o] (2175)c ( 1.474) c

2s5;, 1211 µ = 22.9233294 D00 = 3.0 eVa SEP 1977

Unassigned absorption bands in the region 41500 - 43600 cm -1 • (4)
F
(E)
I
Diffuse bands, assignment uncertain.
F+- Xl'
(E+- X)
v 44995
(44104)
H (4)*
(4)*
D D+- Xl' v 42859 H (4)*
c 42711 486 H 3.5 v=2 diffuse. C+- Xl' v 42772 H (4)*
B 2E 32380.3 471.7 H 0.9 All levels predissociated.b B~ x ,
1 v 32434.3 H (1)(3)*
A 2E 21204.9 208.6 H l.66c d A+- x1 , R 21127.2 H (3)*
a ( 4 E~)
.2
x+20289.7 275.7 H 5.6 [(0.118)]e I [(2.50)] a~ x ,
2
f R 20246.9 H (2)* {J)*
Si 1H, si 2H (continued)1 Si 1H, Si 2H (continued)a
PFrom the value for Si 1H, confirmed by the observed pre- (19) Wilson, Richards, Nature~' 133 (1975).
dissociation in B 2r+. (20) Freedman, Irwin, AA 2], 447 (1976).
qRecalculated from the data of (5).
r Deperturbed constants of (13) whose T values correspond aFrom a short extrapolation of the vibrational levels in
0 bEstimated from Pekeris' relation (1). A ln (1).
to v 00 + 797.50 [see (6)]. Interaction parameter HB c = c
5.87 cm- 1 • See d. ' From average Bv values for the two A-doubling components;
:Increasing linewidth above N=8 indicating predissociation. B(P,R) - B(Q) = +0.0062 and +0.0156 for v=O and l, resp
d -4 ••
D1 =17. 89 x 10 • In both v=O and 1, rotational levels
A = 3.45, A1 = 3.42, A2 = 2.14 (6); see also (14).
u 0 having J ~ 9 cannot be represented by short power series
fe = -0. 0101.
4 in J(J+l).
VDl = 1. 524 X 10-4 , Dz= 1. 708 x 10- •
eAlso observed in the solar spectrum (2). On the basis of
wA 0 = +142.73, A1 = +143.10, A2 = +143.76; slight J dependence
I
x(6) give J\.-doubling constants (p= 0.039, q= 0.0024). (6). this observation (3) obtain foo= 0.0005; see, however, (5).
fTable IV as well as eqn.[J] and eqn.[5] of (1) contain
t
Y e = -0. 0009.
several errors which were later corrected in an un-
(1) Rochester, ZP 101, 769 (1936). published erratum.
(2) Douglas, CJP J2, 71 (1957). gre=+o.0045 , /3e=-o.05x10- •
4
(3) Barrow, Deutsch, PCS (1960), p. 122. 5
hPotential functions, Franck-Condon factors (4)(5).
(4) Thrush, Nature 186, 1044 (1960).
(5) Verma, CJP 1:..:2, 2136 (1965). (1) Douglas, Lutz, CJP 48, 247 (1970).
(6) Klynning, Lindgren, AF ]J, 73 (1966). (2) Grevesse, Sauval, AA 2, 2J2 (1970).
(J) Grevesse, Sauval, JQSRT 11, 65 (1971).
(7) Cade, PPS .21,, 842 (1967).
(8) Cade, Huo, JCP !!1., 649 (1967). (4) Rao, Lakshman, Physica 2£, J22 (1971).
(9) Cade, Bader, Henneker, Keaveny, JCP jQ, 5313 (1969). (5) Liszt, Smith, JQSRT 12, 947 (1972).
(10) Herzberg, Lagerqvist, McKenzie, CJP !!1., 1889 (1969). aFrom D 0~si 1 H) and the electron affinities of Si and si1H.
(11) Smith, JCP ..21, 520 (1969). b
From laser photoelectron spectroscopy (1). See also
(12) Douglas, Lutz, CJP 48, 247 (1970). ref. (7) of si 1H.
(13) Bollmark, Klynning, Pages, PS J, 219 (1971). cFranck-Condon analysis of the photodetachment sp. (1).
(14) Veseth, Physica 2£, 286 (1971).
(1) Kasdan, Herbst, Lineberger, JCP 62, 541 (1975).
(15) Rao, Lakshman, Physica 2£, 322 (1971).
(16) Smith, Liszt, JQSRT 11, 45 (1971). SiI1 aExtrapolation of the vibrational levels in A 2 r ( J). An
(17) Grevesse, Sauval, JQSRT 11, 65 (1971). upper limit of 4.02 eV follows from the prediss. in B 2 r.
(18) Meyer, Rosmus, JCP 2.J., 2356 (1975). (continued p. 603 )

601
 602
State Te w w x B lXe De re Observed Transitions References
e e e
e
(lo- 6 cm- 1 ) (i) Design. l voo

is5i1211 (continued)
2
x2 2nJ/2
X1 Il1;2
xg
0
359.0
363.8
H
H
1.1
1.25 . I[, o•12}) Jh
I I
[(2.45)]

2s5i ,,,.N µ = 9.33213399 SEP 1977

The emitter of the Woods band at 26017 cm -1 (J) has been shown (11) to be SiO+ and not SiN
as suggested by (9).
L 2n. a+(J266l)a [718]b H [o.549]b [1.8l4]b L-+A, R 32491~ H (14)
J. 32508
2n. z (1) (6) (lJ)
D l.
a+27865.6C 699.33 J.48 o.523sd 0.0041 1.0 1.8571 D~A, R 27693.8 z (14)*
K 22: a+25718. 2 1142b z 11.5 o.677 b 0.005 1. 633b K-+A, v b z (14)*
5 25765.7
22:+ 1031. OJ z 16.85e o.723sfgh 0.01048 B~X,i R z (1)(2)* (4)
B 24299.21 1.5 1. 5793 24236.47 (10)(14)
A 2Il. ajk 1044.41 z 6.20.£, 0.67516 0.00538 1.10 i.6357 0
l.

x 22:+ 0 1151.36 z 6.47m o.7311noh 0.00565 1.2 1.5719

SiN 1 aA :::: -72. hPotential curves (7), see also (14).

bVibrational numbering unknown; the lowest observed level iThe 0-0 sequence was wrongly attributed to SiO+ by (8), see
is arbitrarily assumed to have v=O. the correction by (9). Measured relative intensities,
cThe observed spin-orbit coupling constants vary from Franck-Condon factors, r dependence of the transition
AJ"" -60.42 to A = -6J.49 (14). moment (5) (12).
7
dPerturbations in v=J by a L: state (13)(14). j(l4) estimate a:::: 8000.
ew e y e = +0.15,
· weze = -0.011. kThe observed spin-orbit coupling constants [A ••• A (14)]
1 5
f (11) give the spin splitting constant to=
+o. 0020 but are approximately given by Av= -89.54+ o.27(v+~).
(14) change this to -O.OOJ4. 1,weye -0.011·.
m
gNumerous perturbations; for a summary see (14). weye = -0.007.
SiN (continued)1
n(ll) give the spin splitting constant fo= +0.0153 [see (6) Schofield, Broida, PP~, 989 (1965).
also (9)(10)] but (14) change this to -0.0172. (7) Singh, Rai, IJPAP 1, 102 (1966).
0
A small perturbation in v=8 probably arises from inter- (8) Nagaraj, Verma, CJP 46, 1597 (1968).
action with A 2n (14). (9) Dunn, Rao, Nagaraj, Verma, CJP !±1, 2128 (1969).
(10) Dunn, Dunn, CJP 2.Q, 860 (1972).
(1) Mulliken, PR 26, 319 (1925).
(2) Jenkins, de Laszlo, PRS A 122, 103 (1929). (11) Singh, Bredohl, Remy, Dubois, JP B £, 2656 (197J).
(J) Woods, PR .2.J., 426 (194·J). (12) Gohel, Shah, IJPAP 1J, 162 (1975).
(4) Thrush, Nature 186, 1044 (1960). (lJ) Linton, JMS 2.2, 108 (1975).
(5) Stevens, Ferguson, CJP 41, 240 (1963). (14) Bredohl, Dubois, Houbrechts, Singh, CJP j!±, 680 (1976).

SiI (continued) 1

bThe bands become progressively more diffuse with in-
creasing v' (J).
cweye = +0.079, weze = -0.0055.
dOnly the 7-0 and 8-0 bands of A+-X 1 have been analyzed
(J), B' ~ 0.085. Of the six expected branches only four
have been observed; R11 and QP 21 (i.e. Ree and Pff)
lines are absent. Extensive perturbations by levels of
a 4 L~ state; see e.
2
eAs a full rotational analysis of the emission bands
[called A'~X by (J) and A-+X by (2)] was not possible,
the nature of the a state is not known. (J) suggests
that this is the same 4 L~ state whose higher vibrational
2
levels ( 6G ~ 176, B ~ 0. 097) have been identified in per-
turbations of A 2 L(v=7,8).
fA much weaker system reported by (2) at 650 cm- 1 to the red
of the main system was not confirmed by (J). Transitions to
or from x1 2 rr~ have not been observed.
g(J) assumes x~ 700 cm- 1 • Tentative assignments of weak ab-
sorption bands would give x = 649 ( J) or 7 57 cm -l ( 1) •
hEstimated by assuming the same percentage decrease in bond
length from HSiI to Sil as from HSiCt to SiC£ (J). Thero-
tational analysis of the A~X 1 7-0 and 8-0 bands gives
B"-lp"l/2 = 0.10987 and D"=2.lxlo-7.
(1) Oldershaw, Robinson, TFS 64, 2256 (1968).
(2) Lakshminarayana, Haranath, JP BJ, 576 (1970).
(J) Billingsley, JMS !±J, 128 (1972).
(4) Oldershaw, Robinson, JMS 44, 602 (1972).

603
 604
State Te w w x
e e Be ae De re Observed Transitions References
e
(lo- 6 cm- 1 ) (i) Design. l voo

2s5116Q µ = 10.1767076 1 °
n0 = 8.26 eVa I.P. = 11.43 eV b AUG 1977 A
Theoretical potential curves and spectroscopic constants for the ground and several valence-
excited states (19a)(46).
p ll:+ ( 5p6') 82019 [1121.5] z [0.692] c P+-X, d R 81960.3 z (24)*
[1.547]
ln [82208.1] [ o. 556] e O+- X, R 81588.8 z (24)
0 [1.726]
N ln (812J2) [(1024)] [0.635] f N+- X, R 81124.8 z (24)
[1.615]
M ln 81203 [o.64o] g M~X,d 81000.5 z (24)
[8JJ] [1. 609] R
1L:+(5s6") 80783 [1102.2] z [0.701] h L+-X, d z (24)*
L [1. 537] R 80715.J
K lE+ 78369 [905.8] z i [0.615] i K""" X, d R 78202.6 z (24)
[1.641]
1 n (4p'lr) 76381 [1146] [0.6983] j J+- x, d R 76334.J z (24)*
J [1.5402]
h Jn. (7079o)k (4Jl)k B1 ~ o.589k r ~1.67
1 l 1, 1,
1 7 (JJ)
I n (70510) [878.9] z [0.614] [1. 643] I~ X, R 70JJJ.7 z (24)
1 L:+(4p6') 69727 z 0.7146 o.0094m H~ X, d R 69662. 26 z (24)* (JJ)*
H [1109.25] 1.5225
1, 1,
G ln (69670) [862.8 8 ] z [0.6292] [1.2] [1.6226] G+- X, R 69483.06 z (24)*
F 1L:+(4so) 68532.0 1120.00n z 7.J45n [0.6938] 0
[1.5452] F+- X, d R 68470. 9 z (2)* (24)*
0
Many unidentified emission bands in the region 21800 - Jl500 cm- 1 • (47)
z
g Jl:+(4s5)[68091.4] [ o. 71588] [1.42] [1.52116] g~b, v {33567.95
JJ6J9.01 z (J5)*
JJ?ll.59 z
{59283.l {25146.6 H (18)* (J7)
f Jn. 59260.8 488.4P J.4 o.586P 0.0145 J 1.681 f~b, R 25051. 7 H
l
59236.3 H (47)*
24956.7
JI;(+) {23498.05 z (11)* (J5)
c 57551. J 949.10 H 17.JO o.684lq 0.0079 1.7 1.5561 c-+ b, VR 23569.11 z (47)
23641.69 z
E ll:+ 52860.9 675.52 z 4.204 0.54727r o.00555S l.4J4 t Eu.o!.--7-X,v R 52578.31 z (15)* (36)
1. 73978 (47)*
Si01 aAverage of several thermochemical determinations; see
the summary in the Appendix of (JO), also (5)(25).
bAverage of the values obtained on the assumption that
F,L, ••• and H,P, ••• are the first members of two Rydberg
series converging to X 2 L+ of SiO+ (24)(J2). The electron
impact appearance potential is 11.58 eV (8)(16).
cOnly V=O and 1 observed; B1 = 0.703. Both levels are
perturbed.
dCorresponding data for Si 18 o and confirmation of the
vibrational numbering (J2).
eOnly one strongly perturbed level observed, vibrational
numbering uncertain.
fv=l diffuse. Vibrational numbering doubtful.
gOf the two observed levels only v=O has been partially
analyzed.
hv=O strongly perturbed. Only fragments of the 1-0 band
observed, B1 = 0.67. The 2-0 band at 1207 R (82850 cm- 1 )
has very broad lines.
iHigher
.
f1G and Bv values (v 6 5) are irregular.
Jv=O strongly perturbed; v=l observed but not analyzed.
kv=l observed in a perturbation of H lL+(v=l); A ~ -J6.
1
Slightly different constants are given by (48a)s T9
70826, A1 = -JJ.2, we= 414, B1 = 0.5763.
~The G and I states interact strongly. Higher 6G and Bv
values are irregular. The vibrational assignments of
(24) have been revised by (J2) to account for isotope
shifts; the vibrational numbering of the I state is
still in doubt, see (48a). The linewidth in bands
labelled G- X (according to the new assignments of (J2) J
increases with v•. G(v=J) is perturbed by a JL+ state
(probably v=4 of g JL+) having B=0.687, Tv=719J7 cm- 1 •
mv=l perturbed by h Jn.(v=l), seek.
l
~hese constants represent only v=0,1,2. There are vi-
brational perturbations for higher v which may also affect
the lower levels.
0
B1 = 0.6888, B2 = 0.6785.
PApproximate constants from a partial analysis of the 1-0,
J-0, 4-0 bands (18)(37)1 vibrational constants confirmed by
(47). The v=O level is perturbed (J7); according to (48)
the 3n 1 component interacts strongly with A 1 n(v=2J). (48)
give constants which differ considerably from those of (J7).
qSpin splitting constants for V=l1 A= 0.298, r== -0.002 (11)•
rRKR potential curve (45); notice that the total energies of
the potential curves calculated by (45) are unreliable
since the T values used by them are, in fact, T00 values.
s e
~ = +0.000022.
t e -6
foe= +O.Ol8xl0
uRadiative lifetime 'L(v=l ••• 7) = 10.5 ns (2J). These authors
have calculated Franck-Condon factors and f values for
bands of the v'-0 progression and have determined the r de-
pendence of the transition moment.
vA new emission system reported by (22) has been shown (J6)
to be part of the E~X system with high v• and v"; see
also (47).
(References on p.607)
605
 606
State Te w wx Be ae De re Observed Transitions References
e e e
(lo- 6 cm- 1 ) (i) Design. I voo

2.8Si IE>Q (continued)

(l)* (9)
A ln 42835.4 852.8 z 6.4Ja o.6307bc 0.00660 1.43 1. 6206 Ad~X, e R 42640. 71 z (17 )* (38 )*
(47)* (49)*
D 16 38823f 730 3.9 o.553 8 c 0.00516 1.729
c 12::- 38624f 740 4.27 o.555 c
5 (0.0052) 1.727
e 32::- J8J09f 748 4.19 o.556 c 0.00515 1.726
3
d 36 r 36487fg 767 4.1 0.5631C (0.0052) 1.715

a
r
3rr2
J 1
no
Jr:+
lr:+
J4018.5
33947.4h
J3874.8
(JJ6JO)
lOlJ.8

(790)j
( z) 7.57

(4.l)j
[0.6892 0 ]~
[o.6760 7 J~c
[0.66386]
( O. 57) jc
1
0.00440

(0.0052)j
[2.22]
[1.25]
[0.50]
1.5624

(l.70)j
b~X,

a~x,
R

R
{ 33904.20 z
3383J.l4 z
33760.56 z
33409 H
(27)(29)(39)
(51)

(29) (39) (51)

x 0 1241.557 z 5.966k o.7267512c 0.0050377£ 0.980 1.509739 Rot.-vibr. sp.m (19)(26)
Rotation sp. n ( 7) (Jl) ( J4)
(50)
Mal. beam rf el. reson. 0 (12)(28)

SiO I aw e y e = +0.0238 (49).
bThe A 1 rr state is extensively perturbed by levels of
d 36, e JL:-, C 1 r:-, D 1 6; see (49) who give a very de-
tailed analysis of these perturbations for 28 si 16 o and
28 si 18 o. Selective enhancement of perturbed and corres-
ponding "extra" lines in emission under fast pumping
conditions ( 44) •
cRKR potential energy curves for the eight lowest states
(49); see also (4)(45) and r on p.605 concerning the
results of (45).
dRadiative lifetime 'L= 9.6 ns [phase-shift method (20)]
corresponding to fe£= 0.13; see also (10). Considerably
smaller f values have been derived by (6)(13); for a sum-
mary of reported f values see (46) whose theoretical cal-
culations predict 1:= 32 ns.
eFranck-Condon factors (3)(21)(48a). Isotope shifts for
29si 16 o and 3°si16 o (42)(47).
fAll constants for these states derived from perturbations
in A 1 rr (1) (49).
gA=+8. There is a strong spin-orbit interaction between
36 2 and 1 6 2 which causes a large asymmetry in the spin
splitting of d 36 (49).
h .
. Ao= +73.19, A1 = +73.02 (11).
1
Effective B0 values (J5); using instead sums of 6 2F(J) for
SiO (continued) 1
the three components (11) obtain B0 = 0.6766 8 • A-type
.doubling in 3n 0 and 3n 1 (35).
Jpredicted constants (49); see also (19a)(46). Only v'=O
has been observed in chemiluminescence. From partially
resolved rotational structure (51) derive B0 ~ 0.59.
k
weye= +0.0054557; these are the constants of (36)(49)
which are very similar to the old constants of (1) and
the more recent ones of (26) (rotation-vibration sp.);
see also (14)(17).
.toe= +2.35x 10-6 (50).
mObserved in late-type stars (26)(43).
nseveral microwave lines have been observed in inter-
stellar space and some extended stellar atmospheres,
see e.g. (40)(41). Maser action is prevalent.
0
µe.t(v) = 3.0882+ o.0197(v+t) D for v~ 3 (12); for gJ
factors (-0.1536 µN for v=O) and other magnetic proper-
ties see (28), also (31).
(1) Lagerqvist, Uhler, AF§, 95 (1952).
(2) Barrow, Rowlinson, PRS A 224, 374 (1954).
(3) Nicholls, JRNBS A 66, 227 (1962).
(4) Nair, Singh, Rai, JCP .iJ., 3570 (1965).
(5) Coppens, Smoes, Drowart, TFS .§J., 2140 (1967).
(6) Hooker, Main, JQSRT ~' 1527 (1968); Physica 41, 35
(7) Torring, ZN gJ, a, 777 (1968). (1969).
(8) Hildenbrand, Murad, JCP .,21, 807 (1969).
(9) Singh, Upadhya, Nair, IJP .iJ., 665 (1969).
(10) Czernichowski, Zyrnicki, APP A Jl, 865 (1970).
(11) Nagaraj, Verma, CJP 48, 1436 (1970).
(12) Raymonda, Muenter, Klemperer, JCP ..5._g, 3458 (1970).
(13) Rusin, VMUK _gj, 397, 526 (1970); _g_z, 196 (1972).
(14) Cornet, BCSARB (5) 51..t 1069 (1971).
(15) Elander, Lagerqvist, PS J, 267 (1971) •
(16) Hildenbrand, IJMSIP 1, 255 (1971).
(17) Bosser, Lebreton, Marsigny, CR C .£.2.2, 531 (1972).
(18) Cornet, Dubois, CJP 2.Q, 630 (1972).
(19) Hedelund, Lambert, ApL 11, 71 (1972).
(19a)Heil, Schaefer, JCP 22,, 958 (1972).
(20) Smith, Liszt, JQSRT 12, 505 (1972).
(21) Liszt, Smith, JQSRT 12, 947 (1972).
(22) Bredohl, Cornet, Dubois, Remy, CJP j1, 2332 (1973) •
(23) Elander, Smith, ApJ 184, Jll (1973).
(24) Lagerqvist, Renhorn, Elander, JMS 46, 285 (1973).
(25) Nagai, Niwa, Shinmei, Yokokawa, JCS FT I Q.2, 1628 (1973).
(26) Beer, Lambert, Sneden, PASP 86, 806 (1974).
(27) Bredohl, Cornet, Dubois, Remy, JP B 1, L66 (1974).
(28) Davis, Muenter, JCP 61, 2940 (1974).-
(29) Hager, Wilson, Hadley, CPL _g_z, 439 (1974).
(JO) Hildenbrand, Murad, JCP 61, 1232 (1974).
(Jl) Honerjager, Tischer, ZN _g.2_ a, 1695 (1974).
(32) Lagerqvist, Renhorn, JMS ±_2, 157 (1974).
(JJ) Lagerqvist, Renhorn, APH J..2, 155 (1974).
(34) Lovas, Krupenie, JPCRD J, 245 (1974).
(35) Singh, Bredohl, Remy, Dubois, CJP ~' 569 (1974).
(J6) Barrow, Stone, JP B ~' Ll3 (1975).
(37) Bredohl, Cornet, Dubois, JP B ~' Ll6 (1975).
(38) Deutsch, Deutsch, Elander, Lagerqvist, PS 12, 248 (1975).
(39) Hager, Harris, Hadley, JCP §J, 2810 (1975).
(40) Kaifu, Buhl, Snyder, ApJ 12j, 359 (1975).
(41) Buhl, Snyder, Lovas, Johnson, ApJ 201, L29 (1975).
(42) Podkorytova, OS(Engl. Transl.) J§., 637 (1975).
(43) Singh, AA 44, 411 (1975).
(continued p. 609 )
607
 608
State Te w wx
e e Be a-e De re Observed Transitions References
e
(lo-7cm- 1 ) {.i) Design. l voo

2s5i160+ D00 = 4.9 8 eVa AUG 1977

B 2E+ [ o. 710J]b [11.9] [1.5271] B-+X,c R 26016.55 z ( 1) * ,< 2) * (5)
x 2E+ 0 [o.7178]b [12.0] [1. 5191]

2s5i31p µ = 14.6995860 D00 = J.7 3 ev a SEP 1977

2.BSi 325 µ = 14.9206889 Dg = 6.4 2 eVa AUG 1977 A

E lE+ 4191.5.8 405.6 z l.6ob 0.221J7C o.00139d 2.2591 E~X, e R 41744.o z (2)* (6)(12)
I lE- 6J7462f ~404.9 1.18 0!:0.2142 0.0018 :6 2. 297 (5)
c 16 37269f 439·9 J-97 0.2269 0.0028 2.231 (5)
e JE- ~J.5J22f ~407.2 1.77 ~0.223
0 0.0029 ~2.251 (5) (J)
D ln 35026.86 .513.12 z 2.9J o.2664 gc
7 0.00216 2.91h 2.0.591 D~X, R J4908 • .51 z (l)* (J)* (5)
a Jn l [J0239-2] Only v'=O observed [0.28180] [2.0023] a..,.x, R 29865. 0 z (14)
x lt+ 0 749.64 z 2.577i 0.30352788c o. 00147308 ~ 2.01 l.92932lk Microwave sp. 1. (10)(1.5)

2.SSiCSo)Se (µ = 20.7224706) Dg = 5.64 eva AUG 1977

E 38505.9 308.8 H l.95b E~ X, R 38370.3 H (2)
D ln J2450.3 399.8 H 1.93 D~X, R J2360.2 H (l)* (2)
a ( 3nl) (25077) [(412)] H a-tX, R 24993. 7J H (5)
x lE+ 0 580.0 H 1.78 0.1920117C 0.0007767C o.842c 2.058324 Microwave sp. (J)

2s5 i c13o>Te (µ = 2,3.0194111) °

0 0 = 4. 64 eva AUG 1977
E .33991 242 H (J.6J)b E~X, R JJ871 H (2)
D ln 28661.8 JJ8.6 H 1.70 D~X, R 28590.4 H (l)* (2)
x lE+ 0 481.2 H l.JO
SiO (continued) 1 SiP s aThermochemical value (mass-spectrom.)(l).
(44) Bredohl, Remy, Cornet, JP B 2, 2307 (1976). (1) Smoes, Depiere, Drowart, RIHTR 2, 171 (1972).
(45) Lakshman, Rao, Naidu, Prama~a 1, 369 (1976). SiSs aFrom a short extrapolation of the vibrational levels of
(46) Oddershede, Elander, JCP §2, 3495 (1976). the E state (4) assuming dissociation into 3p + 3p (8).
b 2 2
(47) Shanker, Linton, Verma, JMS 60, 197 (1976). wey e = -0.028.
(48) Verma, Shanker, JMS .QJ, 553 (1976). cRKR potential curves (7)(13).
d
(48a)Renhorn, Dissertation (Stockholm, 1976). ~e = -0. 000018.
(49) Field, Lagerqvist, Renhorn, PS 14, 298 (1976); eBands in the near UV and visible region ( 3490 - 6170 R)
JCP 66, 868 (1977). first described by (1) have been shown (12) to be part of
(50) Manson, Clark, De Lucia, Gordy, PR A 1.,2, 223 (1977). the E-tX system (lbv'~ 17, 20!G:v"'=51). Franck-Condon
(51) Linton, Capelle, JMS 66, 62 (1977). factors (13).
fThe constants for these states have been derived (5) from
s iO + 1 g(
aD S iO ) + I. P. (Si) - I. P. ( S iO) • perturbations in D 1 rr; the vibrational numbering is un-
bSpin splitting constants to= to=
-0.0066, +0.0028. certain except for C 1 A.
cThere has been some doubt whether this spectrum is due gNumerous perturbations due to interactions with e 3~-,
to SiO+ or SiN (2)(3) but the recent work of (5) seems C 1 A, and I l~-.
to settle this point in favour of SiO+. Another ex-
~f-ie= -o.03x 10-7.
tensive system of R shaded bands, also ascribed to B~X 1
w y = +0.00052.
of SiO+, has been observed (4) in discharges through j e e 8
o 2 + SiCJ. 4 and, with much higher intensity, from a hollow 0e = -8 • 6 x 1 o- •
kFrom studies of four different isotopes the equilibrium
cathode containing a stoichiometric mixture of Sio 2 +Si1 internuclear distance at the minimum of the Born-Oppen-
v 00 = 30500.1,
heimer potential curve can be derived& r~BO)= 1.929264 i
W~= 634.90, W~X~=4.45, B~= 0.518 0 , IX~= 0.0054, (10).
w;= 976.06, W~X~= 5.57, B;= 0.6103, tx~= 0.0051. 1.µel.(v=O)=+l.73 D (+SiS-), see (7a)(9)(10); gJ=-0.09097-
No doublet splitting was observed and, as pointed out by o.ooo296(v+~) (11); si33s hyperfine structure (9); adia-
(5), the lower state B value does not fit with those of batic and non-adiabatic corrections (10).
the Rydberg states of SiO.
(References on p.611)
(1) Woods, PR .QJ, 426 (1943).
(2) Nagaraj, Verma, CJP 46, 1597 (1968). Sise 1 }
See p. 611 •
(3) Dunn, Rao, Nagaraj, Verma, CJP ±z, 2128 (1969). SiTe1
(4) Cornet, Dubois, Gerkens, Tripnaux, BSRSL41, 183 (1972).
(5) Singh, Bredohl, Remy, Dubois, JP B §, 2656 (1973).

609
 610
State T w w x
e e Be <Xe De re Observed Transitions References
e e

(152) Sm (3s> Cl
(10- cm- 1 ) (i) Design.
I voo

(µ = 28.4258078) Dg ~ 4.3 4 eva SEP 1976

Bands in the region 12500 - 17200 cm- 1 of the low-resolution Sm+ c.t 2 chemiluminescence
( 1)
spectrum have been attributed to SmC.t.

c1s2>Sm'9F (µ = 16.8866373) 0
Do = 5.4 6 eVa SEP 1976
Unresolved emission in the region 14000 - 33000, maximum at 24000 cm- 1 • (2) (J)

(1s1) Sm 1<>o (µ = 14.47130004) 0

Do = 5. 90 eVa I.P. = 5.5 5 eVb 1
Large number of unclassified, mostly R shaded emission bands from 13200 to 23300 cm- 1 •
SEP 1977
(1) (2)* (J)
Low-resolution chemiluminescence spectra have two broad maxima at 15600 and 21100 cm- 1 • ( 6) ( 7) ( 9)

SmC.l 1 aFrom the Sm+ c..e 2 chemiluminescence spectrum ( 1). Sm01 aThermochemical value (mass-spectrom.)(10), compatible with
(1) Yokozeki, Menzinger, CP 14, 427 (1976). (7) and superseding earlier results of (4)(5).
bCorrected electron impact appearance potential (8).
SmF1 aThermochemical value (mass-spectrom.)(l); consistent
(1) Piccardi, AANL 21, 589 (1935)1 ~' 86 (1937).
with lower limits from the Sm+ F 2 chemiluminescence (2) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
spectrum (2)(3). (3) Herrmann, Alkemade, "Chemical Analysis by Flame Photo-
(1) Zmbov, Margrave, JINC £2., 59 (1967). metry", 2nd rev. ed., Interscience (1963).
(2) Dickson, Zare, CP 1, 361 (1975). (4) Ames, Walsh, White, JPC 1.1, 2707 (1967).
(3) See ref. (1) of SmC.l. (5) Smoes, Coppens, Bergman, Drowart, TFS £2, 682 (1969).
(6) Edelstein, Eckstrom, Perry, Benson, JCP 61, 4932 (1974).
(7) See ref. (2) of SmF.
(8) Ackermann, Rauh, Thorn, JCP .Q.2, 1027 (1976).
(9) See ref. (1) of SmCL
(10) Hildenbrand, CPL 48, J40 (1977).
SiS (continued) 1 SiSei aFrom an extrapolation of the vibrational levels of
the E l~+ state assuming dissociation into 3p 2 + 3p 2
(1) Barrow, Jevons, PRS A 1.§..2, 45 (1938).
(2) Yago, Barrow, PPS 2§., 538 (1946). (2)(4).
b
(3) Lagerqvist, Nilheden, Barrow, PPS A Q.2, 419 (1952). w8 y e = -0. 0 32.
(4) Robinson, Barrow, PPS A Ql, 95 (1954). cRotational constants for 28 si 80se; (J) gives constants
(5) Nilheden, AF 10, 19 (1955). for eight isotopic species.
(6) Barrow, Deutsch, Lagerqvist, Westerlund, PPS ~' (1) Barrow, PPS _21, 267 (1939).
1307 (1961). (2) See ref. (2) of SiS.
(7) Nair, Singh, Rai, JCP _±2, 3570 (1965). (3) Hoeft, ZN 20 a, 1122 (1965).
(7a)Murty, Curl, JMS JQ, 102 (1969). (4) See ref. (8) of sis.
(8) Barrow, DONNSPEC (1970), p. 323. (5) Lebreton, Bosser, Ferran, Marsigny, JP B ~' Ll41
(9) Hoeft, Lovas, Tiemann, Tarring, ZN 24 a, 1422 (1969)·: (1975).
JCP 2J., 2736 (1970).
(10) Tiemann, Renwanz, Hoeft, Tarring, ZN _g_z a, 1566 SiTe1 aAverage of two recent thermochemical determinations
(1972). (3)(4), corrected for the new value of D00(Te 2 ); ~see
(11) Honerjager, Tischer, ZN 28 a, 1374 (1973). also ( 5).
b
(12) Bredahl, Cornet, Dubois, Wilderia, JP B ~' L259 weye= (+0.13).
(1975). (1) See ref. (1) of Sise.
(13) Katti, Korwar, APH .J.2., 145 (1975). (2) See ref. (2) of sis.
(14) Bredahl, Cornet, Dubois, JP B 2, L207 (1976). (3) Exsteen, Drowart, Auwera-Mahieu, Callaerts,
(15) Tiemann, JPCRD 2, 1147 (1976). JPC 11., 41JO (1967).
(4) Brebrick, JCP _±2, 2584 (1968).
(5) Barrow, DONNSPEC (1970), p. J2J and 367.

611
 612
State Te w w x Be a-e De re Observed Transitions References
e e e
(10- cm- 1 ) (.i) Design. l voo

cus, 120> Sn (µ = 59.4467474) 0

Do = 1.99 eva SEP 1977 A
2
u1o>sn c19>Br (µ = 47.5930819) SEP 1977
Unidentified absorption bands in the region 42300 - 45800 cm- 1 • (6)
E (43570) [320] E~X ,
1 43607 (6)
D (42742) [269] D-t- x1 , 42753 (6)
c [40869] c~ x , 40746 (6)
1
B ( 2L:) No emission from 1. B -+X2, V (30628)a
33062.3 304.3 H 0.71 v·~ (l)* (4)
Bf-+X1, JJ090.8 H

A (26) (27063) [163.6] H A-+ X, R 24557.9 H (l)*

26695 169.l 6.8 26654.3
A (2I:)
I (18717)b 164.l H 0.9 A•-+ Xe, R 18675.8 H (2)* (J)
2 (246J)
X2 /J/2 247.2d H
d
0.63
Xl 11 1/2 0

i205n3sc1 µ = 27.0731195 SEP 1977

Several weak diffuse absorption bands, 45400 - 47600 cm- 1 • (8)
Strong absorption continua 29000 - 33000 and 40000 - 53000 cm- 1 [see, however, (7)]. (J)

c (43718)
43650 399.3a H 1.1 I
c~ x, b v 41384a
43674a H (3)(8)
c· 41229 419.Ja H 1.7 C'-t-X b V 4126Ja H (8)
l'
(l)* (3)(4)
B 2r;+ 33583.3 431.8 HQ 1.25 0.1216 0.0006 2.263 B(;--+ X, v 31265.4 HQ ( 8) ( 9) ( 12)
33623.6 (14)
A
c 28963 303.3a HQ 3.7 c A~X,
2658oa
R 28666a HQ (l)* (2)(3)
28692 300.aa 4.o (4)
A' 2I:+ 19418.4 232.3 H 0.71 [0.0908] [2.619] A'-+ Xl' R 19359.l H
(4)* (5)(6)
{10)(12)
2 HQ 1.05 0.1122 0.0004 2.356
X2 /3/2 2356.6 354.4
0 351.1 HQ 1.06 o.1117d 0.0004 2.361
Xl Ill/2
 aThermochemical value (mass-spectrom.) (1)(2). SnCLa aNatural Sn isotopic mixture.
(1) Drowart, Honig, JPC 61, 980 (1957). bAccording to {lJ) also observed in emission.
(2) Ackerman, Drowart, Stafford, Verhaegen, JCP J2., cOriginally assumed to be 2 ~, this state has recently been
1557 (1962). reinterpreted as 4 t- en=1/2 and J/2) on the basis of a
tentative analysis of incompletely resolved rotational
SnBra a0-0 head obscured by an atomic line; the v" numbering structure {11).
of this subsystem is uncertain. dA-type doubling ~vfe = -0.009{J+i) (12).
bAssuming x1 as the lower state of the It-+ X bands; (1) Jevons, PRS A 110, J65 (1926).
see c.
(2) Ferguson, PR Jg, 607 (1928).
cit is not clear whether the lower-state component is (J) Fowler, PR 62, 141 (1942).
x1 or x2 • (5) suggest x1 and assign a number of weaker (4) Sarma, Venkateswarlu, JMS 11, 252 (1965).
bands near 6300 .R to A'-+ x 2 • (5) See ref. (J) of SnBr.
dAverage of the constants obtained by {1)(4). (6) Pannetier, Deschamps, JCPPB §2, 1164 (1968).
(1) Jevons, Bashford, PPS~' 554 {19J7). (7) Hast.ie, Hauge, Margrave, JMS £2,, 152 (1969).
(2) Sarrna, Venkateswarlu, JMS 11, 20J {1965). (8) Oldershaw, Robinson, JMS Jg, 469 {1969).
{J) Naegeli, Palmer, JMS 21, J25 (1966). (9) Richter, ZPC (Frankfurt a. M.) TI, 303 {1970).
(4) Oldershaw, Robinson, TFS 64, 616 (1968). (10) Chatalic, Iacocca, Pannetier, JCPPB £2, 82 (1972).
(5) Chatalic, Deschamps, Pannetier, CR C ~' 584 (11) Chatalic, Iacocca, Pannetier, JCPPB 1Q, 481 (1973).
(1969). (12) Chatalic, Iacocca, Pannetier, JCPPB 1Q, 908 (1973)_.
(6) Oldershaw, Robinson, TFS Q.z, 2499 {1971). (lJ) Katti, Korwar, PL A 48, 461 (1974) 1 CS ~' 374 (1974).
(14) Katti, Korwar, IJPAP 1J, 710 (1975).

613
 614
State Te w w x
e e B
e ae De re Observed Transitions References
e
(lo- 6cm- 1 ) {i) Design. l voo

ussn•9F µ = 16.3618865 D00 = 4.9 0 eVa SEP 1977

Strong absorption continua with maxima at 41000 and 53000 cm- 1 • (1)
21>, (46427) [o.287o]c [~.22 5 ]c [l.~95] v 44121.90 z
G

F (22:)
(46338) [609.9Jb H
- G~X,
46351.8 H
(1)(3)
45500.5 688.2d H 4.65 F-4A, v 25497.0 ( 3)
F+-t X, v 43233.ld (l)(J)
45552.6 H

E 42137.1 677.od H 3.0 E~X, v 39864.5d H (1)(3)

41856.1 41903.od H
D (41J41) [622]d H D-4 X, v 39041. 9d (J)
41361.4 H
c 21>, 40831 [6oo]d [o.2856]c [~.22 3 ]c [l.~99] v J8524.7 z
22:+
40760 H (5.4)
- c~x,
40772.8d H (1)(3)(6)
B 34109.0 677.6d H 2.74 [0.2896] [ 0.246] [1.886] B~A, v 14100.9 (J)
B~X,
v 31836.97 z (l)* (4)
(34156.09)
B, (4l:-) e
I B' ~X, 33039.8d
17736.08
H
z
(J)
A 2l:+ 20136.9 [415.76] z 2.20 6 H o.2471f 0.0026 [0.38 2 ]~ 2.042 A~X, h R (2)* (4)(9)*
2 20055.58 z
2316.9 [582.67] z 2.82 H 0.2738 0.0014 [0.225] 1 1.940
x 2nJ/2
nl/2 0 [577.64] z 2.69 H o.2727jk 0.0014 [0.262],t, 1.944
_l i_

{11o>Sn' H (µ = 0.99942466) °
D0 ~ 2. 73 eVa AUG 1977
2/J. b [4.904]cd
A [4J3]e [1.8545] A~X, R 23468.27 z (1)(4)*
a 41:- [5.3723]f [298]g [1.7719] a~x,h R 15439.27 z (2) (4)*
x 2n r oi [5.Jl488]j [207.5] [1. 78146]

<110 > Sn 1 H (µ = 1.98082851) AUG 1977

A 21>, (2J790)k [(736) J I [2.5161]c (0.2) Icuo.4]£ I [1.8391] A+- X, R 23563. 65 z (4)
 State Te w
e wexe Be ae De re Observed Transitions References
(lo- 6 cm- 1 ) (5t) Design.
l voo
<120
>Sn H 2
a
x
42:-
2rr
r
(15580)
00
l
(continued)
[992.5]
[1188.o]
z
z
J
[2.74o]m
[2.695o]P
0.13
0.0490
l
[8o]n
[53.4 J
I
[1.762]
[1.7770]
a~ X, R 15482.5 z (4)

SnFi aThermochemical value (mass-spectrom.)(7), recalculated sn1H, sn 2H1

with ng(caF) = 5.4 8 ev. aFrom the predissociation in A 26 assuming dissociation into
bFrom (3) (natural isotopic mixture); (1) give 6G(t) = 3p2 + 2s.
607 and 598 cm- 1 • bSpin coupling constants for v=01 A=20.41, A 3 =0.0625, '{=
cOnly the 2 a component has been analyzed (10). 1.23 (4). For a more elaborate evaluation of these con-
512
~atural isotopic mixture. stants (including centrifugal distortion) see (8).
eAssignrnent by analogy with GeF (11).
cRotational constants of (4) based on a modified Hill-Van
fSpin doubling constant f= -0.0836.
Vleck expression; see also (8). A case "c" treatment of the
gDl = O. 322 x 10-6 •
same data is given by (11).
hFranck-Condon factors (8).
dBroadening of absorption lines above N'~l4 (4), sharp cut-
~Dl = O. 25 2 x lo- 6 •
off in emission at N'=l7 (1).
JA-type doubling b.vfe= -0.0583(J+t). e H = -2. 3 x 10 -7 ; see c •
kRKR potential curve (5). 0
£ D =0.,336x lo- 6 • fSpin splitting constants for v=01 A= 45.78, Qi= 0.190, '( 2 =
1 0.191. 6B(difference in B values between the states .fl= 1/2
(1) Jenkins, Rochester, PR~' 1135 (1937).
and 3/2)= -0.0266. All constants derived by (4) according
(2) Yuasa, PPMSJ 21, 498 (1939).
to the modified expressions [see (4)] for the energy levels
(3) Barrow, Butler, Johns, Powell, PPS 1], 317 (1959).
of a 4 E state (3). For further refinements see (7)(9). The
(4) Barrow, Kopp, Merer, PPS .z2, 749 (1962).
case "c" treatment of the same data by (11) gives B0 = 5.404
(5) Singh, Rai, IJPAP 1, 102 (1966).
and 5. 339 for Il = 1/2 and J/2, respectively. For a discussion
(6) Uzikov, Kuzyakov, VMUK £}(5), 3.3 (1968).
of 4L:_i: in terms of case "a'" coupling conditions see (6).
(7) Zmbov, Hastie, Margrave, TFS 64, 861 (1968). g 2 -8
Ho=-J.3x10
(8) Singh, Dube, IJPAP ~' 164 {1971).
hRotational intensity distribution (5)(6).
(9) Rai, Singh, SpL 2, 155 (1972).
iA 0 =+2178.88+0.0l719J(J+l) (4); see, however, (8).
(10) Ram, Upadhya, Rai, JP B £, L372 (197,3).
(11) Merer, private communication. (continued p.617)

615
 616
--
State w wx Observed Transitions References
e e e
Design. l voo

(µ = 61. 6520046) SEP 1977

Fragments of several overlapping systems of absorption bands in the
( 3) (4)
region 38800 - 46300 cm- 1 •
B (22:) J2172.8 241.1 H B~ X, v 32193.9 H (l)*
A (22:) 17916.7 129.8 H A-?X, R 17880.8 H (2)
2 0 199.0a H
x ( n.b.)
2

n.osn•6Q µ = 14.11233427 SEP 1977

Unidentified absorption bands, 64920 - 68360 cm-l (5)
G
F
724
[466]
: 21 I G+- X,
F~ X,
R 58752
R 57492
H
H
(5)*
(5)*
Unidentified absorption bands, 53250 - 57670 cm- 1 • (5)
Absorption continuum between 51630 and 51920 cm- 1 (5)
36295
29624
508.0
[573.6]
H
Z
2.9c
3.08d H
I
0.3145 ef 0.0025
I
4.0
I
1.948
E~X,

D~X,gh R
R 36138
29503.2
H
z
(2) (4)*
(l)* (J)(6)*
5 7
A large number of emission bands in the visible and near UV region
has been observed by various methods (1)(10)(12). A satisfactory
interpretation is still lacking.
i
(24890) [560 J Bl= 0.3010 [1. 992] B+- X, R 24760 (7)
(24333) [555] [0.2964] [2.008] A+- X, R 24200 ( 7)
0 [814.6] Z 3.73 H 0.3557191f 0.002142
9
jl
(2.66) 1. 832505 IR spectrum k
/.,
(14)
Microwave sp. (11)

SnI1 aFrom the absorption spectrum (1). From the emission SnI (continued)i
spectrum (2) obtain w;
= 201.6, w~x~ = 0.53.
(2) Murty, Haranath, Rao, IJP 12., 203 (1971).
(3) Iacocca, Chatalic, Pannetier, CR C .?1.!±, 1892 (1972).
(1) Oldershaw, Robinson, TFS 64, 616 (1968). (4) Oldershaw, Robinson, JMS 12., 489 (1973).
SnOs aThermochemical value (8). Extrapolation of the E-X SnO (continued)1
v"=O progression gives a dissociation limit at 45770 µei(v=0)=4.J 2 D (lJ). Zeeman effect (17), gJ(v=0)=-0.1463.
cm-l (5); i f it corresponds to Jpl + Jpl [see (15)]
(1) Mahanti, ZP 68, 114 (1931).
a dissociation energy of 5.45 eV would follow.
(2) Loomis, Watson, PR~' 805 (19J4).
b(5) give 58809.6 which does not fit with their ob-
(J) Jevons, PPS j_Q, 910 (19J8).
served (or calculated) v 00 •
(4) Eisler, Barrow, PPS A 62, 740 (1949).
c_5 x 10-5(v+t)5 (valid for v' ~ 17).
(5) Barrow, Rawlinson, PRS A 224, 374 (1954).
dw Y = -0.135.
e e e (6) Lagerqvist, Nilsson, Wigartz, AF 12, 521 (1959).
Small A-type doubling. Several perturbations, pro-
(7) Deutsch, Barrow, Nature 201, 815 (1964).
bably by a 1 n (or 1 6) state (6).
(8) Colin, Drowart, Verhaegen, TFS 61, 1J64 (1965).
fRKR potential functions (9).
(9) Nair, Singh, Rai, JCP .1.J, 3570 (1965).
gFranck-Condon factors, relative band intensities,
(10) Joshi, Yamdagni, IJP 41, 275 (1967).
variation of electronic transition moment with r (16).
hThe observed 118Sn and 116Sn isotope
. (11) Tarring, ZN 22 a, 1234 (1967).
shifts for the
(12) Smith, Meyer, JMS .£2., 304 (1968).
0-1 band (6) seem to confirm the v' numbering. See,
(13) Hoeft, Lovas, Tiemann, Tischer, Tarring, ZN 24 a,
.however, (12) who suggest that v• be increased by 1.
1222 (1969).
~Both v=l and v=2 are extensively perturbed.
(14) Ogden, Ricks, JCP ...2.J, 896 (1970).
te
J ~ -7 x 10-7.
(15) Barrow, DONNSPEC (1970), p. 323.
kin argon and nitrogen matrices.
(16) Dube, Rai, JP B ~' 579 (1971).
i(ll) gives rotational constants for seven isotopes.
(17) Honerjager, Tischer, ZN 28 a, 1J72 (197J).
Dipole moment from Stark effect of rotation spectrum

sn 1H, sn 2H (continued)1 (1) Watson, Simon, PR ..22, 358 (1939).

(2) Watson, Simon, PR jl, 708 (1940).
jA-type doubling in 2n.1. ( v=O), 6v fe = +1. 003 ( J+~) -
(3) Hougen, CJP 40, 598 (1962).
l.76x 10- 4 (J+~)J (4).
2

(4) Klynning, Lindgren, Rslund, AF JQ, 141 (1965).

ks pin
. coupling. constants for v=01 A= 8.52, AJ= 0.0225, (5) Klynning, AF Jl, 281 (1966).
t= 0.555. The large difference from sn 1H remains un- (6) Kopp, Hougen, CJP ~' 2581 (1967).
iHo = -0.lJ5 x l0-7; see c. I explained; see (10)(11). (7) Kovacs, Korwar, JP B ~' 759 (1971).
mSpin splitting constants for v=O: '\ = 45 O v- - O 076 (8) Kovacs, Vujisic, JP B ~' 1123 (1971).
n -8 A • ' 01 - • '
Ho=-0.lJxlO I r2=0.0883. D.B(see f)=-0.012. (9) Kovacs, Pacher, JP B ~' 1633 (1971).
0
A0 = 2177.05+ 0.0080J(J+l). (10) Veseth, Physica 22., 286 (1971).
p
llvfe( 2 nvv=O) = +o.5076(J+t) - o.oooo45(J+~) J • (11) Veseth, JMS 48, 28J (1973).
2

617
 618
State w wx Observed Transitions References
e e
l
e
Design. v 00

µ = 25.2414174 AUG 1977

Continuous absorption from 56470 to 56887 cm -1
(2)
[56171] v=O only. Gf- X, R 55928 H (2)
(52257) (408) H (4.5) Ft- X, R 52217 H (2)

33037.0 294.25 H 1.15 B2 o= 0.0889 E~X, R 32941 H (l)* (2) (3)

B19= 0.0915
28336.60 331.35 z 1.265 0.12023cd 0.00070 D~X, R 28258.67 z (l)* (3)
The spectrum in the visible and near UV region is very complex, both in absorption and in
emission (1)(3)(7); partial analysis by (3)1
Only one levele
C' 1 [23950.~] analyzed. [0.1075] [2.493] C'+-?X, R 23707.0 Z (3)
g
(23589.8) [366.6oi z [0.1214] [2.345] B~X, R 23529.82 Z (3)
Only one levelh
[22915.97] analyzed. [o.l184] [2.375] A~X, R 22672.68 Z (3)
1 a_, X,
0 487.26 z 1.358 l
Fluorescence bands in rare gas matrices, 18300 - 14300 cm- •
o.13686139d o.0005056r 4.24 l ( 18 JOO)
2.209026 IR spectrum j
Microwave sp.k
( 8)
(12)
(9)

c12o)sncso)se (µ = 47.9543017) AUG 1977

F (47850) (290) Ft- X, R (47830) H (J)*
E 30738.9 196.6 H 0.77b E~X, R J0671.6 H (2) (J)*
D 27549.6 225.1 H 0.69 D~X, R 27496.6 H (1)(2)* (3)*
A definitive analysis of the visible absorption bands (15800- 23800 cm- 1 ) is still lacking.
At least three or four systems seem to be present with upper state frequencies of rv226 and (1)(7)(8)
1
0 331.2 H 0.736 l 0.0649977 7c 0.0001704 8 d
J
1.1 l 2.325601 l
218 cm- , but there is considerable disagreement concerning the assignments of the bands.
I~ spectrume f
Microwave sp.
(9)
(5)
SnS: aThermochemical value (4); agrees fairly well with
values derived from the continuous absorption (Dg ~
4.84 eV) and from a short extrapolation of the vibra-
tional levels of the E state (DO= 4.81 eV) i f dis-
sociation into 1D + 1D and 3p + gP , respectively, is
1 1
assumed.
bp and q of (2).
cPerturbations.
dRKR potential functions (6).
eCalled z by (3) and renamed C' by (5); v numbering
uncertain. Low J lines ( J <. 29) are weak or absent
causing the headless appearance of the bands.
fThe two levels x and w of (3) are believed (5) to be-
long to the same electronic state; v numbering uncer-
tain. Rotational perturbations in both observed levels.
gB = 0.1218; see f.
1 3
hCalled y by (3), renamed A by (5); v numbering un-
certain.
i. - 1. 8 x 10 -7( v+ 21)2 - 4 x 10 -9( v+ 21)3 •
7 (1)
Jrn argon matrix.
kµel= 3.17+ 0.022(v+~) D (9)(11); see also (10). 33s hf
structure (11).
(1) Rochester, PRS A 12.Q, 668 (1935).
(2) Barrow, Drummond, Rowlinson, PPS A 66, 885 (1953).
(3) Douglas, Howe, Morton, JMS 1, 161 (1961).
(4) Colin, Drowart, JCP J..Z,. 1120 (1962).
(5) Barrow, Fry, Le Bargy, PPS 81, 697 (1963).
(6) Nair, Singh, Rai, JCP ±J., 3570 (1965).
(7) Yamdagni, Joshi, IJP 40, 495 (1966).
(8) Smith, Meyer, JMS ~' 304 (1968).
(9) Hoeft, Lovas, Tiemann, Tischer, Tarring, ZN 24 a,
1222 ( 1969).
SnS (continued)s
(10) Murty, Curl, JMS JQ, 102 (1969).
(11) Hoeft, Lovas, Tiemann, T8rring, JCP 21, 2736 (1970).
(12) Marino, Guerin, Nixon, JMS ..,21, 160 (1974).
SnSes aFrom thermochemical data (mass-spectrom.)(4), recalcu-
lated with ng(se 2 ) = 3.411 eV (see a of se 2 ). Assuming
dissociation into 3p 1 + Jpl at the dissociation limit of
the Estate [see band (7)] gives Dg= 4.o 8 eV.
bweye= -0.0016. Vibrational levels observed to v=29; a
short extrapolation yields a dissociation limit at 35470
cm-l while the banded absorption seems to go over into a
continuum at J6570 cm- 1 •
cRotational constants for 120sn 80se; see (5) who gives
similar data for 28 other isotopic molecules.
di-"'
~e= -1. x 10
-7 •
ein argon matrix.
f
µef,(v=0)=2.82 D, from Stark effect of microwave sp. (6).
Walker, Straley, Smith, PR 21, l~O (19J8).
(2) Barrow, Yago, PPS .,.22, 326 (1943).
(3) Vago, Barrow, PPS 2§., 707 (1946).
(4) Colin, Drowart, TFS 60, 673 (1964).
(5) Hoeft, ZN 21 a, 437 (1966).
(6) Hoeft, Lovas, Tiemann, Tarring, ZN 24 a, 1843 (1969).
(7) Barrow, DONNSPEC (1970), p. 376/7.
(8) Yamdagni, JMS J], 531 (1970).
(9) See ref. (12) of SnS.
619
 620
State Te w
e w x
e e Be ae De re Observed Transitions References
(lo- 6cm- 1 ) (i) Design. l voo

c120>5n C•3o>Te (µ = 62.3519526) 0

Do = 3.69 eVa AUG 1977
J (47260) (230) H J~ X, R (47245) H (4)(5)*
I 44033.5 229.7 H l.25b IE- X, R 44018.4 H (4)(5)*
H J0818.J 201.0 H o.6 H~X, R J0789.0 H (J)(4)
G 29071.8 200.8 H O.J G.- X, R 29042.5 H (3)(4)
F 28545.9 98.0 H 1.0 F~ X, R 28465.0 H (3)(4)
E (27642.8) (1J5.0) H (2.5) E{c--+ X, c R (27580.0) H (1) (J) (5)*
D 25444.J 179.1 H o.4o D~X, R 25404.1 H (1)*(2)*(5)*
c 21418.6 218.1 H 0.98 c.- X, R 21J97.8 H (2)*
B 20J94.9 2JO.J H l.5Jd B+- X, R 20J80.0 H (2)*
A 16844.o 178.5 H o.44 A.- X, R 1680J.5 H (2)*
x lr;+ 0 259.5 H 0.50 0.0424791-7° o.0000954Jf 0.0055 2.522814 Microwave sp.g (7)

32$1'0 µ = l0.661J0292 O= 5.J59 ev a

D0 I.P. = 10.29 evb AUG 1977
Potential energy diagram (17).
Fragment of another system near 70700 cm -1 • (24)
{ 68092
E (Jn) (67884) [1220] E~ X, 67921 (18)
67746
(Jn) { 5'>586
D (54J40) [1254] D~ X, 54J94 (18)
54259
(42200) {State causing perturbations and predissociations
c (170) in B .3r;-. (2.2) (17)
B .3r;- 41629 630.4cd H 4.79C o.502 ef 0.0062 (1. 28) 1.775 Bg~x,h R 41J70 (1)(2)(2a)
0 (17)*
38622 412.7i z 1.7 0.6164 o.0204j (4.8) 1.6016 { 38255k
A Jnn )8462
J8J06
41J.Ji
415.2i
z
z
1.6
1.6
0.61071.
0.6067°
o.0194m
o.0194m
. (4.0)
(J.7)
1.6091
1.6144
} An~ X, R J8095k
.37940k
(17)*
SnTes aThermochemical value (mass-spectrom.)(6), corrected for SO (continued)s
b~ e y e = -0.00J. I the new value of n 0~Te 2 ). (17). Lower vibrational levels appear to converge to a
cAccording to (5) the assignments in this system are limit at N59090 cm- 1 corresponding to s(Jp) + o( 1D).
quite uncertain; (5) give ve~28000, w~~150. estrong rotational perturbations, particularly for v=l and
dw y = -0.013. 2 (1)(4)(20) and v=7, 11 (17). Predissociation (breaking-
e e 120 lJO
eRotational constants for Sn Te. off in emission) for V=O, 1, 2, J above N=66, 53, .39, 6, re-
8 2
f - 5. 3 x 1 o- ( v+~) + 1. 8 x 10-9 ( v+t) 3. spectively (1), leading to a dissociation limit near
gDipole moment of l20sn 1 .3°Tes µet(v=O)= 2.19 D, from 4}224 cm- 1 • A second predissociation (diffuseness in ab-
Stark effect of microwave spectrum (8). Microwave spec- sorption) sets in above v=8 and reaches its maximum for
tra have been observed for 27 isotopic molecules (7). v=l4, 15, substantially above the corresponding dis-
(1) Barrow, PPS ..2£, 380 (1940). sociation limit Jp + Jp ( 17) •
(2) Barrow, Vago, PPS 22., 78 (1944). fspin splitting constants J. 0 = 3.5, 0o= 0.010 or -0.020 (6).
(3) Sharma, PNASI A 14, 2)2 (1945). gRadiative lifetimes T= 17. , 16. 6 , 16. 2 ns for V=O, 1, 2,
3
(4) Sharma, Nature ]jl, 663 (1946). respectively (19).
(5) Yago, Barrow, PPS 2.§., 707 (1946). hFranck-Condon factors (26)(30); measured relative inten-
(6) Colin, Drowart, TFS 60, 673 (1964). sities, variation of electronic transition moment with r
(7) Hoeft, Tiemann, ZN£] a, 1034 (1968). (JO) •
(8) Hoeft, Lovas, Tiemann, Tarring, ZN 24 a, 1843 (1969). iconstants derived from v=l ••• 4; v=O is perturbed. 6G(~) =
425, 416, 414 for .3n 0 , 3n 1 , .3n 2 , respectively. 6G de-
S01 8From the first predissociation limit in B J~- (see e) creases rapidly above v=4.
assuming that it corresponds to dissociation into .3p 2 + jre = +0.0010.
3p 2 • A similar value (Dg= 5.36 4 eV) follows from the kApproximate origins for the deperturbed 0-0 band, by ~x­
assumption that the convergence limit of the B state trapolation from the unperturbed levels V=l ••• 41 see
(see d) corresponds to s( 1D) + o(3P 2 ). The value given LA-type doubling 6vfe = +O.OOO}lJ(J+l).
here has been confirmed by thermochemical measurements m
re = +0.0009.
bFrom the photoelectron spectrum ( 25) ( 29). I(
5) 1 s. also ( 16).
nRadiative lifetime 'L= 12. 4 ns corresponding to a band
cThe constants given represent the best approximation oscillator strength f ~ o. 018 near the Franck-Condon
for v ~ 6 (2). maximum (2-0 band); see (27).
dVibrational levels observed to v'=JO, very close to the 0
,A-type doubling 6v fe ~ +l. 2 cm-1 , slightly dependent on J.
convergence limit s( 1D) + o(Jp) at 52500± 100 cm-l (2a)
(17). A large drop in the value of 6G occu~s near V=l6 (continued p. 622 )
owing to an avoided crossing with another J~- state (J)

621
 622
we x e Observed Transitions References

Design. .~ v 00

b 10510.0 z 0.70262 [1.20]q 1.5001 b~X, R 10469.33 Z (15)* (22)*

a (635o)r [o.7103383]s [1.168] [1.491971] Microwave sp.t (21)(39)
ESR sp.u (8)(26a)(27a)
x 0 z 0.0057367 [1.134 J 1.481087 IR sp.w (35)
Microwave sp.x (6) ( 7) (10)
(Jl) (J2) (J9)
ESR sp. (9)(12)(34)

AUG 1977
2
c ( n) · (77100)
B (22:-) 49780 1000 (1.55)
b 42:- 37690 990 (l.535)
All data obtained from the photoelectron
2 spectrum of SO (l); bond lengths derived
A ( n) (35600)
a 4n (26170) 800 from Franck-Condon analyses of the ob- ( 1.64)
served spectra.
340
x 0
1360
l I ( 1.424)

SO (continued)r SO (continued) 1

Pvibrational constants of (22) 1 the older values of (2)
(15) are based on an extrapolation of the ground state
vibrational levels (1) required by the revised v" num-
bering of (2). This change has been confirmed by isotope
studies (14). IR fundamental in Ar matrix1 bG(~) = 1136.7
q D = 1. JO x 10 -6 •
1
I
( 35).
rFrom a comparison with o2 and s 2 (15).
s"True" B0 of (39); the effective value is 0.7103476.
tµe.e = 1. 32 D [average of values obtained from Stark effect
of ESR (11)(23) and microwave (21) spectra].
uThe 33s hf interaction has been studied by (25a).
vSpin splitting constants Ao= +5.2787981 cm-1, A. 1 = +5.3105,
1
to= -0.0056153 cm- , h=
-0.00572 (J9). For an improved
representation of the rotational levels according to the
intermediate case "c"- case "e" coupling model see (28) (33)
(36); for an ab initio calculation of the spin-orbit part
of A (dominant contribution to the observed splitting) see
(37). Rotational constants for 34 s 16 o, 3 2s 18 o, 33s 16 o are·
SO (continued)s
given in (Jl)(J2).
win argon matrix.
xµe.e = 1.55 D from Stark effect of microwave sp. (6). The
hf interaction due to JJs has been studied by microwave
(10) and ESR spectroscopy (lJ); see also (JS).
(1) Martin, PR 41, 167 (19J2).
(2) Norrish, Oldershaw, PRS A .£±2, 498 (1959).
(2a)McGrath, McGarvey, JCP J1, 1574 (1962);
McGarvey, McGrath, PRS A~' 490 (1964).
(J) Abadie, Herman, CR ..s2.Z, 2820 (1963).
(4) Abadie, Herman, JQSRT 1, 195 (1964).
(5) Colin, Goldfinger. Jeunehomme, TFS 60, 306 (1964).
(6) Powell, Lide, JCP 41, 141J (1964).
(7) Winnewisser, Sastry, Cook, Gordy, JCP 41, 1687 (1964).
(8) Carrington, Levy, Miller, PRS A £2.], 108 (1966).
(9) Daniels, Dorain, JCP !±..2,, 26 (1966).
(10) Amano, Hirota, Morino, JPSJ 22, 399 (1967).
(11) Carrington, Levy, Miller, JCP 17, J801 (1967).
(12) Carrington, Levy, Miller, PRS A .£2.§., 340 (1967).
(lJ) Carrington, Levy, Miller, MP 1J., 401 (1967).
(14) Apparao, Narasimham, PIAS A 68, 17J (1968).
(15) Colin, CJP 46, 1539 (1968).
(16) Gaydon, DISSEN (1968).
(17) Colin, CJP !±1, 979 (1969).
(18) Donovan, Husain, Jackson, TFS £2., 29JO (1969).
(19) Smith, JQSRT 2, 1191 (1969).
(20) Abadie, AP(Paris) 2, 227 (1970).
(21) Saito, JCP 2.J., 2544 (1970).
(22) Bouchoux, Marchand, Janin, SA A _g_z, 1909 (1971);
Bouchoux, Marchand, SA A 28, 1771 (1972).
(23) Byfleet, Carrington, Russell, MP 20, 271 (1971).
SO (continued)1
(24) Donovan, Little, SpL 1, 213 (1971).
(25) Jonathan, Smith, Ross, CPL 2, 217 (1971).
(25a)Miller, JCP ~' 1658 (1971).
(26) Smith, Liszt, JQSRT 11, 45 (1971).
(26a)Uehara, MP 21, 407 (1971).
(27) Smith, ApJ 1.'.Z.2, 265 (1972).
(27a)Brown, Uehara, MP 24, 1169 (1972).
(28) Veseth, JP B £, 1484 (197J).
(29) Dyke, Golob, Jonathan, Morris, Okuda, Smith, JCS FT
II 1Q, 1818 (1974).
(JO) Hebert, Hodder, JP B 1, 2244 (1974).
(31) Tiemann, JPCRD J, 259 (1974).
(J2) Tiemann, JMS 21_, 316 (1974).
(3J) Veseth, Lofthus, MP ]J_, 511 (1974).
(34) Davies, Wayne, Stone, MP 28, 1409 (1974).
(35) Hopkins, Brown, JCP 62, 2511 (1975).
(36) Veseth, MP~' 321 (1975).
(37) Wayne, CPL J1, 97 (1975).
(38) Veseth, JMS .22., 51 (1976).
(39) Clark, De Lucia, JMS 60, JJ2 (1976).
S0+ 1 8ug(so) + I.P.(S) - I.P.(SO).
(1) See ref. (29) of SO.
623
 624
State Te w w x
e e Be ae De re Observed Transitions References
e
(10- cm-1 ) {i) Design.
l voo

css>Sr 79Br (µ = 41.5849471) 0

Do = 3.41 eVa SEP 1977
V shaded emission bands in the region 17000- 20000 cm- 1 have been attributed to transitions
(5)
from three additional states to A 2n and B 2E.
E 2E+ 32052.5 248.0 H 0.65 E-+ X, v 32068.2 H ( 4)
D 2E+ 28958.2 247.8 H 0.55 D~X, v 28973.8 H (J) (11)

c 211 24665.8 205.2 H o.49 24660.2

Cb+-+X, R H (1) (J) (10)
24343.7 24338.l H (11)
B 2E+ 15352.0 222.0 H 0.55 Bb~X, V 15354.7 H (2)(3)
A 2n 15000.7 222.1 H 0.53 Ab~X, V 1500J.5 H (2)(J)
14699.4 14702.2 H
x 2E+ 0 216.5 H 0.51

(sa>5r3sc1 (µ = 25.0170662) 0 = 4.16 eVa

D0 SEP 1977
H 2E+ 34256.7 364.6 H 1.08 H-+-B, 18562.7 H (5)
H~X, v J4287.8 H (4)(5)
G ( 26) J4085.4
34059.6 J56.7 H 1.0 G-+ A, 18996.4 H (5)
19264.8 H
F ( 2n) J2974.8 354.2 H 1.09 F-+B; 17277-5 H (5)
32905.9 17208.4 H
F-+A, 17884.6 H (5)
18109.9 H
E 2E+ J2201.8 J46.3 H 1.10 E-+A, 17396.1
- H (5)
E~X, v 32223.8 H (4) (5)
D 2E+ 28822.9 J44.8 H 1.04 D-+ B, 13123.7 H (5)
D-+A, 14727.0 H (5)
1 021.8 H
D~X, v 28844.1 H (4)(5)
c 2Il 25399.8 28).4 H 0.92 Cb+-+X, R 25390.4 H
25244.6 282.1 H 0.89 25234.5 H (1)(2)(5)
 State Te w wexe Be .Xe De re Observed Transitions References
e
(10- cm- 1 ) CR) Design. ·~ voo

(SS) Sr 35 Cl (continued)
B 2E+ 15719.5 306.4 H 0.98 Bb~X, v 15721.5~ H (1)(3)* (4)
1571).l H ( 7)
15112.6 Ab~X, v 15116.1 H (1)(2) (J)*
A 2Il 14818.4 309.4 H 0.98 14821. 9 H (4)(5)(7)
x 2E+ 0 J02.J H 0.95

SrBrs aThermochemical value (mass-spectrom.) (12); in good SrCl1 aThermochemical value (mass-spectrom.)(6), in very good
agreement with the flame photometric value of (6)(7) agreement with the most recent flame photometric results
but considerably below the lower limit to Dg
derived of (8)(10). (9) place a lower limit to the dissociation
by (9) from the study of chemiluminescence spectra. energy at 4. 2 eV based on their study of the Sr+ Cl 2
9
bThe following radiative lifetimes have been measured chemiluminescent reaction.
by (8)1 A J4 ns, B 42 ns, C 29 ns. b(ll) have measured the following radiative lifetimes1
(1) Olmsted, ZWP 1, JOO (1906). A Jl ns, B 39 ns, C 26 ns.
(2) Hedfeld, ZP 68, 610 (1931). cDouble heads on account of large spin doubling.
(J) Harrington, Dissertation (U. of California, 1942). (1) Parker, PR !±1, J49 (1935).
(4) Reddy, Rao, IJPAP ~' 251 (1966). (2) More, Cornell, PR 2J, 806 (1938).
(5) Reddy, Reddy, Ashrafunnisa, Rao, CS 40, Jl7 (1971). (J) Gatterer, RS 1, 153 (1942).
(6) Gurvich, Ryabova, Khitrov, FSCS No. 8, BJ (197J). (4) See ref. (J) of SrBr.
(7) Khitrov, Ryabova, Gurvich, HT(USSR) 11, 1005 (197J). (5) Novikov, Gurvich, OS(Engl.Transl.) 12., 76 (1965).
(8) Dagdigian, Cruse, Zare, JCP 60, 2JJO (1974). (6) Hildenbrand, JCP _ig, 5751 (1970).
(9) Menzinger, CJC ,,ig,, 1688 (1974). (7) Singh, Nair, Upadhya, Rai, OPA J, 76 (1970).
(10) Joshi, Gopal, PramaDa ~' 276 (1975). (8) Gurvich, Ryabova, Khitrov, Starovoitov, HT(USSR) 2,
(11) Puri, Mohan, CS 44, 152 (1975). 261 (1971).
(12) Hildenbrand, JCP 66, 3526 (1977). (9) Jonah, Zare, CPL 2, 65 (1971).
(10) See ref. (6) of SrBr.
(11) See ref. (8) of SrBr.

625
 626
State Te w w x Be (X
De re Observed Transitions References
e e e e
(lo-5cm- 1 ) {~) Design. l voo

css>sr 19F (µ = 15.6221112) D00 = 5.5 8 ev a OCT 1977

G ( 2II) 34758.9 573.9 H 1.28 Gf- X, v 34795.4 H (3)
F 2:E+ 32823.7 598.5 H 3.42 [o.26966]b (0.00187) [0.0223] [2.0004] F~X, v 32871. 96 z ( 3) ( 8) ( 9)
E 2n 31615
31529.1
-
564.4 H
-
3.20 E~X, v 31646.5
31560.4
H
H
( 3) ( 9)
D 2:E+ 28296.6 552.1 H 2.15 D~X, v 28322.0 H ( 3) ( 9)
c 2n 27445 R 27419.3
H
27384.1 450.5C H 1~72c c~x,
27358.8 H
(1) ( 3) (9)
B 2:E+ 17267.42 495.8d z o.249396de 0.001557 0.0252 2.08010 R 17264.10 z (1)(2)* ( 3)
2.34 B~X,
(4)(13)
A 2n 15349. 0 507.3~ H 2.18c Af~X, V 15352.0 H (1)(2)* (3)
15068.3 507.9 H 2.2lc 15071.6 H (9)
x 2:E+ 0 502.4dg z 2.27 o.250533dh 0.001546 0.0249 2.07537 Rotation sp.i (14)
ESR sp. j (11)

css>Sr 1H (µ = 0.99640162) n0°6 1.66 eva SEP 1977

Fragments of several additional absorption systems above 30000 cm -1 ; tentative rotational (9)* (10)
analyses. ( 16)* ( 17)*
F 2:E+ 34096 [1337.0] z (33)b [4.0020]c 0.092 [13.84] [2.0561] Ft- X, v 34189.97 z (6)* (7) (9)
(10)
c 2:E+ 26230 1347 H 23.5 4.oo8d 0.132 14 2.055 c~x, v 26298.7 z (2) (4) (5)
(8)*
D 2:E+ 20847.6 1014.1 z 15.4 1. 925e 0.024 J 2.965 D~ X, f R 20752.0 z ( J) ( 5)
E 2n t3.869j t2.09lj E~X, v 18960 z (2)
3.639 g tf gj 2.156 18860 z
B 2i:+ 14340 [1193. 0] z (19)b 3.8788h 0.0930 17.3 2.0885 B-+X, v 14352.1 z (l)* (3)
A 2n i t3.679jj tll.3j t2.144j A-+X, v 13653 z (l)*
r J.668 lJ.J 2.148 13J60 z
x 21:+ 0 1206.2 z 17.0 3.6751k 0.0814 [lJ.5] 1 2.1456 ESR sp.m (12)
SrF1 aThermochemical value (mass-spectrom.)(10). Re-evaluation Sr1H, Sr 2H:
by (10) of the earlier data of (5)(6) gives D~= 5.45 eV; aFrom the predissociation in C 2I+ assuming dissociation
flame photometric value 5.7 2 eV (7). into 3p + 2s.
bSpin doubling constant ltl = 0.043 (8). 0
bFrom isotope relations.
cVibrational constants of (9). cSpin doubling constant fo=+0.076. All lines are diffuse
dConstants for 88 sr 19F (13)(14). owing to predissociation.
eLarge spin doubling, t = -0.1353 4 cm-l (14). dBreaking-off in emission at low pressure above N'=l9 and
£Radiative lifetime 'f= 23 ns (12). 4 in v'=O and 1, respectively (8). Perturbations.
gSimilar constants are obtaine.d from bandhead measurements estrong perturbations.
in D-X, E-X, F-X1 w~=501.3, w;x;=2.2 (averaged fFranck-Condon factors (11).
5
values). gPerturbations.
~Spin-rotation interaction t= +0.00249 (14). hSpin doubling constant to=-J.81 [for N..:'...10 (3)]. For a
1
Microwave optical double resonance. more elaborate evaluation of th~ spin splitting including
jin Ne and Ar matrices at 4 K. higher-order correction terms see (14).
(1) Johnson, PRS A 122, 161 (1929). ~A 0 ~+300. See also j.
(2) Harvey, PRS A 1JJ, 336 (1931). Jvery large A-type doubling, see (1)(15). The constants
(3) Fowler, PR 22_, 645 (1941). given here are effective values; see, however, (13) who
(4) Ahrens, PR 1!±, 74 (1948). has evaluated the true constants by taking into account
(5) Blue, Green, Ehlert, Margrave, Nature 12.2., 804 (1963). several usually neglected corrections to the rotational
(6) Ehlert, Blue, Green, Margrave, JCP 41, 2250 (1964). energy formulae for a 2n state.
(7) Ryabova, Gurvich, HT(USSR) ~' 749 (1964). kFrom (J); spin doubling constant ro= +0.122. (6) give
(8) Barrow, Beale, CC (1967), 606. Bo = 3 • 6 336 , Do = 13 • 3 9 x 10 - 5 •
(9) Novikov, Gurvich, OS(Engl.Transl.) 22, 395 (1967). i,Dl = 12. 9 x lo-5.
(10) Hildenbrand, JCP 48, 3657 (1968). min argon matrix at 4 K.
(11) Knight, Easley, Weltner, Wilson, JCP .2!, 322 (1971). (continued p. 628 )
(12) Dagdigian, Cruse, Zare, JCP 60, 2330 (1974).
(13) Steimle, Domaille, Harris, JMS 68, 134 (1977).
(14) Domaille, Steimle, Harris, JMS 68, 146 (1977)._

627
 628
State Te w
e wexe Be «e De re Observed Transitions References
(lo-5cm- 1 ) (i) Design. l voo

css>Sr 1 H (µ = 1.96898856) n 0°~i.70 eVa SEP 1977

Fragments of additional absorption systems above 30000 cm-1 ; tentative rotational analyses. (9)(10)(16)*
(17)*
F 2E+ 34097 [964.6] z (17)b [2.0334]n 0.032 [3.47] [2.0519] F~ X, v 34164.87 z (6) (7) (9)
(10)
c 2E+ 26226 [943] z (11.9) 0 l.98p 0.03 [2.5] 2.08 C-+X, v 26279 z (3)(8)*
B 2E+ 14335 [857] z (lO)b l.9426q 0.0349 [4.02]r 2.0994 B-+X, v 14343.9 z (3)
x 2E+ 0 [841] z (8.6) 0 l.8609S 0.0292 [3.47]t 2.1449

css>sr 1111 (µ = 51.9324625) n 00 ~ 2.8 2 eva SEP 1977

F 210.4 H o.4o F-+Aor B, V 19902.1 H (12)

19599°3 H
D (2E) 28944.o 200.4 H 0.50 D-+X, v 28957.1 H (8)* (10)
c (2Il) 23223.4 168.5 H o.4o cb~x, R 23220.6 H
22666.1 170.9 H 0.36 22664.5 H (1)(2)(5)*
B ( 2E) c 14815.9 182.2 H 0.37 Bb-+X, v 14820.1 H (9)*
c 14748.8 179.5 H 0.32
Ab+-+X, v 14751. 7
H (1)(4)(6)
A (2n)
14422.7 182.J H 0.54 14427.0 H (9)*
x 2E+ 0 174.ld H o.35d

sr1H, sr 2H (continued)1 sr1H, Sr 2H (continued)1

nSpin doubling constant Ao= +o. 0357" sSpin doubling constant ro = +O. 061.3°
°From the value for sr1H. tDl = J.64x 10-5.
PBreaking-off above N'=29 and 19 in v'=O and 1, respec-
(1) Watson, Fredrickson, PR J.2, 765 (19J2).
tively (8). Strong perturbations.
(2) Fredrickson, Hogan, Watson, PR 48, 602 (1935).
qSpin doubling constant io=-2.0l [for N.(10 (J)]. See h
(J) Watson, Fredrickson, Hogan, PR~' 150 (1936).
rD 1 = 3.81x10-5.
(4) Humphreys, Fredrickson, PR 2Q, 542 (19J6).
sr 1 H, sr2rf (continued)1 SrI (continued) 1

(5) More, Cornell, PR ..2J., 806 (1938). C 36 ns. There seems to be some uncertainty concerning
{6) Edvinsson, Kopp, Lindgren, Rslund, AF _gj,, 95 (1963). the correct identification of the B state emission.
(7) Khan, PPS 81, 1047 (1963). cAccording to (9) the tentative assignments for these two
(8) Khan, PPS 82, 564 (1963). states or substates (i.e. E and Il) should be reversed.
(9) Khan, PPS §.2., 165 (1966). dAverage values for the lower state constants of A••• D-+X.
(10) Khan, Butt, JP B 1, 745 (1968). (1) Walters, Barratt, PRS A 118, 120 (1928).
(11) Singh, Srivastava, JQSRT ~' 1443 (1968). (2) Mesnage, AP(Paris) 12, 5 (1939).
(12) Knight, Waltner, JCP ~' 3875 (1971). (J) Krasnov, Karaseva, OS(Engl. Transl.) 12,, 14 (1965).
(13) Veseth, JMS J§., 228 (1971). (4) Shukla, IJPAP ~' 855 (1970).
(14) Veseth, MP 20, 1057 (1971). (5) Reddy, Reddy, Rao, JP B ~' 574 (1971).
(15) Veseth, MP 21, 2,87 (1971). (6) Reddy, Reddy, Rao, Rao, CS 40, 186 (1971).
(16) Khan, Rafi, Hussainee, JP B 2, 1953 (1976). (7) Mims, Lin, Herm, JCP 2'.l, 3099 (1972).
(17) Khan, Rafi, Khan, Baig, JP B 2, 2313 (1976)1 10, (8) Shah, Patel, Darji, JP B .£, 1344 (1973).
111 (1977). (9) Ashrafunnisa, Rao, Rao, JP B ,£, 1503 (1973).
SrI 1 ~rom a reactive scattering study of the Sr+ HI reaction (10) Ashrafunnisa, Rao, Rao, JP B .£, 2653 (1973).
by the crossed molecular beam technique (7). The ionic (11) Dagdigian, Cruse, Zare, JCP 60, 2330 (1974).
model calculations of (3) predict ng~ 2.92 eV. (12) Kamalasanan, IJPAP lJ., 124 (1975) .•
bRadiative lifetimes measured by (11)1 A 42 ns, B 46 ns,

SrS (continued from p. 631 )1 SrSe (Table on p. 630) 1

(1) Marquart, Berkowitz, JCP J.2., 28J (1963). aThermochemical value (mass-spectrom.)(l), corrected for
(2) Colin, Goldfinger, Jeunehomme, TFS 60, 306 (1964). new value of ng(se 2 ).
(J) Cater, Johnson, JCP !±1, 5353 (1967). (1) Berkowitz, Chupka, JCP !!2, 4289 (1966).
(4) Marcano, Barrow, TFS 66, 1917 (1970).

629
 630
State T w we x e Observed Transitions References
e e
(i) Design. l v 00

88 Sr 1'-0 µ = 1J.5J25861 5 Di= 4.8 8 eva SEP 1977 A

c
B
1 I:+
1n
286J2.7
24701.0
480.2
519.9 1
z
z
2.6
J.2 4
I
o.2742b
o.29J7
0.0021
0.0015
J.5
5. 0
I 2.lJl
2.059
I c~x,c R 28546.4J z
B~x, c R 246J4.4 z
(1) (9)*
(1)(7)* (8)
Unclassified bands in the regions 14700 - 15700 and 16600 - 16900 cm- 1 • The emitter of these
bands has long been in doubt (1J)(32); in flames, and in arcs in water vapour, strong bands
attributed to SrOH occur in the same regions (11)(14). The bands have recently been ob- (J)* (16)*
served in dry Sr+ N2o +CO (or N~) flames, both in emission and in absorption (JJ) (34) (35),
and have tentatively been attributed to the transitions Jt.~ a3n and lt.,lz::-~A'lll of SrO.
A lI:+ 10886.59 619.5 8 z o.8 d o.3047 1 e 0.0011 2 3.2 2.021 A-+ X, f R 10870.40 z (2)* (4)* (5)
9 9 (12)* (16)*
(21)
A' ln 9400 g H 2.06 h 0.0017 AI-+ X, ( 29) (31)
472.8 0.2565 2.204 R 9310 H
a Jn. l.
9149i 463.5 1.61 0.2584 0.0020 2.196
x lI:+ 0 653.49 z 3.96 0.337980 0.002194 3.6 1.91983 IR spectrumj (28)
Microwave and rf sp. k.l (19)

sssr315 µ = 23.4449370 D00 = 3.48 eva SEP 1977

B lI:+ J9JJ2.l 286.80 z 0.84 o.10566b O.OOOJ2o 0.575 2.6087 B~ X, R 39281.42 z (4)*
x lI:+ 0 J88.38 z 1.31 0.12072 0.000440 o.475 2.4405

c88 >Sr<80>Se (µ = 41.8604589) DO~ 2.9 eVa

0 SEP 1977

Sr01 8From the appearance threshold of SrO in a crossed-beam calculated for a 1 I: state, and with the thermochemical
study of the Sr+ o2 reaction (25); the interpretation value (Di=
4.9 0 eV) of (6). Flame-photometric values of
of the chemiluminescence spectrum resulting from the (20)(26) are lower, even when recalculated with a 1 I:
reaction Sr+ CW 2 in a similar experiment (JO) leads to ground state, and are close to the mass-spectrometric
ng ~ 4.6 ev. Good agreement with the flame-photometric value of (18) (Dg= 4.4 eV). Earlier references have been
7 3
results (D~= 4.8 1 eV) of (15) and (10), the latter re- reviewed in these papers: see also (22).
SrO (continued): SrO (continued) 1
bseveral perturbations (9). (12) Lagerqvist, Selin, AF 11, J2J (1956).
cRKR Franck-Condon factors (24). (lJ) Charton, Gaydon, PPS A £2., 520. (1956).
d weye = -0.05 • Bandheads in the region 8959- 9166 cm -1 ; (14) Huldt, Lagerqvist, AF 11, J47 (1956).
4
originally (12) attributed to a new system of SrO, have (15) Veits, Gurvich, OS 1, 22 (1956); ~' 145 (1957); ZFK
been shown (21) to belong to the A-tX 0-J sequence. ]1, 2306 (1957).
eNumerous perturbations by levels of a Jn.1 and A' 1 n (5) (16) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
fFranck-Condon factors (17). I (27). (17) Nicholls, JRNBS A 66, 227 (1962).
gVibrational numbering (29) confirmed by isotope studies (18) Drowart, Exsteen, Verhaegen, TFS 60, 1920 (1964).
( Jl). (19) Kaufman, Wharton, Klemperer, JCP !±J, 94J (1965).
hThe rotational constants have been derived (29) with the (20) Kalff, Hollander, Alkemade, JCP !±J, 2299 (1965).
help of information gained from the analysis of pertur- (21) Brewer, Hauge, JMS .£5., JJO (1968).
bations in Al~+ (5)(27). (22) Gaydon, DISSEN (1968), p. 242.
iA = -70: all constants for this state derived by (27) (2J) Yoshimine, JPSJ .£5., 1100 (1968).
from perturbations in Al~+ (5). (24) Liszt, Smith, JQSRT 11, 104J (1971).
jin nitrogen matrices. (25) Batalli-Cosmovici, Michel, CPL 16, 77 (1972).
kBy the molecular beam electric resonance method. µel = (26) Kalff, Alkemade, JCP i2., 2572 (197J).
8.913 - o.026(v+t) D (19). (27) Field, JCP 60, 2400 (1974).
1Ab initio calculations of various ground state proper- (28) Ault, Andrews, JCP 62, 2J20 (1975).
ties (2J). (29) Capelle, Broida, Field, JCP 62, JlJl (1975).
(1) Mahanti, PR 42, 609 (1932). (JO) Engelke, Sander, Zare, JCP .£.2., 1146 (1976).,
(2) Mahla, ZP 81, 625 (19JJ). (Jl) Hecht, JCP 2...2., 5026 (1976).
(J) Gatterer, RS 1, 153 (1942). (J2) Pearse, Gaydon, IDSPEC (1976), p. JJ9.
(4) Almkvist, Lagerqvist, AF 1, 477 (1949). (JJ) Benard, Slafer, Hecht, JCP 66, 1012 (1977).
(5) Almkvist, Lagerqvist, AF~' 2JJ (1950). (J4) Eckstrom, Barker, Hawley, Reilly, AO 16, 2102 (1977).
(6) Drummond, Barrow, TFS !±1., 1275 (1951). (J5) Benard, Slafer, Love, Lee, AO 16, 2108 (1977).
(7) Kov~cs, Budo, APH 1, 469 (1952): AP(Leipzig) 12, SrS1 aThermochemical value (mass-spectrom.)(1)(2)(J).
17 (1953). bExtensive perturbations.
(8) De~zsi, Koczk~s, Matrai, APH J, 95 (195J).
(9) Lagerqvist, Almkvist, AF~' 481 (1954). References on p.629.
(10) Lagerqvist, Huldt, ZN 2 a, 991 (1954). SrSe 1 See p. 629 •
(11) Lagerqvist, Huldt, Naturw. 42, J65 (1955).

631
 632
Observed Transitions References
State w w
e xe
()(
Te e Be e De re
(lo-7cm- 1 ) (.R) Design. l voo

1s'Ta'6Q µ = 14.69587225 n00 = 8.2 eVa JUN 1975 A

Weak emission bands at 35476 and 36379 cm- 1 , no analysis. ( 7)

v (26) 5/2 [o.375]bc [3.3] [1. 749] v~x
2 , R 3328ob ( z) (7)
u (26) 5/2 [0.3715] 0 [ 3.3] [1.757 2] U-7 x
2, R 33110 (Z) (7)
T ( 26) 5/2 35954 (891) [o.37688]d [2.70] [1. 74461] T -7 x2 , R 32380.77 z (7)
s ( 26) 5/2 35864 (871) [o.37536Jd [2.79] [1. 74814] S -7 X2 , R 32280.4 0 z ( 7)
R (26) 3/2 32445 (885) [o.38393Jd [2.89] 8 [1. 72852] R-+ x1 , R 32373.60 z (7)
Q (29306) [(895)]f Q+- xl, (29240)f (6)
Q. ( 26) 5/2 27353.0 [896.1] z (4.07) o.381834g 0.00219 [2.744] 1. 73326 Q'~X z
R 23785. 20 (7)
2,
p ( 2li) 3/2 26736.19 902.68 z 4.08 h 0.00181 [2.573] 1. 74318 P~X , R 26673. 04 z (1)(2)* (4)
0.377500 1 (6)(7)
0 (26342) (913)f (4.5) o~ x , (26284)f (6)
1
0. ( 2$) 7/2 26186 (899) [0.381304] [2.745] [1. 734462] 0'-tX 2 , R 22616. 07 z (7)
N ( 2n) 3/2 25657 (900) [0.377207] [2.649] [1. 74386] N-7 x 2 , R 22087. 7 0 z (7)
N~X , R
1 25593.13 z (6)(7)
z (2)* (4)(6)
M (2$) 5/2 24123.7 [890.31] z 4.1 H 0.377064 0.00184 [2.635] 1.74419 M~X
1 , R 24058.42 (7)
(2)* (4)(6)
L (2Il) 1/2 23408.3 [887.70] z 4.1 H 0.37742 4 i 0.00195 [2.706] 1 , R 23341. 74 z
1.74335 L~X
(7)
K ( 2$) 7/2
• 22981.53 903.06 z
3.56 0.38081 0.00192 [2.756] 1.73559 K'-4X 2 , R 19413. 32 z (7)
(22J96) f K~X , (22J33)f ( 6)
K (901.7) (3.34) 1
J (22196) ( 892) f (3) J~ Xl' (22128)f (6)
(I) Ne matrix emission and absorption spectra suggest the existence of an additional state close to H. (6)
H (20868) [(900)]j H~X ,
1 (20805)j (6)
G G+- x 1 , (18007)f ( 6)
F (16770) [ (922) l F+- x 1 , (16718)f (6)
Incompletely analysed emission band. R 16051 z ( 7)
2 [ o. 38618]k E':-? x1 R 15880.6 2 Z-
E ( $) 5/2 15928 (935)f (5)
I [3.26] [i. 7234 8] (6)(7)
 1(10-~:m-1 )
State Te w
e wexe Be ae re Observed Transitions References

I I I I (~) Design. l voo

1s1Ta'bO I
(continued)
D (14437) (943)1, D~X (14395)fm (6)(7)
1,
c (26) 3/2 1J612 (942) [ 0..)87 547] [2_.624] [l. 72044 J c~x
1 , R 13569.27 z (6)(7)
B ( 2~) 5/2 12900 (931) [0.386851] [2.674] [1. 72198] B~X , R
1 12852. 02 z (6)(7)
A (12134) [(939)]n A~X ,
1 (12090) 0 (6)(7)
A. ( 2n) 1/2 [ o. 389] [l. 717] A'~ X , R
1 11062 ( z) (7)
A 26) J/2 10908
11
( (9J3) [0.38729 1 ] [2.668] [1. 72100] A"-+X 1 , R 10860.95 z (7)
X2(26) 5/2 3504.)9 1030.81 z 3.59 o.40358 4 0.00187 [2.503] 1.68591
xl 3/2 0 1028.69 z 3.51 o.40284 0 0.00182 [2.450] 1.68746 IR spectrumP (6)

1s1Ta.'60 + ? JUN 1975

A-+X,a R 17880.41 z

l l l
A 17933 (952) o. 3906 0.0022 2.63 1. 7137 (1)
(X) 0 [1051.12] z (J.41) o.4128
7 0.00181 2.52 1.6668

Ta01 aAverage of two thermochemical values (mass-spectrom.) Tao (continued) 1

bThis level could possibly be T(v=l). 3) (5).I ( °From (7); the observed band is too weak for analysis.
cExtensive perturbations. Prn rare gas matrices.
dPerturbations.
e(7) give 2.289 which appears to be a misprint. (1) Premaswarup, IJP .£2., 109 (1955).
fFrom the Ne matrix absorption spectrum. (2) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
gPerturbations in v=O. (J) Inghram, Chupka, Berkowitz, JCP _g_z, 569 (1957).
hv=l perturbed by a state of higher B value. (4) Premaswarup, Barrow, Nature 180, 602 (1957).
iA-type doubling 6v(v=O)= o.0927(J+!). (5) Krikorian, Carpenter, JPC £2, 4399 (1965).
jFrom Ne matrix absorption and emission spectra. (6) Weltner, McLeod, JCP 42, 882 (1965).
kPerturbed by a state of larger B value. (7) Cheetham, Barrow, TFS 2J, 18J5 (1967).
!Calculated from Ta 18 o frequency in neon. Ta0+1 aP, Q, R branches, probably singlet system.
min the gas phase probably at 14362 cm- 1 • (1) See ref. (7) of Tao.
nFrom the Ar matrix absorption spectrum.

633
 634
De Observed Transitions References
State w
exe
w B ()(
Te e e e re
(lo- 8 cm- 1 ) (i) Design.
1 voo

is9Tb2 µ = 79.462693 0
Do = 1..32 eVa JUN 1975

1s9Tb'60 µ = 14.5J2J2146 0
Do :c: ?.Jo eVa JUN 1975 A
Mostly R shaded emission bands in the region 15400 - 19000 cm- 1 ; no analysis. (l)* (2)
x 0 [824.J]b
J l l (5)

t3oTe 2 µ = 64.95.31160
0
Do = 2.677 eVa I.P. = 8.29 eVb NOV 1977
1
Large number of absorption bands, 40000- 52000 cm- (7)(8); tentative assignments to several systems (8). There are
rather frequent coincidences with bands attributed to Tes and TeSe, see (1) and (2) of Tes and Tese, respectively.
B
B
1
2( Jl:-) u
u O+ 22207.4 162.J2d z o.45Je
O.OJ016c
o.032535f 0.000125 2.8244
I
B2->X2• R
( 2128 2. 4) c z (22)*
Bl 4'X 2 , R 20188.6 z (19)(22)*
1 u
B (--+ x , gh R 22165.0 z (10)* (11)
1 1 (15)* (17)
A a+
u 19450.8 143.588 z o.454.3 1 O.OJ12J8j 0.000130 2.8824 A~X ,g R 19399.l
1 z (17)(22)
x 1 1974.97 250.033 z 0.5155 0.039820 0. 0001002kl 2.5530
2(JE-) g
x1 g o+g 0 247.07 z 0.51481, o.039681j 0.000106 [0.44] 2.5574

c13o>Te2+ (µ = 64.9529783) 0
Do = J.4o evm NOV 1977
D ( 2Il u ) JJ2.30
c (2E-)
g 28790
B (2n ) 26450 From the photoelectron spectrum (20)(2J)1 the identifications
u of the peaks are tentative, no vibrational structure has been
b (4E-) 21940 observed. There are additional peaks corresponding to higher
g
A ( 2n ) 14520 ionization energies.
4 u
a ( nu) 9030
x ( 2ng,r ) .3790
0
Tb 2 1 a.rhermochemical value (mass-spectrom.)(l).
(1) Kordis, Gingerich, Seyse, JCP 61, 5114 (1974).
Tb01 aThermochemical value (mass-spectrom.)(3), re-
calculated ( 4) •
bFrom the IR sp. of Tb 16 o in argon at 15 K; for Tb 18 o at
781.7. Derived constants we= 828. 4 , wexe= 2.1 (5).
(1) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
(2) Herrmann, Alkemade, "Chemical Analysis by Flame
Photometry", 2nd rev. ed., Interscience (1963).
(3) Ames, Walsh, White, JPC 11, 2707 (1967).
(4) Smoes, Coppens, Bergman, Drowart, TFS Q..2, 682 (1969).
(5) Gabelnick, Reedy, Chasanov, JCP 60, 1167 (1974).
Te 2 , Te 2 + 1
~eighted mean (17) of several values obtained by spec-
troscopic (14)(17) and thermochemical (12)(18) methods
and from a photoionization threshold (13).
bBy photoionization mass-spectrometry (13)(16). Similar
values from the photoelectron spectrum (20)(23).
cConstants for the only observed vibrational level of
this state, from laser-excited fluorescence spectra.
The v numbering is unknown (probably 6 ~ v' I:; 10).
dThe vibrational numbering adopted here was first sug-
gested by (4) and has recently been confirmed by
isotope studies (14)(15)(17); v' has been increased by
+3 units compared to the numbering used by (1)(9a)(l0).
ew y = -0.01109 (for v <. 20, see f).
e e
fNumerous local perturbations. A much stronger homogeneous
perturbation affects levels with v~20 (14)(15)(17). Pre-
dissociation above v=23 (2)(4), i.e. at ..-v25600 cm-l above
x1 o;(v=O); induced predissociation below this limit (3)
(4)(6); accidental prediss. of the vibrational type (9).
gRot. analyses of bands of 128 Te 2 (17), extended by (19).
Te , Te + (continued)1
2 2
hcontinuous emission with maximum at 19200 cm-l has been
interpreted as recombination continuum (5).
iw. e y e = -0.003892.
Jpotential curves (21).
kr =+2.2x10-7.
J., e
w y = -0.00055 (17).
e e
mFrom D00(Te 2 ) + I.P. (Te) - I.P. (Te 2 ).
(1) Rosen, ZP !±J, 69 (1927).
(2) Hirschlaff, ZP 1.2, 315 (1932).
(J) Kondratjew, Lauris, ZP ~' 741 (1934).
(4) Olsson, ZP .22, 215 (1935); Dissertation (Stockholm,
(5) Rompe, ZP 101, 214 (1936) I PZ J.Z, 807 (1936). 1938).
(6) Olsson, CR 204, 1182 (1937).
(7) Choong, AP(Paris) (11) 10, 173 (1938).
(8) Migeotte, MSRSL (4) j, 3 (1942).
(9) Rosen, PR 68, 124 (1945).
(9a)Herzberg, MOLSPEC 1 (1950).
(10) Prasad, Rao, IJP 28, 549 (1954).
(11) du Parcq, Barrow, CC (1966), p. 270.
(12) Budininkas, Edwards, Wahlbeck, JCP 48, 2870 (1968); j1,
(13) Berkowitz, Chupka, JCP ..2.Q, 4245 (1969). I 1686 (1969)
(14) Jha, Rao, CPL J, 175 (1969). (erratum).
(15) Jha, Subbaram, Rao, JMS J,g, 383 (1969).
(16) Guyon, Berkowitz, JCP ..2!±, 1814 (1971).
(17) Barrow, du Parcq, PRS A .J£Z, 279 (1972).
(18) Smoes, Mandy, Auwera-Mahieu, Drowart, BSCB 81, 45 (1972).
(19) Yee, Barrow, JCS FT II 68, 1397 (1972).
(20) Berkowitz, JCP 62, 4074 (1975).
(21) Rao, Rao, Rao, SpL ~' 745 (1975).
(22) Stone, Barrow, CJP ..2.J, 1976 (1975).
(23) Streets, Berkowitz, JESRP 2, 269 (1976).
635
 636
State Te w we x e Be ae De re Observed Transitions References
e
(10- cm- 1 ) (i) Design.
l voo

c13o>re (79> Br (µ = 49.0937606) NOV 1977

B (4Jl25)a 314.2 H 0.5 Bf- X, v 414JO H
(l)*
4)148 H
x (2Ili) (1718)a
267.4 0.7
0 H
I I I
(lso>Te (35>Cl (µ = 27.5522041) NOV 1977
B (44262)a 458 H B~X, v 42624 H
(l)*
1. 5 44298 H
x ( 2n i) (1674)a
0 [386] H

<•3o>Te'H (µ = 1. 00006661) I.P. = 9.0

9
eVa NOV 1977
....
T .... N- x1 , 69589
p
s S+- Xl' 68729
R R+- Xl' 67797
Q Q-E- X1' 66711
p P+- x1 , 62150
0 Very strong. Only single absorption bands have been observed O+- X1 , 60753
N > without vibrational structure. According to (2) N+- x2 , 56850
none of the bands shows any significant shift on N~Xl' 60680 ;; (2)*
H deuteration. H+- Xl' 58824
D D+- Xl' 55006
c Very strong. C+- x 2 , 45872
C+- x1 , 49702
B B+- x1 , 46404

xX2c2n.)
1
1
(J830)b
0
l [5.56]
l l [1. 741] EPR sp. (1)
 State Te we wexe Be Cl..e De re Observed Transitions References
(10- cm-1 ) c.R) Design.
l voo

(13o>Te 1111 (µ = 64.1939053) NOV 1977

-
_L
c 43658 251.8 H 0.5 c~ x, v 43675 H
(l)*

B 41057 260.2 H 1.4 Bf- X, v (39263)a (l)*

41078 H
x ( 2n.) (1815)a
l. 0 217.3 H o.6

TeBr, Teets TeSe (see p.639 )1

aAssuming that there is no spin-orbit splitting in the aThermochemical value (mass-spectrom.)(l), corrected for
B state. new values of ng(se 2 ) and ng(Te 2 ).
(1) Oldershaw, Robinson, JMS Jl, 314 (1971). bThe band structure is somewhat diffuse suggesting predis-
sociation (2)(3).
Te 1Hs 8From a tentative interpretation of several Rydberg cAll constants for these states are derived from laser-ex-
series (e.g. C,P,Q, ••• ) by (2). cited fluorescence spectra. In carrying out the analysis it
bFrom the interpretation of the VUV absorption spectrum was necessary to assume the value of the rotational con-
(2); from the paramagnetic resonance spectrum (1) ob- stant Be for the ground state (3), see f.
tains A0 = -2250. dFrom the B1 -+ x1 and B1 -+ x2 fluorescence series.
(1) Radford, JCP 40, 2732 (1964). eCombined results from fluorescence and absorption spectra.
(2) Donovan, Little, Konstantatos, JCS FT II 68, 1812 fEstimated value (3) assuming re(TeSe) ~ ![re(Te 2 )+re(se 2 )].
(1972). (1) Porter, Spencer, JCP 1£, 943 (1960).
(2) Joshi, Sharma, PPS .2..Q, 1159 (1967).
TeI1 ~entative, based on a single band head.
(J) Ahmed, Barrow, Yee, JP B ~. 649 (1975).
(1) Oldershaw, Robinson, TFS§]_, 907 (1971).

637
 638
State T w we x e B ore De re Observed Transitions References
e
e e
(lo-7cm- 1 ) (.R) Design. l v 00

130Te'E>Q µ = 14.24141745 °
n 0 f 3.90 eva I.P. = 8.72 eVb NOV 1977
Fragment of an absorption system in the region 32700 - J6000 cm -l; it is not certain that (1)
these bands are due to Teo.
A2 1 [28719] c [o.2771]d (0.004) [2] [2.067] A2-+X2, R 27641. 9 5 I z (2)* (3)*
Al o+ (28212) [444.95] z e
I
o.276odf 0.0052 4 I
2.071 I
A1 ~x 1 , R 28037.04 z (2)* (3)*
Unclassified emission bands 16000 - 20000 cm- 1 • (2)
x2 1 679g 798.06 z 4.oo 0.3564h 0.00236 3 1.8224
xl o+ 0 797 .11 z 4.oo 0.3554 0.00237 2.7 1.8250

<t?.o>Te'~o+ NOV 1977

(2n) (J8470)
B (22:) 26450
b
A
(42:)
(2n) } (19760) From the photoelectron spectrum (5). Identifications are tentative, no vibrational struc-
ture was observed. Numbers in parantheses refer to peaks overlapped by impurities.
a (4n) !6780
x 2
( n) J/2 (4840)
1/2 0

130Te32.S = 25.6573697 0
µ DO = (J.5) eVa
ID b
NOV 1977
D2 x + 42199 [526] H
2 +-X 2 , Y 42226 H (l)*
Dl 4J28J 524.2 H o.s D1 +- x1 , V 43310 H (l)*
o+ c~x ,
c [ O. 08115]c [J.5]C [2.845 4 ]c 1 R 26886.96cz (3)
B o+ 245JO 250.Jd z (3.J?) o.1027d 0.00120 (1.1) 2.529 B~ x1 , R 24419d Z ( 3)
A o+ d z 1.018 d 0.00075 (0.7) 2. 594 A~ x 1 , R 23415.4d Z
23549 204.23 0.09762 (J)
x2 1 xe (472) H
xl o+ 0 471.lBf z ( 1. 57) 0.1J216g o.0005og o.4o 2.2297
 State Te we we x e Be ~ De re Observed Transitions References
(lo-7cm- 1 ) (R) Design.
l voo

r1sre 7sse µ = 48.4203961 D00 = 3.0 eva NOV 1977

Unclassified absorption bands 43900 - 46500 cm -1 (Z)
40703.0 HQ
Dz
Dl
42232.3
42168.4
353.3
355.6
H
H
1.0
1.0 }Double-headed bandsb Dz~ xz, v
Dl ~ Xl' v 4Zl88.0 HQ
(2)* (3)
(Z)* (J)
c c v(2-0) = 22490
1 Bz=0.0477 r 2 = 2.70 2 C-+ X2' ( 3)
1 z3596 c [o.o48] z1986
B2 [191. 5] [2.69] B2 __,. Xz, (3)
o+ c [189] 0.0497 21781
Bl Z3393 2.647 Bl~ Xz, (3)
Bl -+-Xl' z3329.1 ( 3)
A o+ c A-+ X1 , (J)
v(Z-0) = Z2052
X2 1 1547.2d 317.39e 0.7175 (o.0619)f (2.372)
xl o+ 0 316.24e 0.738 (o.0619)f (0.00018) (0.095) (Z.37z)

Teo, Teo+, Teo, Teo+ (continued):

aFrom the predissociation in A O+ (see f).
1
bFrom the photoelectron spectrum (5).
c(3) give, without details, 6G(~):::: 458 for lZ 8TeO. (2), by
contrast, suggest we=408, wexe=4.o. According to (3)
this state is predissociated between v=2 and 3.
dExtensive perturbations.
e6G(3/2) = 409.9, ~G(5/2) = 393.4, M(7/2) = 364.53. From v=3
to 10 the vibrational intervals are quite well represented
by we= 410. 71, w0 xe = 5. 772; large deviations occur below
and above these limits. Vibrational levels observed to v~
15. The v• numbering has been established from isotope
shifts (J) and has been increased by +J units compared to
the numbering used by (1) and (2).
fAbsorption lines become diffuse above J'~4z and 14 in v'=9
and 10, respectivelyJ the highest observed level in emis-
sion is v'=9. The predissociation limit (NJ1450 cm- 1 ) is
assumed to correspond to normal atomic products.
gEstimated (4) from the magnitude of the Il-type doubling
~B~l+) - B(l-) ~ +0.00066 (4). I
in Xz 1 (see h).
1
Do(Te0) + I.P. (Te) - I.P. (Teo).
(1) Choong, AP(Paris) (11) 10, 173 (1938).
(Z) Haranath, Rao, Sivaramamurty, ZP 12..2, 507 (1959).
(J) Chandler, Hurst, Barrow, PPS 86, 105 (1965).
(4) Barrow, Hitchings, JP B j, Ll3Z (197Z).
(5) Potts, Williams, CPL 4Z, 550 (1976).
Tess See p. 641 •
TeSe 1 See p. 637 •

639
 640
State Te w
e wexe Be «e De re Observed Transitions References
(lo- 7cm-1 ) (i) Design. l voo

231Th<">B (µ = 10.5106174) 0
D0 = J.OJ eVa JUN 1975

i32Th',,.N µ = lJ.20610977 D00 = 5.9 0 eVa JUN 1975

232Th''O µ = 14.96345018 D00 = 9.00 eVa I.P. ~ 6.0 eVb JUN 1975
A good reproduction of the arc spectrum from 11400 to 27800 cm-l can be found in (1).
Sequence of R shaded bandsJ no analysis. R 24291 H (l)*
O.Jl86J6ce 0.001244
K ln 22683.48 [795.47] z (2.JO) o.318642de 0.001325
t2.007j
2.025 1. 880JJ K-f'X, R 22635.65 z (4)
ln 861.41 z 5.27 o.325857ce o.00139of t2.059r M-i-X, R 21734.32 z (4)*
M 21752.2 o.325754de o.001398g 2.051 g 1.85953
Sequence of R shaded bands; no analysis. R 21407 H (l)*
I ln 19586.29 800.85 z 1.47 o.330434ch 0.001825.i 2.360~ 1.8486 I 4>X, R 19539.06 z (3)* (6)
o.32s921dh o.00190 6 J 2.218J
F lL:(+) (18406) [757.36Jk z [0.321397] k [2.042]k [1. 87224 J F-+X, R 18337.56 z (2)
G (l~).t, 18038m 816 2.4 o.318192h 0.001276 [1.936] 1. 88165 G....,.H, R 12693.35 z (2)* (3)* (6)
E lL:(+) 16353. 60p 829.26 z 2.30 0.323090 0.001303 [l.990] 1.86733 E~X, R 16320.37 z (2)(6)
D ln l8J4.22] z (2.49) o.325691d 0.001357 tl. 997j 1.866 D-+X, R 15946.22 z (2)(6)
15974.53 0.321549C 0.001293 1.850
-1
Strong unidentified head at 15606 cm • R (l)*
c ln 0.322455~
z (2.39) I 0.321617 0.001281 I tl. 93lj c-..x, R 14490.02 z (2)(6)
14520.35 l830.33] 0.001287 1.873 I 1.8704
Violet degraded bands in the region 13700 - 14100 cm-1. No analysis. v (l)*
B ( 1 n).t, 11155.57 842.80 z 2.18 o.324973c 0.001299 tl. 942j 1.8638 B-+X, R 11129.14 z (2)* (6)(7)
0.32364 d 0.00129 1.882
A (lL:+).t, 10625.54 [841.48] z (2.44) 0.323044 o.ooi294 [1.866] 1.86746 A-+X, R 10600.82 z (2)* (6)
H ( l~ ).t, 5321 (864) (2.4) 0.326427 0.001253 [1. 864 J 1. 85776
x lL:(+) 0 895.77 z 2.39 0.332644 0.001302 [1. 833] 1.84032 IR spectrumn (9)
ThB1 ~hermochemical value (mass-spectrom.)(l). ThO (continued) 1
(1) Gingerich, HTS 1, 258 (1969).
ThN1 ~hermochemical value (mass-spectrom.)(l).
(1) Gingerich, JCP ~' 19 (1968).
ThOs aThermochemical value (mass-spectrom.)(8). (11) prefer
8.7 ev, the difference being largely due to the choice
9 (1)
bBy electron impact (10)(11).1 of free energy functions.
ce levels.
df levels.
ev=O and 1 of K are perturbed by v=l and 2 of M, respec-
tively. The constants given are deperturbed values. An
unidentified third state interacts strongly with M (4).
fB 2 = 0.321741 n 1 =Z~l78x10-7, Dz= 3.02x 10-7.
gBz = o. 32218; n1 = 2. oz6 x lo-7, Dz= 2.zz x lo-7.
hPerturbations in v=O,l,Z, ••• of I by v=Z,3,4, ••• of G,
respectively. All constants are deperturbed values.
~de= +o. 000106: fie= +o. 055 x 10-7.
Jre=+o.000063; f3e=-o.015x10-7.
kF 1 E is perturbedr B = o.3Z4Z61, n 1 =3.zo x10-7.
1 5
!According to (5) these states should be identified as
H 361' A 3no+, B 3nl, G 34z·
mFrom the analysis of perturbationsr see h
nin Ar matrix at 15 K.
Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
(2) Edvinsson, Selin, islund, AF JQ, 28.3 (1965).
(J) Edvinsson, von Bornstedt, Nylen, AF .1§., 193 (1968).
(4) von Bornstedt, Edvinsson, PS~' 205 (1970).
(5) Edvinsson, Thesis (Stockholm, 1971). USIP Report 71-09.
(6) Wentink, Spindler, JQSRT lZ, 1569 (1972).
(7) Zare, Schmeltekopf, Ha~rop, Albritton, JMS 46, 37
(197.3).
(8) Ackermann, Rauh, HTS j, 463 (1973); JCP 60, Z266 (1974).
(9) Gabelnick, Reedy, Chasanov, JCP 60, 1167 (1974).
(10) Rauh, Ackermann, JCP 60, 1396 (1974).
(11) Hildenbrand, Murad, JCP 61, 1232 (1974).

Tes (Table p. 638)1 Tes (continued)1

~stimated (Z) by comparison with other molecules of V shaded UV absorption bands.
this type. i) = 468 • 04.
f 6G (
binterpretation by (4). g( J) give Be= 0.13220, ~e = O. 000545 which do, however, not
cOnly one band observed; its isotope shift indicates a reproduce B0 and B1 as determined by them.
fairly high value of v•.
(1) Mohan, Majumdar, PPS 1J.., 147 (1961).
dLong extrapolation from high vibrational levels; only
(2) Drowart, Goldfinger, QR 20, 545 (1966).
v=7,8 of B o+ [6G(7~) = 196.J9] and v=ll ••• 15 of A o+ (J) Barrow, Dudley, Hitchings, Yee, JP B j, Ll72 (1972).
have been analyzed. The v numbering derives from isotope
(4) Barrow, Yee, APH J..5., Z39 (1974).
shifts of levels which are often perturbed.
ex~ 1084 according to the interpretation by ( 4) of the

641
 642
State w w x B ae De re Observed Transitions References
e e e e
(lo- cm-1 ) (i) Design. l
= 27.3261175 0
µ Do = J.86 eVa JUN 1975

0 eva
(µ = 2J.97J9746) Do = l.Jo JUN 1975

{4s>rt. (79> Br (µ = 29.8264609) JUN 1975

Complex spectrum consisting of a large number of bands in the regions 2)000 - 24100, 24600 - (1)(2)
24900, 25700- 26400 cm- 1 ; in emission and in absorption. Tentative vibrational analyses.

(µ = 20.2212912) l
Fragments of additional systems in the region 24600- 26400 cm- 1 ; in emission and absorption.
JUN 1975
(2)(5)
Complex spectrum of mostly V shaded bands, 23500- 24700 cm- 1 ; in emission and absorption.
Tentative vibrational analyses (2)(J) suggesting a 4 n- 4 ~ transition are suspect in view of (1) (2) (J) (4)
more recent work (7) which indicates that of several distinct band systems present in this (5)(6)
region the most prominent one is 2 ~ - 2 11.

(µ = 13.6069328) JUN 1975

R shaded bands in the region 26450- 27450 cm- 1 1 in emission and absorption. (2)(3)
Weak system of V shaded bands, 25600- 25850 cm- 1 ; in emission and absorption. (2)(J)
V shaded bands in the region 24450 - 25400 cm- 1 , tentatively attributed to a 4 n- 4 L: tr an-
(2)(J)
sition; both in emission and in absorption.

(µ = 0.98707768) JUN 1975

(µ = l.93290844)
Open but complex rotational structure in absorption in the regions 18200 - 19200b, 19550 - (l)* (3)
19900, 20800 - 21JOOC cm- 1 •

JUN 1975
Sequence of R shaded emission bands 24705 - 24748 cm- 1 • V shaded em. b. 22200 - 22600 cm- 1 • (1)
ThPs aThermochemical value {mass-spectrom.)(l).
(1) Gingerich, HTS 1, 258 (1969).
aThermochemical value (mass-spectrom.)(l).
(1) Kant, Lin, JCP ..21, 1644 (1969).
TiBr1 (1) Chatalic, Deschamps, Pannetier, JCPPB §:]_, 316
(1970).
(2) Sivaji, Rao, JP BJ, 720 (1970).
TiCl1 (1) More, Parker, PR 2,g, 1150 (1937).
(2) Rao, IJP £2, 5J5 (1949).
(J) Shenyavskaya, Kuzyakov, Tatevskii, OS(Engl. Transl.)
12, 197 (1962).
(4) Parkinson, Reeves, unpublished; quoted by Nicholls,
Parkinson, Reeves, AO£, 919 {196J).
(5) Chatalic, Deschamps, Pannetier, CR C 268, 1111
(1969).
(6) Diebner, Kay, JCP 21, J547 (1969).
(7) Dunn, Lanini, work reported in progress in News-
letter No. 78 [ed. Phillips, Davis, U. of Cali-
fornia (Berkeley, March 1972) ].
Tio (continued from p. 647 ) 1
(54) Rauh, Ackermann, JCP 60, 1396 (1974).
(55) Collins, JP B ~' J04 (1975).
(56) Zyrnicki, JQSRT 1.2, 575 (1975).
(57) Liu, Wahlbeck, JCP §], 1694 (1975).
(58) Brom, Broida, JCP §J, J718 (1975).
(59) Feinberg, Bilal, Davis, Phillips, ApL 12, 147 (1976)r
Feinberg, Davis, JMS .£2, 264 (1977).
TiF1 aEstimated from thermochemical data (1).
(1) Zmbov, Margrave, JPC 1.!, 289J (1967).
(2) See ref. (6) of TiC£.
(3) Chatalic, Deschamps, Pannetier, CR C £Z.Q, 146 (1970).
Ti 1 H, Ti 2H1
aTheoretical predictions of (2).
bPartial rotational analyses (J) of two V shaded subbands
of Ti 1H with P heads at 18576 and 18646 cm-1 give the
lower state constants B"= 4.956 and 5.22, respectively.
The upper states are strongly perturbed. The bands have
P, Q, and R branches.
cDiffuse.
(1) Smith, Gaydon, JP B ~' 797 (1971).
(2) Scott, Richards, JP B 1, 500 (1974).
(J) Gaydon, JP B 1, 2429 (1974).
Tiis (1) Sivaji, Rao, Rao, CS J2., 153 (1970).
(60) Hildenbrand, CPL 44, 281 (1976).
(61) Dubois, Gole, JCP 66, 779 (1977).
(62) Linton, Broida, JMS 64, J82, J89 (19.77).
(6J) Sheldon, Gilles, JCP 2£, 3705 (1977);
Wheatley, Sheldon, Gilles, JCP 66, 3712 (1977).
643
 644
State Te we wexe Be ae De· re Observed Transitions References
( 10-7cm-1 ) (i) Design. l voo
48 Ti 1 ~N µ = 10.83789517 n00 = 4 .9 eva MAY 1976
Additional bands in the region J04oo - 33800 cm-1 : in absorption and in emission. (1)
B 2E (0.5745] [6.4] (1.6454] B-tX, R 2J487.J z (6)
A 2n b c [o.6103]d A-tX, R 16197. 25° Z (4)*
[13] [l. 5964]
x 2Er 0 c [0.6211] [lJ] [1.5825]

'""
1
>Ti 1'0 (µ = 11.99388519) °
n 0 = 6.87 eva I.P. = 6.4 evb
R (J0422) H
NOV 1977 A
Very weak progressi<>n (w; ~ 994, w;x; ~ 5) of R shaded bands in emission from flames. (J4) (44)
(30367) H
D (31920) [(1040)] D+-+ X, c (31940) ( 34) ( 36 ) ( 44)
(61}
e lE+ a+ 26598. l [845.2] z 4.2 H o.4892d 0.0023 [4.7Jd l.6950 e+-+ d, R z
24297.5 07)* (42)*
(52}
f lA a+(19132) (890) [0.50221] (6.4] (1. 67292] f.(-+ a, e R 19068.93 z (43}* (52)
c l~ a+ 17890.2 [909.6] z 4.1 9 H o.523of 0.00313 [3.9]f 1.6393
I
cg+-+ a, eh
ft bands
R
17840.6 z
(J)(6)*
(14)* (29)
03)(41)(51)
{2)* (4)(9)
19617.0 C+-+ X,mn R 19334.03 z (11) (14 )*
c 3A r 19525.5 838.26 z 4.76i o.48989jk 0.00306.l 6.7 l.69383 IX bands
1934J.66 z (20) (21) (Jl)
19427.12 19341.68 z (J 3 ) ( 4 5 ) ( 48 )
(49)
C-ta, 0 (62)
16331. 3 16066.7~ z {5)(14 )*
Jn B~X,m R (17)(18)(24)
B r 16315.l 875 H 5 [o.50617]jp [6.86] [l.66636] r'bands 16151.6 z (31)* (38)*
16293-5 16226.4 z (48)(55)
b~d, e R (15)(19)(29)
b ln a+ 11322.0 [911.20] z (3.72) o.51337r 0.00291 6.1 l.65464 90.54.02 z (JO) ( J 3) {49)
3 <f bands (52)(58)
b+-+a, e R
z ( 6) * ( 29 )( JO)
&bands 11272.82 (33)(52)(.58)
·(b-+X),s (14710) (58)
 State Te we we x e Be «e De re Observed Transitions References
(10-7 cm- 1 ) (~) Design. I voo

{ll-a>Ti. 1'0 (continued)

z (l)(J)(7)*
A Jqi r
144Jl.O
14262.8 867.78 z 3.942 o.50739j o.00315t 6.92t
A~X,mn R 14163.00
14095.88 z (10)(11)
1.66436 bands (14)* (21)
14089.91 0 14019.43 z ( 31 ) ( 48 ) ( 49)
E~X,u 11871 H
E Jn 12025 924.2 H 5·1 11886 H (J6)(62)
E bands
11899 H
d lE+ a+ 2215.6 [1014.6] z (4.64) 0.54922 0.00337 [6.o] 1. 5997 2
a 16 av [1009.3] H 3.93 0.53760 0.00298 5.9 1.61692
w
197.5w
x 36
r 96.4 1009.02 z 4.498X 0.5:3541 j o.00301Y 6.03Y 1.62022 Rotation-vibr. sp. z
0

TiNa 8.rrhermochemical value (mass-spectrom.)(5). See also
bAo=+l56.70; slight J dependence.
0
I (2)()).
0-0 sequence onlys the R2+Q 21 and Q1 +R 12 heads of the
0-0 band are -at 16285.8 and 16125.8 cm~ 1 , the corres-
ponding heads of the 1-1 band at 16193.2 and 16035.2.
dA-type doubling in 2n!9 6v= 0.037(J+i). Perturbations.
eRef ers to the zero-point of the Hill-Van Vleck expres-
sion in the upper state. (4) give 16197.52, in poor
agreement with our recalculated value 16197.21. We as-
sume that the former is intended to be 16197.25.
(1) Parkinson, Reeves, CJP 41, 702 (1963).
(2) Carlson, Claydon, Moser, JCP 46, 4963 (1967).
(3) Gingerich, JCP 1.2_, 19 (1968).
(4) Dunn, Hanson, Rubinson, CJP 48, 1657 (1970).
(5) Stearns, Kohl, HTS~' 146 (1970).
(6) Bates, Ranieri, Dunn, CJP ~' 915 (1976).
Ti01 aThermochemical value (mass-spectrom.)(27)(35)(57)(60);
different values have been proposed by (26)(28)(40). See
also (12)(13)(47)(63). A lower bound of 6.9 eV for the
3
dissociation energy has been deduced by (61) from the
study of chemiluminescent spectra resulting from the re-
actions Ti+ o2 and Ti+ N2o.
bElectron impact appearance potential C54).
cMultiple heads in flames. Absorption in a neon matrix at
4 K. Analysis uncertain.
dPerturbations in v=O and 1 by levels of smaller B values
(52). D1 =9. 1 xlo-7.
eAbsorption in stellar atmospheres.
fThe data suggest a slight perturbation of v=O by an un-
identified level of smaller B value and lower energy.
n1 .•• n3 ( 10 -7 cm -1) = 5 • 8 , 6 .9, 7.5, Ho= -2.3x 10 -11 •
gRadiative lifetime ~(v=O)= 17. ns (59). See h.
5
hThe absolute transition probabilities of (56) are in gross
(continued p. 646 )

645
 646
State Te w (1) x Be «e De re Observed Transitions References
e e e
(10-7cm- 1 ) (R) Design. voo

('f-s)Ti 31 5 (µ = 19.1816179) D00 = 4.7 eva

5
JUN 1975
(11806) 484.12 z 2.55 0.18905 o.00102b [1. 22] 11582.25 z
c J,H (11716) 484.JO z 2.515 0.18820C
[0.18684]
o.00099d
e
[1. 20]
[1. 06]
2.1610 c~x, R 11587.05 z
z
(4)
11624.J 11585.Jl
(185)f [558.17] z 0.20344 0.00092 [1.12]
(x}J,H (90)f [558.JO] z (1.95) 0.20268 0.00092 [1.095] 2.0825
0 [558.J7] z 0.20180 0.00090 [1.0J5]

Clf.8>Ti c1so>Te (µ = J5.021596 7 ) 0

DO = 2.94 eva JUN 1975

TiS1 aThermochemical value (mass-spectrom.)(J); see also (1) Tis (continued)s

bfe= -0.0000ly I
[quoted in (2)]. (2) Suzuki, Wahlbeck, JPC 1.Q, 1914 (1966).
cSmall perturbations in v=O. (J) Smoes, Coppens, Bergman, Drowart, TFS .£2, 682 (1969).
d
re= -0. 000019. (4) Clements, Barrow, TFS .£2, 116J (1969).
eExtensive perturbations.
fEstimated from the effective B values. TiTes aThermochemical value (mass-spectrom.)(l); no details.
(1) Franzen, Thesis (U. of Kansas, 1962). (1) Bergman, Coppens, Drowart, Smoes, TFS 66, 800 (1970).

Tio (continued) 1 Tio (continued)s

disagreement with the lifetime measurements of (59). nElectronic oscillator strengths for the~ system (39)(50),
iw y = +0.047.
. e e for the rbands ( 39) •
JFor spin coupling constants (spin-orbit, spin-spin, spin- 0
only three lines [R(l6), Q(l7), P(l8)] of the Jt. -+ 1 t. 2-0
3
rotation) see (48), also (2J)(25)(J2). band have been observed in laser-excited photoluminescence.
kLevels with v ~ 4 are perturbed ( 4 5) ( 48) • The perturbing PT he A-type doubling in Jn , t.v = 1. 60 cm -l, is nearly con-
0
(singlet? ) state has B ~ 0.510, w ~ 900. stant up to J~65, then diminishes and changes sign for
J.,
fe = -0.0000JO. I
qv 00 c3n 1-Jt. 1 ) = 16248.o, v 00 (3n 2-Jt. 2 ) = 16167.8. J > 120.
mAbsorption in stellar atmospheres. Also observed in ab- rA-type doubling t.vfe= +0.00014J(J+l).
sorption in rare gas matrices (24)(36). sin neon at 4 K.
Tio (continued): Tio (continued)s
t'te=-0.000010: f3e=+o.02x10-7. (21) Ortenberg, Glasko, SAAJ £, 714 (1963).
uAbsorption in a neon matrix at 4 K. (22) Carlson, Nesbet, JCP 41, 1051 (1964); Carlson, Moser,
v a= 3440 ± 10 cm-l (62), based on the identification of JCP 46, 35 (1967).
three lines of the C~a 2-0 band (see 0 ). A similar (23) Kovacs, JMS 18, 229 (1965).
(24) Waltner, McLeod, JPC Q-2., 3488 (1965).
value (a~ 3500) follows from the assignment (58) of the
(25) Taros, APH 20, 91 (1966).
b4X intercombination transition in neon. Qualitative (26) Wahlbeck, Gilles, JCP 46, 2465 (1967).
agreement with theoretical predictions (22). Earlier (27) Drowart, Coppens, Smoes, JCP .2.Q, 1046 (1969).
estimates (8)(18) are considerably lower. (28) Gilles, Hampson, Wahlbeck, JCP .2.Q, 1048 (1969).
wFrom the observation of two satellite bands of ~·(o-0) (29) Linton, Nicholls, JP B ~' 490 (1969).
(38); see q. (JO) Lockwood, ApJ 121., 275 (1969).
x (31) Phillips, ApJ 121., 449 (1969).
wey e = -0. 0107.
(J2) Kovacs, Korwar, APH _g..2_, 399 (1970).
Yre= -0.0000111 fa = +o.03x lo-7.
z e (JJ) Linton, Nicholls, JQSRT 10, Jll (1970).
Not observed; for the predicted structure of the fun- (34) Pathak, Palmer, JMS JJ., 137 (1970).
damental band see (53). (35) Hampson, Gilles, JCP _i2, 3712 (1971).
( J6) Mcintyre, Thompson, Weltner, JPC 12, J243 (1971).
(1) Christy, ApJ 1Q, 1 (1929).
(37) Phillips, Davis, ApJ 1§.1, 209 (1971).
(2) Christy, PR JJ., 701 (1929).
(JS) Phillips, ApJ 1£2, 185 (1971).
(3) Lowater, PPS 41, 557 (1929).
(39) Price, Sulzmann, Penner, JQSRT 11, 427 (1971); 14,
(4) Bud6, ZP 2§., 437 (1936).
1273 ( 1974).
(5) Coheur, BSRSL 12, 98 (1943).
(40) Balducci, De Maria, Guido, Piacente, JCP .2Q, 3422
(6) Phillips, ApJ 111, 314 (1950).
(7) Phillips, ApJ 114, 152 (1951).
(41) Dube, IJPAP 10, 70 (1972). I (1972).
(42) Lindgren, JMS ~' 474 (1972).
(8) Phillips, ApJ 11.2, 567 (1952).
( 4J) Linton, CJP .2.Q, 312 (1972).
(9) Phillips, ApJ 112., 274 (1954).
(44) Palmer, Hsu, JlV!S ~' 320 (1972).
(10) Fraser, Jarmain, Nicholls, ApJ 112., 286 (1954).
(45) Phillips, Davis, ApJ l.Z..2, 583 (1972).
(11) Uhler, Dissertation (Stockholm, 1954).
(46) Wentink, Spindler, JQSRT 12, 1569 (1972).
(12) Groves, Hoch, Johnston, JPC 22_, 127 (1955).
(47) Wu, Wahlbeck, JCP ..2Q, 4534 (1972).
(13) Berkowitz, Chupka, Inghram, JPC 61, 1569 (1957).
(48) Phillips, ApJ{Suppl.) 26 (2J2), 313 (197J).
(14) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
(49) Collins, Fay, JQSRT 14, 1259 (1974).
(15) Pettersson, AF 16, 185 (1959).
(50) Fairbairn, Wolnik, Berthel, ApJ 1.2.J, 273 (1974).
(16) Ortenberg, OS(Engl. Transl.) ..2_, 80 (1960).
(51) Linton, JMS .2.Q, 235 (1974).
(17) Pedoussaut, CR~' 2819 (1961).
(52) Linton, Singhal, JMS j1, 194 (1974).
(18) Merrill, Deutsch, Keenan, ApJ 1.J.2., 21 (1962).
(53) Phillips, ApJ(Suppl.) l:1_ (247), Jl9 (1974).
(19) Pettersson, Lindgren, AF 22, 491 (1962).
(20) Prasad, PPS 12., 1078 (1962); 82, 419 (1963). (continued p. 643 )

647
 648
State w Observed Transitions References
e
{.i) Design. l v 00

(µ = 102.487219) NOV 1977

Several diffuse emission bands and continua, 15000 - 36500 cm- 1 • (1)
Strong R and V shaded absorption bands, 22900 - 23500 cm-1 • (J)
Weak R shaded bands in thermal emission, 15000-16000 cm-1 • w' ~ 88, w" ~ 136 cm -1 . (3)

(µ = 33.4423676) I NOV 1977

The far-wing emission intensities of the Tl resonance lines (26478 and 18685 cm-1 ) broadened
by rare gases,have been studied by (l)a Franck-Condon analyses of the observed continua
yield potential curves in the 3-4 ~region for the x1 t, x2 ft
A!, B 2 I: states arising
2 2 2 1
from the atomic limits Pi' P1 , si+ s. Near-wing intensities have been investigated by
(2) yielding additional informition on the potentials at larger internuclear distances.

c1os>r17sAs (µ = 54.866846.3) 0
Do = 2.0 2 eVa NOV 1977

c2os>r12.09Bi (µ = 103.479018)
0
Do= 1.21 eva NOV 1977

10s Tl 8•.Br µ = 58.014.37.3 0

DO= J.42 eVa I.P. = 9.14 evb NOV 1977
D Fragments of an emission system at "'25.340 cm-1 • (D~A), R (2)* (4)*
Continuous absorption for v > 40000 cm- 1 • (2)(11)
c cln) Continuous absorption with maximum at 37160 cm- 1 .d C+- X, c (1) (2) (11)*
Weak absorption continua at 31000 and J2040 cm- 1 • c (11)*
Absorption continua with maxima at 29540 and JOOOO cm-l.d c (l)* (2)(11) *
A c3no+)e 29191.5 l08.J2 H 5.15f Bands having v·~ J are diffuse. A+-+X,c R 29148.4 H (l)* (2)*
(J)(4)
x lr:+ 0 192.10 H 0.39 o.o423a95g 0.0001215 (8.J) IR spectrumh (13)
5
Microwave sp.i (5)(6)(16)
Mol. beam el. reson. j (12)
 State Te we wexe Be tXe De re Observed Transitions References
(lo- cm-1 ) (.R) Design.
l voo
(2.os>Tl (79> Br-+ D00 = 0.39 eVk NOV 1977
B 2r; (36500) From the photoelectron spectrum (15), using vertical potentials for A and Band the
A 2I:
x 2II
(2700)
0
} adiabatic potential for X 2 n. The peak corresponding to the shallow 2n state is very
broad and has a vertical potential which lies at "'0. 35 eV above that of A 2r:.

T.t 2 1 8Mass-spectrometric result of (2) who suggest the "pre- TLBr, TlBr+ (continued)1
ferred" value o.6 ev.
d(2) report emission continua with maxima at 30020 and 33770
(1) Hamada, PM 12, 50 (1931). eAssigned by analogy with Ti.C.lJ (2) assume J rr 1 • cm -1
(2) Drowart, Honig, JPC 61, 980 (1957). f\l) y =-0.22.
e e
(3) Ginter, Ginter, Innes, JPC §2, 2480 (1965). g(l6) give rotational constants for four isotopes.
T.tAr1 (1) Cheron, Scheps, Gallagher, JCP .§2, 326 (1976). h!n argon at 10 K.
(2) Cheron, Scheps, Gallagher, PR A !.2, 651 (1977). iDipole moment of 20 5Tl79Bra ~e.t(V=0)=4.49 D, from Stark
effect of rotation sp. (14).
T.tAs1 ~hermochemical value (mass-spectrom.)(l).
jHfs constants for four isotopes in the first five vibra-
; (1) Piacente, Malaspina, JCP .2§., 1780 (1972). kn00(TLBr) + I.P. (T.t) - I.P. (T.tBr). I tional states.
T.tBi1 aThermochemical value (mass-spectrom.)(l). (1) Butkow, ZP ..2!, 2J2 (1929).
(1) De Maria, Malaspina, Piacente, JCP .2§., 1978 (1972). (2) Howell, Coulson, PPS jJ, 706 (1941).
T.lBr, Ti.Br+, (J) Rao, !JP~' 265 (1949).
(4) Rao, !JP~' 425 (1949).
aPhotoionization mass-spectrometry (10). In good agree-
(5) Barrett, Mandel, PR !.Q2, 1572 (1958).
ment with spectroscopic and thermochemical results (7),
(6) Fitzky, ZP 1..21:, J51 (1958).
flame photometry (8), and electron impact mass-spec-
(7) Barrow, TFS .2§., 952 (1960).
trometry (9).
(8) Bulewicz, Phillips, Sugden, TFS j]_, 921 (1961).
bPhotoionization value (10). Notice that this is the
(9) Khvostenko, Sultanov, RJPC J.2., 252 (1965).
adiabatic value corresponding to the second vertical
(10) Berkowitz, Walter, JCP .12_, 1184 (1968).
potential (9.83 eV) observed in the photoelectron spec-
(11) Davidovits, Bellisio, JCP 2Q, 3560 (1969).
trum (15); first vertical I.P. at 9.48 eV.
cAbsorption cross sections have been measured by (11). (continued p. 651)

649
 650
State w w x Observed Transitions References
e e e
Design. 1 v 00

2osri 3sci µ = 29.8725631 NOV 1977

D Complex system of emission bands; tentative vibrational analysis (3). (24628) (2)* (3)*
( D-+ A) ' Ry ( 24040)
Continuous absorption for v > 40000 cm- 1 • (1)(16)
Continuous absorption with maximum at 39820 cm- 1 , preceded by dif- c~ X, c (l)* (16)*
fuse bands of longer wavelengths.
Very weak absorption continua with maxima at 32910 and 34830 cm- 1 • c (l)* (16)*
Absorption continua with maxima at 31690 and 32190 cm- 1 • c
(l)* (16)*
31049.4 223.ld (Z) 11.4e 0.09227/ 0.00131 I 0.7
5
2.4730 A~X, c R 31016.6 (Z) (l)* (2)* (6)
0 283.7 d (Z) 0.818 0.09139702 2 0.00039793 2g 0.375 2.484826 Vibration sp.h (17)(21)
5 3
(7) (8) (12)
Rotation sp. (20)
Mal.beam electric and. (4) (15) (19)
magnetic resonance 1 (5)
c2os>Tl (3s>ct + °
D = 0.23 evj
0 NOV 1977
B 2I: (33800) From the photoelectron spectrum (18), using vertical potentials for A and Band the
A 2I: (1600) adiabatic potential for X. The 2n peak is very broad and has a vertical potential which
x 2n 0 } is o.49 eV higher than that of A 2L:.

2osr1 •9F µ = 17.3868727 Doo = 4 .57 eV a I.P. = 10.52 eV b I NOV 1977

(2) report emission bands in the region 28500-29500 cm-1 ; uncertain.
Absorption continua at "->45400 and above 50000 cm-1. (l)*
c (ln) (45546) [346 J H I Only V=O and 1. c I C<- X, R 45481 H (l)*
Absorption continuum at .rv38400 cm-1. (l)*
B 3rr
1 36863.08 366.64 10.22 de 0.22 4 92 0.00307 fI [3.92~g 2.0762 B~X, R 36805.6 Z
3
(l)* (J)
A 3no+ 35186.02 436.3 7.1 he 0.23091 0.00274 1· 2.a 1 J 2.0491 A~ X, VR 35164. 31 Z (l)* (3)
x ll:+ 0 477.3 2.3 0.223150163 o.001503a5ok 1.948 2.084438 Vibration sp • .e (16)(21)
Rotation sp. (12)(15)(17)
(19)(20)
Mal. beam el. reson.m (6)(7)(10)
(11)
 State Te we we x e Be «e De re Observed Transitions References
(10- cm- 1 ) (R) Design.
l voo
(20S>Tl I') F + °
D0 = 0.16 evn NOV 1977
2L:
B
A
x
2rr
2L:
(28500)
(5100)
0
} From the photoelectron spectrum (18) (adiabatic potentials). The peak corresponding to
A is very broad.

TtBr, TtBr+ (continued): T1Cl, TtCi+ (continued) a

(12) Dickinson, Stephenson, Zorn, JCP ..2J., 1525 (1970). hIR and Raman spectra in argon and krypton matrices.
1. 2
Brom, Franzen, JCP ..2!±, 2874 (1971). µet = 4.515 + 0.0552 (v+~) + 0.00007 8 (v+~) D; from (19)
(13)
(14) Tiemann, ZN 26 a, 1809 (1971).
3 7
who give also hfs constants and magnetic parameters for
(15) Berkowitz, JCP 2£, 2766 (1972). . o(Ttc.t) + r.P.(Tt) - I.P.(TtCt).
Jn 0
I v= 0 ••• 3.
(16) Lovas, Tiemann, JPCRD J(3), 609 (1974).
(1) Howell, Coulson, PRS A 166, 238 (1938).
TtCt, TtCt+i (2) Miescher, HPA 14, 148 (1941).
(3) Rao, IJP _g], 393 (1949).
aPhotoionization mass-spectrometry (14); good agreement
(4) Carlson, Lee, Fabricand, PR §2, 784 (1952).
with thermochemical and spectroscopic values (9)(10),
(5) Zeiger, Bolef, PR §2, 788 (1952).
electron impact mass-spectrometry (13), and flame
(6) Barrow, PPS A 1Q, 622 (1957).
photometry ( 11).
(7) Barrett, Mandel, PR lQ.2., 1572 (1958).
bPhotoionization value (14). As for TtBr, this adia-
(8) Fitzky, ZP 1..21:, 351 (1958).
batic potential corresponds to the second rather than
(9) Barrow, PPS 1.2, 933 (1960).
first vertical potential observed by photoelectron
(10) Barrow, TFS 2£, 952 (1960).
spectroscopy (18).
(11) Bulewicz, Phillips, Sugden, TFS .51_, 921 (1961).
cAbsorption cross sections (16).
(12) De Wijn, Physica Jl, 1193, 1557 (1965).
dVibrational constants of (2) whose measurements at
(13) Khovstenko, Sultanov, RJPC J.2., 252 (1965).
higher dispersion are more extensive than those of (1).
(14) Berkowitz, Walter, JCP ~' 1184 (1968).
Rotational analyses (6) give l\G'(~)=201.60, l\G"(t)=
(15) Hammerle, Dickinson, VanAusdal, Stephenson, Zorn,
;ll.leYe=+l.J3, weze=-0.115. I
281.88.
JCP .2..Q, 2086 (1969).
Predissociation for v'~4; see (2).
(continued p. 653 )
goe= +4.17 0 x 10-7; from (12) who gives rotational con-
stants for all four TtCt isotopes. See also (20). TtF' TtF+ I See p. 653 •

651
 652
State Te we we xe Be IX'e De re Observed Transitions References
(lo-4 cm- 1 ) <R> Design. J voo

(2..0S)Tl I H (µ = 1.00289416) D00 = 1.97 eVa NOV 1977

Absorption continua at 22720, 23590, 23920, 24550, 24930 cm-1 • (J)
D Jn (2) [24J44.J] [1.5J]b [J5] [J.Jl] C~ X, R 23654.6 z (4)
1 2 c e
c l1 (1) (24181) [98.05] z [2.027]d [27l [2.880] D<E- X, R 23556.25 z (4)*
B 3n
1 (1) Unstable.
gh hij
A 3n 0+(o+)(l772J) [759.l] z [4.617] [5.63]k [1.9081] A~X, R 17519.9 z (l)* (J)
x lE+ 0 1390.7 z 22.7 4.8061, o.154m [2.54] 1.8702

c2os>r12H (µ = 1.99450400) D00 = 2.00 evn NOV 1977

'·
c ln (1) 6G(J/2) = 57.56 B2= 0.820 D2 = 16 D~ X, o R v(l-0) = (6)
B1=0.97J D1=11 r 1 = 2.947 23823.69 z
A 3n 0+( o+) ( 17717) z ph hqj
[604.50] [2.380] [1.14]k [1.8845] A~X R 17590.21 z (J)*
x lE+ 0 987.7 z 12.04r 2.419 o.057S 0.60 1.8692

T.t 1H, Tt 2H1 Tt 1H, T.t 2H (continued)1

8From the highest observed level inc 1 n (4); this state kFor higher D values see (l)(J).
v
dissociates to 2P + 2s. Flame photometry (2) gives
J,
312 RKR potential curve (5).
1.91 eV. mne = +o. 0044.
bThis level interacts with v=l of C 1 n (4). nFrom the value for T.t. 1H.
0
cAG(J/2) = 56.2. v'=0 not observed, possibly because of predissociation by
d B+ -B - = +o.oo.6 the repulsive 3n 1 state; see (6).
0 0
eBl = 1.84, B2= 0.7. p6G(J/2 ••• ll/2) = 4J9.1J, 314.61, 279.65, 281.2J, 288.14.
fDl = 60 x lo-4. qB 1 ••• B6 = 2.144, 1.842, 1.614, 1.515, 1.47, l.4J.
gAG(J/2 ••• 11/2) = 474.9, J9J.O, 402.2, 416.0, 426.1. :wey e i:::: +O.l.
hAnomalous potential curve, see (5)(6). ' re= +o. 002.
~B 1 ••• B6 = J.916, J.201, 2.981, 2.856, 2.780, 2.692.
JLines become increasingly diffuse with increasing rotation.
T.t 1H, Tt2tt (continued)1
(1) Grundstr8m, Valberg, ZP 108, 326 (19)8). (4) Larsson, Neuhaus, AF £,2, 461 (1963).
(2) Bulewicz, Sugden, TFS~' 830 (1958). (5) Ginter, Battino, JCP 42, 3222 (1965).
(3) Neuhaus, Muld, ZP 151, 412 (1959). (6) Larsson, Neuhaus, AF .l!, 299 (1966).

TLC!, TlC.t+ (continued)1 T.tF, T.tF+ (continued)1

(16) Davidovits, Bellisio, JCP j.Q, 3560 (1969). mµe.t = 4.1936 + o.069 1 (v+j-) D; gJ= -0.05356 µN (11).
(17)
(18)
Brom, Franzen, JCP ..2!!:,, 2874 (1971).
Berkowitz, JCP 2§., 2766 (1972).
no gc T.tF) + I. p. ( T.t) - I. p. ( T.tF ) •
(19) Ley, Schauer, ZN _g,Z a, 77 (1972). (l} Howell, PRS A 160, 242 (1937).
(2) Rao, Rao, IJP .£2, 20 (1955).
(20) Lovas, Tiemann, JPCRD J(J), 609 (1974).
(J) Barrow, Cheall, Thomas, Zeeman, PPS .z!, 128 (1958).
(21) Lesiecki, Nibler, JCP .QJ, 3452 (1975).
(4) Barrett, Mandel, PR 1.Q2, 1572 (1958).
T.tF, T.tF+(Table p. 650/l)s (5) Fitzky, ZP 1.2!,, 351 (1958).
(6) Graff, Paul, Schlier, ZP 151, J8 (1958).
aPhotoionization mass-spectrometry (14); good agreement (7) Graff, ZP 1..!?j, 433 (1959).
with thermochemical results [(8) and ref. given in (14)]: (8) Barrow, TFS 2§., 952 (1960).
similar results by equilibrium mass-spectrometry (13) and (9) Bulewicz, Phillips, Sugden, TFS .21.,. 921 (1961).
flame photometry (9). (10) Drechsler, Graff, ZP .!2J, 165 (1961).
bAdiabatic potential from the photoelectron spectrum (18). (11) Boeckh, Graff, Ley, ZP lZ.2, 285 (1964).
cAccording to (8) [see Table J, Note c of this reference] (12) Ritchie, Lew, CJP ~' 1701 (1965).
the vibrational analysis is uncertain and the o-o band (lJ) Murad, Hildenbrand, Main, JCP !±j, 263 (1966).
may lie at 45010 cm- 1 • (14) Berkowitz, Walter, JCP 1,2, 1184 (1968).
d (15) Hoeft, Lovas, Tiemann, Tarring, ZN £2 a, 1029 (1970).
wey e = -1.155·
eBoth A and B have small potential humps of l'V0.18 eV. (16) Brom, Franzen, JCP ..2!!:,, 2874 (1971).
f
re= -0.000905. (17) Dijkerman, Flegel, Graff, Monter, ZN £Z a, 100 (1972).
gD =5.22x10-, 7 D = 6 .7 x10 -7 • (18) Dehmer, Berkowitz, Cusachs, JCP 2§., 5681 (197J).
1 2 3 (19) Honerjager, Tischer, ZN 28 a, 458 (197)).
hw
. e ey = -0.1.
(20) Lovas, Tiemann, JPCRD J(J), 609 (1974).
~re= -0.00013 5 • (21) Lesiecki, Nibler, JCP .QJ, J452 (1975).
Jfoe = +0.2 2 x lo-7.
kre= +3.142x 10-6 (17).
1 IR and Raman spectra in argon and krypton matrices.

653
 654
State w Observed Transitions References
e
Design. l v 00

See T.tAr. NOV 1977

I.P. = 8.47 evb NOV 1977

Continuous absorption at higher energies. c (12)*
Absorption continuum with maximum at 33050 cm- 1 • c (2)(12)*
Very weak continuous absorption with maxima at 28240, 28400 cm- 1 • c (12)*
Further emission bands have been reported by (J)(5) in the regions
15800 - 18000 and 27100 - 27900 cm-1.
(JO) Broad fluctuations in absorption. A~X,c (26250) (1)(2)(3)*
(4)* (12)*
0 0.02716761 0.00006635 (J.6) IR spectrumd (14)
Microwave sp. 9 (6)(7)(8)(17)
Mol. beam rf el. reson. f (lJ)

(2os>Tl 1111 + ng = o.4o evg NOV 1977

B
(37200)
(J4100)
A (6500) } From the photoelectron spectrum (16) (vertical potentials),
x 0

<105 >Tl cs,,., Kr

I
(µ = 59.5380774)
(2.os>r1 c1o>Ne (µ = 18.2157448) See T.tAr.
c2os>Tl (132.>Xe {µ = 80.2573415)
T.tI, T.lI+ s

aPhotoionization mass-spectrometry (11); similar values (6) Happ, ZP liZ., 567 (1957).
are obtained from thermochemical data (9), by flame (7) Barrett, Mandel, PR lQ.2, 1572 (1958).
photometry (10), and by photofragment spectroscopy (18). (8) Fitzky, ZP ..!j!, 351 (1958).
bPhotoionization mass-spectrometry (11) and photo- (9) Barrow, TFS 2§., 952 (1960).
electron spectroscopy (16). (10) Bulewicz, Phillips, Sugden, TFS jl, 921 (1961).
cAbsorption cross sections (12). (11) Berkowitz, Chupka, JCP !±2, 1287 (1966).
d6G(i)= 14J.O cm- 1 in argon at 10 K (14). (12) Davidovits, Bellisio, JCP .iQ, 3560 (1969).
eµe.l(v=0)=4.61 D, from Stark effect of rotation sp.(15). (lJ) Stephenson, Dickinson, Zorn, JCP .2], 1529 (1970).
fHfs constants. (14) Brom, Franzen, JCP 2±, 2874 {1971).
gc
gD T.tr ) + I. P. ( T.l ) - I. P. ( T.tr ) • (15) Tiemann, ZN 26 a, 1809 (1971).
(1) Butkow, Terenin, ZP 1_2, 865 (1928). (16) Berkowitz, JCP ..2.Q., 2766 (1972).
(2) Butkow, ZP 2§., 2J2 (1929). (17) Lovas, Tiemann, JPCRD J(J), 609 (1974).
(18) Kawasaki, Litvak, Bersohn, JCP 66, 1434 {1977).
(J) Rao, Rao, IJP ~' 185 (1949).
(4) Rao, IJP 24, 4J4 (1950).
(5) Rao, Rao, IJP £2, 20 (1955).

655
 656
State T w wexe Be «e De re Observed Transitions References
e e
Ci) Design.
l voo
t69Tm160 µ = 14.61148092 0
D0 = 5.76 eVa JUN 1975 A
Unclassified, mostly R shaded emission bands in the regions 20000 - 21300 cm -1 , (1)(2)
16700 - 19200 cm -1 , (l)* (2)
11600 - 15600 cm -1 . (J)

2.3su(loB (µ = 10.5226.566) D00 = 3.3 0 eva JUN 1975

2.3su12c µ = 11.42411706 D00 = 4.7 7 eVa JUN 1975

238 urlf.N µ = lJ.22512135 0

Do = 5-.51 eva JUN 1975 A

13su16Q µ = 14.98786284 n 00.-= 7.8 7 eVa I.P. = 5.66 eV

b JUN 1975
Very weak band structure in emission from an arcs no measurements. (1)
x [820.0]C

23suc31)5 (µ = 28.1864180) 0
D0 = 5.38 eva JUN 1975

s1v2 µ = 25.4719822 0
Do = 2.48 eva JUN 1975 A

s1v1H µ = 0.98827418 OCT 1975

SJV2.H µ = 1. 937.50185
Absorption bands of complex structure in the region 20800 - 22700 cm- 1 with strong (i)*
features near 21230 and 21330 cm- 1 • Theoretical calculations (2)(3) predict a 5~ ground state.
J.
TmOa a,rhermochemical value (mass-spectrom.) (4), recalc. (5). U01
(1) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
(2) Herrmann, Alkemade, "Chemical Analysis by Flame
Photometry", Wiley-Interscience (1963).
(J) Mavrodineanu, Boiteux, "Flame Spectroscopy", Wiley
(1965).
(4) Ames, Walsh, White, JPC 1J:., 2707 (19~7).
(5) Smoes, Coppens, Bergman, Drowart, TFS Q.2, 682 (1969).
UB1 aThermochemical value (mass-spectrom.)(l).
(1) Gingerich, JCP ..2.J., 746 (1970).
UC1 aThermochemical value (mass-spectrom.)(l).
(1) Gingerich, JCP ..2Q, 2255 (1969).
UN1 aThermochemical value (mass-spectrom.)(l).
(1) Gingerich, JCP !±:z., 2192 (1967).
US1
v2 1
v1 H, v2H1
aThermochemical value (mass-spectrom.)(3)(4)(5).
bElectron impact appearance potential, average of two
values ( 2) ( 8) •
cIR spectrum of u16 o in Ar matrix at 15 K (6)(7). For
u18 o at 776.3 cm- 1 • Derived constants for u16 o are
we = 825. 0 , ~exe = 2.5.
(1) See ref. (1) of TmO.
(2) Mann, JCP 40, 1632 (1964).
(3) Drowart, Pattoret, Smoes, PBCS No. 8, 67 (1967).
(4) Coppens, Smoes, Drowart, TFS 64, 630 (1968).
(5) Pattoret, Drowart, Smoes, in "Thermodynamics of
Nuclear Materials" (Proc. Syrop. Thermodynamics,
Vienna, 1967), p. 613. Publ. IAEA, Vienna (1968).
(6) Carstens, Gruen, Kozlowski, HTS 1, 436 (1972).
(7) Gabelnick, Reedy, Chasanov, CPL 12,, 90 (1973);
JCP ..2.§., 4468 (1973)1 60, 1167 (1974).
(8) Rauh, Ackermann, JCP 60, 1396 (1974).
aThermochemical value (mass-spectrom.)(l).
(1) Cater, Rauh, Thorn, JCP 44, '3106 (1966) 1 48,
538 (1968)(Erratum).
aThermochemical value (mass-spectrom.)(l).
(1) Kant, Lin, JCP .21., 1644 (1969).
(1) Smith, PRS A JJ..g, 113 (1973).
(2) Scott, Richards, JP B 1, L347 (1974).
(3) Henderson, Das, Wahl, JCP £}, 2805 (1975).
657
 658
State w Observed Transitions References
e
Design. l v 00

µ = io.9839053 0 JUN 1975

s1v1'0 µ = 12.17296119 JUN 1975

D 23980 [833] 23890 (18)
(l)(J)* (6)*
17494.3 863.4c (Z) 5.35 0.495Jde 0.0035 6 1.672 1 17420.2 z (11) (12) (15)
(17)*
12760.8 910.9 5.0 0.5246 0.004 1.625 12710.6i
12689 [For a more rigorous treatment of the fine structure see (20).] 12638.6 HQ (2)(6)* (12)
12625 12574.7 (15)(17)*
12567 12516.7
R shaded bands in the region 9470 - 9 560 cm- 1 • j (4)
0 1011.Jc (Z) 4.86 J 0.548251. 0.00352 J 6 (10)

(µ = 19.6437769) JUN 1975

(µ = Jl.1114885) JUN 1975

JUL 1975
R shaded bands in gas phase emission from 12900 to 24400 cm- 1 • (1) (2) (.3) (5)
("
G [9JJ] G~ X, 23794 (6)
[982]b c
F F+- X, 23366 ( 6)
[944]b c Observed in absorption in rare gas matrices (6)
E E+-X, 21509
D 20834.2 99J·o H 6.5 ( 6). Frequencies are for solid neon, except Dt-+ X, R 20799.9 H ( 1) ( 6)
c [931] c > for D-+-X which was also identified (1) in (6)
-< C+- X, 19190
c
B [955]d the gas phase spectrum. B+- X, 17283 (6)
c
A [95l]e A~ X, 17132 9 (6)
x 0 1059·9 H 3.1
VN1 aThermochemical value (mass-spectrom.)(l). VO (continued) 1

(1) Farber, Srivastava, JCS FT I £2, 390 (1973).
VOc aThermochemical value (mass-spectrom.)(5)(9)(14)(19).
bLow temp.matrix abs.; not observed in the gas phase.
cFrom (17). Slightly different constants in (15).
dSpin splitting constants (7) (15) for V=01 A= +0.53,
ePerturbations. I y-1 = -0.009, 42 = -0.007.
fRadiative lifetime T(v=O,l)= o.41 µs (16).
gAbsolute transition moments, band oscillator strengths
(17). This ref. contains a useful review and biblio-
graphy of earlier work.
hThe existence of a new system between 13900 and 14500
cm- 1 , tentatively identified by Grosjean and Rosen [see
(6)], is doubtful since the 2-0 and 0-3 sequences of
B- X and C- X, respectively, are expected to overlap in
~Subband origin at 12706.8 cm- 1 I this region.
Jrt is not certain whether these bands form a new system VS1
or are part of B- X.
kThe ESR spectrum of matrix isolated VO (10) is compatible
only with a 4 ~- ground state, confirming theoretical
predictions by (8).
VSes aThermochemical value (mass-spectrom.)(l); no details •
.R,Spin splitting constants (7) (15) for V=O: A= +l.371, r1 =
t
+0.0112, 2 =+0.0111. Large nuclear magnetic hfs, b=
0.080 cm-1 (10)(13). An unusual perturbation occurs in W01
v=O, 1 between F 2 and F levels with ~N = ~F = 0 ( 13).
3
min argon matrix.
(1) Mahanti, PPS !±1, 433 (1935).
(2) Keenan, Schroeder, ApJ 11.2, 82 (1952).
(3) Lagerqvist, Selin, Naturw. 42, 65 (1955); AF 12, 553
(4) Lagerqvist, Selin, AF 11, 429 (1956). I(1957).
(5) Berkowitz, Chupka, Inghram, JCP ~' 87 (1957).
(6) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
(7) Hougen, CJP 40, 598 (1962).
(8) Carlson, Moser, JCP 44, 3259 (1966).
(9) Coppens, Smoes, Drowart, TFS £J, 2140 (1967).
(10) Kasai, JCP 12_, 4979 (1968).
(11) Laud, Kalsulkar, IJP 42, 61 (1968).
(12) Richards, Barrow, Nature £!.Z, 842 (1968).
(13) Richards, Barrow, Nature~' 1244 (1968).
(14) Frantseva, Semenov, HT(USSR) 1, 52 (1969).
(15) Richards, D. Phil. Thesis (Oxford, 1969); see DONNSPEC.
(16) Diebold, Wentink, unpubl.(1970); quoted in.(17).
(17) Harrington, Seel, Hebert, Nicholls, IAMS 1 (1970).
(18) Weltner, unpubl.; quoted by Barrow in DONNSPEC.
(19) Farber, Uy, Srivastava, JCP 22_, 5312 (1972).
(20) Veseth, PS 12, 125 (1975).
aThermochemical value (mass-spectrom.)(l). Slightly higher
value in (2).
(1) Drowart, Pattoret, Smoes, PBCS No.·~, 67 (1967).
(2) owzarski, Franzen, JCP 60, lllJ (1974).
(1) Bergman, Coppens, Drowart, Smoes, TFS 66, 800 (1970).
aThermochemical value (mass-spectrom.)(4).
bstrong interaction between levels of E and F.
cHigher ~G and deperturbed values may be found in (6).
dStrong interaction between levels of A and B.
eLowest observed level (v=3?) and ~G. Weak system; the in-
tensities of the bands derive mostly from the strong ArvB
interaction.
:teferences on p. 661 •

659
 660
State wexe Be "'e De re Observed Transitions References
c10- cm-1 ) (i) Design. l v 00

c12,, raa.> Xe 2 (u = 65.193611 8 ) D0

0 = 0.0230 eva I.P. = 11.127 evb NOV 1977
Several diffuse emission bands and continua in the visible and near UV regions; inter-
pretation and assignment to Xe 2 uncertain. (3)(5)
K 26 1 I
Associated with 7s[l!]~ ( 85189. Jl cm- 1 ) c K+- X, d
1
85141.9 (19)

Unclassified abs. bands, associated with { 5 d[li]J~

(83890.47 cm- ) c e
1 } (19)(20)*
5d[2i 3 (82430.72 cm- ) c
H 82001 [30. 0] Associated with 5d[2i]~ (81926.04cm- 1 ) c H+-X/ 82005.7 (19)
1
5d[l·fl~ (80323.28 cm- ) c
~

6p[O-f] (80119.47cm- 1 ) c
0
1
5d[Oi]~ (79987.16 cm- ) c e
Unclassified abs. bands, associated with• 6p(li] 2 (79212.97 cm- 1 ) c >- (9) (19)
(20)*
6p[l-! J1 (78956.54 cm- 1 ) 0
1
6p[2i]3 (78403.56 cm- ) c g
1
6p[2-tJ2 {78120.30 cm- ) c .
Unclassified abs. bands, associated with 6s•[otJ1 (77185.56 cm-1 ) c h (14)
Unclassified absorption bands longward and shortward of the re- }
sonance line at 68045.66 cm- 1 (1469.6 i); pressure broadening of Bif-7X,j (1)(2)())*
this line due to molecule formation. Continuous emission 68000- (4){6)(8)
{ 50000 cm-1 (1470-2000 i) with maxima near 68030, 67070 cm-1 (1470, Aik~x,j (13)(14)
1491 .R, "first continuum") and ""58800 cm-1 (1700 .R, "second cont.")
0 l 21.12 H 0.65.t l l J 4.36 1m l
Xe 2 a aSpectroscopic value, by extrapolation from the observed and differential scattering cross sections as well as spec-
lowest ten vibrational levels of the ground state (20). troscopic data. Integral absorption measurements of the
The corresponding well depth is in very good agreement 1274.8 .R band (?8444 cm- 1 ) as a function of temperature
with D~= 0.024J eV derived by (18) from bulk properties °
give n0 = 0.029 eV (25).
Xe 2 (continued):
bPhotoionization of xe 2 (28). An earlier determination of these states to the steep repulsive part of the X 1 ~~
based on the formation of Xe 2+ from Rydberg excited Xe potential curve (11)(22). A broad emission peak at 1725 ~'
(associative ionization) yielded 11.14 eV (7). probably representing the same transition, has been ob-
cAtomic energy levels relative to 5p 6 1s. served by bombardment of Xe in a Ne matrix with~ particles
dseveral v" progressions (presumably v'=0 ••• 4) near 1174R. k(22) estimates re~ 3.25 R. I
(16).
eBands longward of 1192 and 1250 R have been partially 1 weye=+0.003. Zero point energy 10.40 cm-1 ; last stable
analyzed by (19)(20); the ground state vibrational levels vibrational level (extrapol.) v=25 (20).
of (20) are from this analysis. Illprom bulk properties and differential scattering cross
fTwo v" progressions shortward, and two broad bands long- sections (18) [see (20), "note added in proof"]; see also
ward, of 1221 R. (15). Electron diffraction (10) gives 4.41 R.
g(25) have determined the oscillator strength (f= 0.03 9 ) (1) McLennan, Turnbull, PRS A 11.2, 683 (193J).
for a band at 1274.8 R. (2) Tanaka, Zelikoff, JOSA 44, 254 (1954).
hcontinuous absorption and ill defined vibrational struc- (J) Wilkinson, Tanaka, JOSA 1,i, J44 (1955).
ture longward of 1296 R; small number of sharp bands at (4) Tanaka, JOSA !!..2, 710 (1955).
shorter wavelengths. (5) Roth, Gloersen, JCP ~' 820 (1958).
iRadiative lifetimess A 100 ns [theoretical value of 23 ns (6) Huffman, Larrabee, Tanaka, AO~' 1581 (1965).
predicted by (17)], B 6 ns (21)(26)(27). A and Bare as- (7) Samson, Cairns, JOSA ..2.§., 1140 (1966).
sociated with the lowest excited states of Xe I, i.e. (8) Wilkinson, JQSRT £, 82J (1966).
6s[lj]~ (67068.05 cm- 1 ) and 6s[li]~ (68045.66 cm- 1 ), (9) Herzberg, unpublished.
respectively. (10) Audit, JP(Paris) JQ, 192 (1969).
jThe continuum is observed in discharges at high pressure
(11) Mulliken, JCP ~' 5170 (1970).
as well as in fluorescence excited by the Xe I 1470 R (12) Freeman, McEwan, Claridge, Phillips, CPL 10, 5JO (1971).
resonance line (12), by CO fourth positive bands (23), (lJ) Kosinskaya, Polozova, OS(Engl.Transl.) JQ, 458 (1971).
and by synchrotron radiation (24). There is good evidence (14) Castex, Damany, CPL 1], 158 (1972); 24, 4J7 (1974).
that the "first continuum" is due to vibrationally un- (15) Docken, Schafer, JMS 46, 454 (197J)•
relaxed molecules in the A and B states, while the
"second continuum" corresponds to transitions from v·~o (continued p. 662)

WO (continued) s · (1) Gatterer, Krishnamurty, Nature 122., 543 (1952). (4) De Maria, Burns, Drowart, Inghram, JCP J.f., 1J7J (1960).
(2) Vittalachar, Krishnamurty, CS.£], 357 (1954). (5) Foster, Gaydon, quoted in IDSPEC (1963).
(J) Gatterer, Junkes, Salpeter, Rosen, METOX (1957). (6) Waltner, McLeod, JMS 11, 276 (1965).

661
 662
State Te w we x e Observed Transitions References
e
(i) Design. l v 00

c129,ru> Xe + NOV 1977 A

2
Diffuse emission bands 61690 - 63130 cm- 1 in a condensed discharge (l)*
through Xe, tentatively assigned to Xe 2+.
D ( 2r;+) D0 :::i 0.17 ev
2g (17500)
.1,_
g
l.
(16700) D0 :::i 0.26 eV Preliminary data from the photoelectron spectrum (6). For an evaluation of
c ( 2rr u ) 2u
3
iu (8600) Repulsive. difference potentials from g-u oscillations in the differential elastic
D :::i 0.16 ev
> scattering cross section see (4)(4b). Absolute photodissociation cross
l.
(7000)
B (2Il g ) 2g 0
1
2.g (5300) D ~ 0.37 ev
0 sections 14400 - 17700 cm- 1 ( 5). B~ X (5)
x 2r.;+
u 0
l l
(f:u>xe<79 >Br (µ = 49.3764024) NOV 1977
B (2r:+) 3601oa 120 (0.23> I I I <2.96) B~X,b (1)(2)(6)
Broad unclassified emission bands at 21500 and 28300 cm-1 .c (1)(2)
x ( 2r;+) 0 Repulsive state with van der Waals minimum of unknown depth.

c•:u>xe 3sct (µ = 27.641qo16) NOV 1977

D (i) D~X,b 42450 (8)
B (2r;+) 32405.0 195.2 H B~X, d V 32489.3 H (2) (3) (4) (5)
x ( 2r;+) 0 26.3 H ESR sp.f (7)

Xe 2 (continued)s
(16) Gedanken, Raz, Jortner, JCP 22, 1630 (1973).
(17) Weihofen, JCP 60, 445 (1974).
(18) Barker, Watts, Lee, Schafer, Lee, JCP 61, 3081 (1974).
(19) Castex, CP 2, 448 (1974).
(20) Freeman, Yoshino, Tanaka, JCP 61, 4880 (1974).
(21) Keto, Gleason, Walters, PRL J], 1365 (1974).
(22) Mulliken, RR 22, 357 (1974).
xe 2 (continued)1
(23) Fink, Comes, CPL JQ, 267 (1975).
(24) Brodmann, Zimmerer,. Hahn, CPL 41, 160 (1976)1 Brod-
mann, Zimmerer, JP B 10, 3395 (1977).
(25) Chashchina, Shreider, ZPS ~' 163 (1976). (1976).
(26) Keto, Gleason, Bonifield, Walters, Soley, CPL 42, 125
(27) Leichner, Palmer, Cook, Thieneman, PR A 1:], 1787
(28) Ng, Trevor, Mahan, Lee, JCP .2...2, 4327 (1976) I
(1976).
 ~o .
u 0 (xe 2 ) + I.P. (Xe) - I.P. (Xe 2 ). Values of 0.97 and 0.99 XeBr (continued)s
eV for DO e
have been derived by (J) and (4) from elastic (5) Ault, Andrews, JCP .22, 4192 (1976).
scattering of Xe+ by Xe using ground state re values (6) Tellinghuisen, Hays, Hoffman, Tisone, JCP Q.2, 4473
which differ slightly from the one given in the Table. (1976).
bEstimated value (4a).
XeC£.1 ~xtrapolation of the vibrational levels in X 2 ~ (5).
(1) Tanaka, JOSA !±.2,, 710 (1955).
bObserved in a low-pressure discharge through Xe~C£. 2 (8).
(2) Mulliken, JCP ..2,g_, 5170 (1970).
Absorption bands at similar wavelengths are observed in
(J) Lorents, Olson, Conklin, CPL 20, 589 (1973).
inert gas matrices (6).
(4) Mittmann, Weise, ZN~ a, 400 (1974).
cBased on potential functions chosen for best representa-
(4a)See ref. (22) of Xe 2 •
(4b)Jones, Conklin, Lorents, Olson, PR A 10, 102 (1974). tion of observed levels and intensities (5).
dObserved in emission in the reaction of metastable (JP 2 )
(5) Miller, Ling, Saxon, Moseley, PR A 1.J., 2171 (1976).
(6) Dehmer, Dehmer, JCP f21_, 1774 (1977). Xe atoms with C£. 2 , NOCl, soct 2 , Cc£. 4 .(2)(3) or on elec-
tron bombardment of mixtures of Ar+ Xe+ c.t 2 and Xe+ HCl
XeBrc aEnergy of the potential minimum relative to Xe( 1s)+ or C£. 2 at high pressure (of the order of 1 atm) (4)(5).
Br( 2P / 2 ). All constants derived (6) by trial-and- Under the latter conditions laser action has been de-
3
error matching of observed and theoretically simulated tected (1)(5). Observed in absorption and emission in
spectra. inert gas matrices (6).
bStructured continuum with principal peak at J5480 cm- 1 , 8
weye = -0.067"
observed in emission in the reaction of metastable (3P 2 ) fin argon at 4.2 K.
Xe atoms with Br 2 , CH 2Br 2 , and PBr at l"Vl torr (l)(J) (1) Ewing, Brau, APL n_, 350 (1975).
3
or on electron bombardment of Ar-Xe-Br 2 or Xe-HBr mix- (2) See ref. (3) of XeBr.
tures at pressures of the order of 1 atm (2)(6). Under (3) See ref. (1) of XeBr.
the latter conditions laser action has been found (4) (4) See ref. (2) of XeBr.
(6). Observed in absorption in an Ar matrix at J4000 (5) Tellinghuisen, Hoffman, Tisone, Hays, JCP 64, 2484
cm-l (5). (1976).
c(5) report emission peaks in argon matrices at 21200 (6) See ref. (5) of XeBr.
and 26700 cm- 1 • (7) Adrian, Bowers, JCP .22, 4Jl6 (1976).
(1) Velazco, Setser, JCP 62, 1990 (1975). (8) Shuker, APL~' 785 (1976).
(2) Brau, Ewing, JCP .QJ, 4640 (1975).
(J) Golde, JMS 2.§., 261 (1975).
(4) Searles, Hart, APL n_, 243 (1975); 28, 602 (1976).

663
 664
l
State Te we wexe Be ae De re Observed Transitions References
(10- cm- 1 ) (i) Design. l voo

<• 31>Xe ''F (µ = 16.6065342) 0

Do= 0.13 3 eV
a I.P. ~ l0.2J evb NOV 1977 A
20 ]8057 D~X,c v 38118 H (2){7)(13)
D ( 1;2> 351 H 2.1 (16)*
2
B ( Il1;2> 28826 J08.6 (Z) 1.52 Bd~x, e v 28866 (2)(.5)* (7)
( 9) ( 12) ( l J)
2
c </3;2> (2.5550) (J70)
} Tentative interpretation (10) of observations
in solid argon.
{. C-+A, (18600)
(10)
A ( n3;2> Unstable C+- X, (25620)
x (2E) 0 2J4.2f (Z) 12.0
J l l ESR sp.g (l)(J)

C1 >Xe '9F+
31
ng ~ 2.03 eVa NOV 1977

c132>Xe'H (µ = 1. 00018J2J) ne0 = o. 0068

3
eva NOV 1977
Evidence for the existence of quasibound levels in the
x 2E 0 van der Waals well [orbiting resonances in the in-
tegral scattering cross section (3)].
I J.94a

c•a2>xe•H+ DO= (4.J2) eVa

e NOV 1977
x lr; 0
l 1 J (l.59)a

XeF1 8From (12) after correction for change in the v num-
bering of the ground state. Extensive ab initio calcu-
lations (4) suggested an essentially repulsive pot. for
x 2E; much better agreement with the spectroscopic result
is obtained (11) if, in addition, the contribution to
binding from the dispersion interaction is taken into
bng(xeF) + I.P. (Xe) - ngcxeF+). I. account.
cObserved in emission in the reaction of metastable rare
gas atoms with fluorine containing molecules (1J)(l6)
and in electron-beam excited mixtures of Ar+ Xe+ F 2 at
XeF (continued) 1
high total pressure (7). Absorption in inert gas matrices
at similar wavelengths (10). Laser-excited emission spec-
tra in solid Ne and Ar (14); lifetimes of 12. and 11. ns,
5 5
respectively, have been measured.
dLifetime 7:= 18.8 ns (1.5); (14) measure 6 ns in solid Ar.
eObserved in emission at low pressure in the reaction of
metastable (JP 2 ) Xe atoms with F 2 , NOF, N2F4 , cF oF [flow-
3
ing afterglow (6)(9)] and at high pressure (of the order
XeF (continued): XeF+', aFrom photoionization data ( J). XeF+ is formed in the
of 1 a tm) on electron ..:Qombardment of mixtures of Ar, photoionization of XeF 2 (l)(J) and in the reaction
Xe, and F2 or NF (5)(7)(12):. two bands (0-J and 1-4 Xe+( 2P 3 J.)+F 2 = XeF++F (2).
3 lt2
according to the new v" numbering) at 35J2 and 3511 .R. (1.) Morrison, Nicholson, O'Donnell, JCP ±1:.2., 959 (1968).
show strong laser action (5)(8)(12). Also observed in (2) Berkowitz, Chupka, CPL 1, 447 (1970). .
fluorescence in the photolysis of X·eF 2 (17). In emis- (J) Berkowitz, Chupka, Guyon, Holloway, Spohr, JPC 12,
sion and absorption in inert gas matrices (10)(14). 1461 ( 1971).
fThe v" numbering in (12) has been changed in a "note
added in proof". See also (16). Emission spectra in a Xe 1Hs aScattering of H atoms by Xe (2). The repulsive potential
neon matrix (14) give w;=247, w;x;=l0.2. at higher energies has been determined by (1).
gin r-irradiated solid XeF 4 and XeF 2 (l)(J). (1) Picot, Fink, JCP 2§., 4241 {1972).
(1) Morton, Falconer, JCP J.2, 427 (1963). (2} Bickes, Lantzsch, Toennies, Walaschewski, FDCS No. 55,
(2) Kuznetsova, Kuzyakov, Shpanskii, Khutoretskii, 167 {1973).
VMUK 12., 19 (1964). (3) Toennies, Welz, Wolf, JCP 61, 2461 (1974).
(J) Eachus, Symons, JCS A (1971), p. J04.
Xe 1H+s ~rom the abinitio calculations of (2); ne0 refers to
(4) Liskow, Schaefer, Bagus, Liu, JACS .2.l, 4056 (197~).
Xe++ H and has been reduced by 1.47 eV from the value
(5) Ault, Bradford, Bhaumik, APL SJ_, 413 {1975).
given in (2) [Xe+ H+]. See also (3). The proton scat-
(6) Velazco, Setser, JCP 62, 1990 (1975).
tering results of (l) are energy dependent, probably
(7) Brau, Ewing, JCP §..J, 4640 (1975).
because of charge exchange in the curve crossing region.
(8) Brau, Ewing, APL .fl, 4J5 (1975).
(9) Golde, JMS ..2§., 261 (1975). {l) Weise, Mittmann, Ding, Henglein, ZN 26 a, 1122 (1971).
(10) Ault, Andrews, JCP 64, 3075 (1976); £2., 4192 (1976). (2) Kubach, Sidis, JP B §, L289 (1973).
(11) Krauss, Liu, CPL 44, 257 (1976). (3) Gallup, Macek, JP B 10, 1601 (1977).
(12) Tellinghuisen, Tisone, Hoffman, Hays, JCP 64, 4796
(1976).
(13) Velazco, Kolts, Setser, JCP .£2, J468 (1976).
(14) Goodman, Brus, JCP £2., 3808 (1976).
(15) Burnham, Harris, JCP 66, 2742 (1977).
(16) Velazco, Kolts, Setser, Coxon, CPL 46, 99 (1977).
(17) Brashears, Setser, Desmarteau, CPL 48, 84 (1977).

665
 666
State w Observed Transitions References
e
{i) Design. I v 00

(µ = 64.6780121) NOV 1977

112 (o. 24) I
Diffuse emission bands with
principal peak at 39510 cm- 1 • (J. 31) B-+X,b (2) (J) (4)

Broad diffuse bands at 27770 and J0760 cm-1 • B,A,b (2)(3)

Unstable. I I
0 Repulsive state with van der Waals minimum of unknown depth.

(µ = 12.65916504) NOV 1977

Emission system at 20)00 cm-1, observed in a d.c. discharge through Xe+ N 2 • (1)

(µ = 14.26510493) NOV 1977

Broad emission continuum with maximum at 42200 cm-1 , in discharges
F F~X,a (lb)(4)(5)
through Xe+ trace of o2 and in chemiluminescence of Xe( 3 P 2 ) + N2o.
Narrow band group at J4JOO cm-1 in discharges through Xe+ o 2 •
Laser excitation produces a broad emission band at )4500 cm-1 in (F-+A) (2)(13)
solid argon. .,
152 H (8)(13)
H (l)(la)(lb)
(J)* ( lJ)
Ab initio potential functions (12). The
J246o ( 1b) ( 8 ) ( 13)
molecular states arise from
c ( 1 li) Repulsive state. Xe ( 1 s) + o (ls) 1 d,
b ( 1 n) (15600)b 97d H 8.7 Xe( 1s) + o(ln) 1 a,b,c,
a ( 1 E+) (13068)b J72g H 12.0 Xe(ls) + o(Jp), X,A.
A (JE-) Repulsive state.
x (Jn) Repulsive state. .J
XeI1 aEnergy of the potential minimum relative to Xe( 1s) +
I( 2PJ/2 ). All constants obtained by trial-and-error
matching of observed and calculated spectra (4).
bObserved in the reaction of metastable Xe (JP 2 ) atoms
with I 2 and CF JI (1) and when Xe+ HI or Ar+ Xe+ I 2
mixtures at high pressure (,...., 1 atm) are bombarded by
electrons (2)(4).
(1) Velazco, Setser, JCP 62, 1990 (1975).
(2) Brau, Ewing, JCP 2.J, 4640 (1975).
(J) Ewing, Brau, PR A 12, 129 (1975).
(4) Tellinghuisen, Hays, Hoffman, Tisone, JCP £2,
447J (1976).
XeN: (1) Herman, Herman, Nature 12.1, 156 (1962).
XeO: aCharge-transfer transition from a largely ionic upper
state (+XeO-) to the largely atomic ground state; see
(5). In argon matrix absorption at 44040 cm-1 (10).
bTe relative to Xe( 1s) + o(JP 2 ).
cObserved in emission from electron-beam excited high-
densi ty Xe+ o 2 mixtures ( 8) and as laser-excited
fluorescence in rare gas matrices (lJ).
dThe b state vibrational numbering (8) is uncertain;
according to (lJ) it may have to be increased by +l.
eLifetime T(v==O,l) ~ 50 us (7); (9) suggest the much
shorter value 'C~ O.l us.
fobserved in an ozonizer-type discharge through Xe
( rv 1 atm) +traces of o
2 ( J); partially resolved
rotational structure. Laser-excited fluorescence in
rare gas matrices (lJ). Laser oscillation observed
using electron-beam excitation of high-pressure Xe
containing small amounts of o 2 (6)(11).
XeO (continued) 1
gThe a state vibrational numbering (J) may have to be raised
by +J unitsr an unambiguous numbering has not been estab-
lished in spite of the availability of xe 18 o data in solid
argon (lJ).
hNarrow emission peak; in solid argon and neon at Jl940 and
J2670 cm- 1 , respectively.
(1) Kenty, Aicher, Noel, Poritsky, Paolino, PR Q.2., J6
(la)Herman, CR 222, 492 (1946). (1946).
(lb)Herman, Herman, JPR 11, 69 (1950).
(2) Cuthbertson, Herman, CR~' 1J55 (1952).
(J) Cooper, Cobb, Tolnas, JMS 1, 22J (1961).
(4) Stedman, Setser, JCP j_g_, J957 (1970).
(5) Golde, Thrush, CPL ..£2., 486 (1974).
(6) Powell, Murray, Rhodes, APL .£2., ?JO (1974).
(7) Tisone, JCP 60, J716 (1974).
(8) Lorents, Huestis, in Lecture Notes in Physics, Vol.1]1
Laser Spectroscopy, p. 100 (Springer, Berlin 1975).
(9) Aleksandrov, Vinogradov, Lugovskii, Podmoshenskii,
OS (Engl. Transl.) 41, 224 ( 1976).
(10) Ault, Andrews, CPL 1], J50 (1976).
(11) Basov, Babeiko, Zuev, Mikheev, Orlov, Pogorelskii,
Stavrovskii, Startsev, Yalovoi, SJQE £, 505 (1976).
(12) Dunning, Hay, JCP 66, J767 (1977).
(lJ) Goodman, Tully, Bondybey, Brus, JCP 66, 4802 (1977).
667
 668
State Te we wexe Be "'e De re Observed Transitions References
(10-7 cm-1 ) (i) Design. l voo
sq Y2 µ = 44.4529334 D0O = 1. 62 eV a JUL 1975

c112)1tr> Yb (µ = 86.465923) D0O= 0.1 7 eV a JUL 1975

2
'*")Yb C35>C1
C1 7 (µ = 29.1154527) JUL 1975 A
B t2E)a 19928.o 315.0 H 2.0 (fragment only) B-+X, v 19939.1 H (1)
Jl4.6 H 1.38 A2 -+X, v 19380.0 H (l)*
A2(2n)a
Al { 19)69.3
17882.0b 314.4 H l.12c A1 -+ X, v 17892.1 H (l)*
X (2E)a 0 293. 6d H l.23d

c11'*">Yb'9F (µ = 17.1276445) °
n0 = 4.8 eVa SEP 1976 A

r
B (2E+) 1 (21067) b
2 [511.75] H [0.2486]c [1.990] B+-+ X, v 21074.25dH (2)

b
(19460) [540.35] H [0.24863] [3.16] 8 [1. 9896] A2 +-+X, V 19470.99f z (2)*
A2( 2Il) ·~
b [o.24704 Jg Al +-+X, V 18106.28f z
Al 2 (18090) [473.72] H [2.14] [1. 9960] (2)

x 2r:+ 0 [501.91] z 2.20 H [0.24140]

5 .J. 0.0015 [2.18] 2.0161
 aThermochemical value (mass-spectrom.)(l).
(1) Verhaegen, Smoes, Drowart, JCP 40, 239 (1964).
Yb 2 1 aThermochemical value (mass-spectrom.)(l).
(1) Guido, Balducci, JCP jl_, 5611 (1972).
YbCi: aAssignments by analogy with YbF (2).
b(l) give 17800.9 which does not fit their data.
c f{J'=O} relative to N"=O.
IJJeYe= +0.0072.
dAverage of the constants from A1 - X and A2 - X.
(1) Gatterer, Piccardi, Vincenzi, RS!, 181 (1942).
(2) See ref. (2) of YbF.
YbF1 aCorrected (1) linear Birge-Sponer extrapolation for the
ground state {2). See, howev~r, (3) who derive ng~5.36eV
from the Yb+ F 2 chemiluminescence spectrum.
bHigher 6G values in (2}; strong perturbations.
0
Large perturbations.
dHead nearest to origin.
e H = +4 • x10 -12 •
0 1
gll-type doubling 6vfe = -0.40(J+i).
(1) Hildenbrand, AdHTC !, 193 (1967).
(2) Barrow, Chojnicki, JCS FT II 21., 728 (1975).
(J) Yokozeki, Menzinger, CP 14, 427 (1976).
669
 670
State Te w
e wexe Be ae De re Observed Transitions References
(lo-5crn- 1 ) (.i) Design. J voo

(17Lf.)Yb I H (µ = 1.00201939) n0°~ (l.93) eVa JAN 1976 A

F
lb [4.155]c [16.6] [2.012] F.r+X, v 22002. 39d z ( 2) (6)
2
E (2.L:+) 1 [4.2497]e [19.7] [1. 9897] E~X, v 17822.56d z (2)* (3) (6)
2

D (2Il) H 16780
15325.6
[1319.7] z (19.4)
[1307.54] z 21.02
h
4.1609f
4.1950 1
0.0886
0.0898 h
[14.68]g
[15.33]j
2.0108
2.0026
I D~X, v
16834. 72d z
15375.58d z
(1)(2)
(1)(2)*
(.3)(6)
c (11 > ~) ~ 15200 ~ 1500k (JO) (4.4)k (2)

B (1.) ~15400 ~13701, (.3.2),e ( 2) ( 4)

2

a r+
L:3/2
4 +
I;l/2 Not observed.
[4.672 ]m
3
[7.l]n [1.8976]
a-+ X,
13183.92dz (5) (7)

x 2r;+ 0 1249.54 z 21.06 J.99305

0
0.0956/ 16.18q 2.0526

c11i,.)yb2H {µ = 1.99104715) JAN 1976 A

F la [2.1289]b [4.24] [1.9943] F-4X, c v 21986. 20d z (2)* (.3) (6)

2
E ( 2r;+) 1. 17768.6 968.65 z 24.41 [2.1425]e f [-8]g [1.9879] E-+X, v 17806.16d z (2) (3) (6)
2

D (2Il) H 16778
15326.4
[945.50]
957.9
z (15.6)
z 9.7
[2.0924l]h
2.122j
0.0472
0.039
[3.962] 1
[4.18]k
2.0003
1.997
D~X, v
16822.lBd z
1536 2. 3d z
(2)
(2) (7)

a
r
I;3/2
4 +
I;l/2
x 2:E+
13008.5

0
1084.4

886.6
z

z
9.84

10.57
2.35161.
[2.193l]n

2.01162P
0.0371

0.03425q
3.4om
[4.8]

[ 4.160J
0
1.8975
[1. 9648]

2.0516
a-4X, v
13107. 6 od z,
12493.15d z
(5) (7)*
(.3) ( 4) * (7)
Yb 1H1 aFrom the predissociation in Di (v=O). The fact that asee b of Yb 1H.
a 4~
112 was not observed for Yb 1H may be due to pre-
dissociation 1 in this case ng ~ 1.55 eV.
bfl-type doubling, llvfe
Perturbations.
- 0.2Jl(J+t) + ••••

bveseth (6) suggests n = 3/2. cone P, one R, and two Q branches.

cfl-type doubling, 6vfe = - o.23(J+!) + ••• (2). dsee dof Yb 1H.
Different constants in (6). Perturbations. e.Q-type doubling, 6vfe(v=O) = + 6.989(J+t) - ••• (2).
d{J'=O} relative to N"=O. Slightly different constants in (6). Perturbations.
f
eLarge Jl-type doubling, 6vfe = + 13.60(J+!) - •••• B1 = 2.104, B2 = 2.013.
f levels perturbed by v=2 of D t (6). gH 0 = - J4 x lo- 8 • Additional Dv, Hv values in ( 2).
fPerturbations. fi-type doubling, llvfe(v=O) = hPerturbations. fl-type doubling, 6vf (v=O) =
4 e
+ 5 • 19 x 10 - 4 ( J-! ) ( J +t ) ( J + t) - . . . . + o.682xl0- (J-!)(J+!)(J+-f) - •• .s for v=l see (2).
gD 1 =16.5x10-5; H = + 2.8x10- 8 • i.D = 6 .OxlO -5 ;H =+5.0xl0 -10 ,H =+ 4 .9xl0.
1 0 1
-8
1
hData for v=2 (B = 3.958) from a perturbation in the Jn-type doubling, llvf (v=O) = - 2.59o(J+t) + ••••
e 4 +
f levels of E, v=O. See (6). Perturbations by levels of ~
312 •
i.n-type doubling, 6vfe(v=O) = - 4.89(J+!) + •••• kD 1 , D2 (10-5cm- 1 ) = J.80, 3.3 6 ; and higher order
Perturbations. An accidental predissociation occurs constants.
l
in v=O near the intersection with a level of B (t). Q-type doubling, llvfe(v=O) =
jD1 = 15. 7 x 10-5. + o.003634 (J-!)(J+-!)(J+f) - ••• •
kFrom perturbations in the ! and t components of D. m139 ~ - 0.09; also higher order constants.
Vibrational numbering unknown. nLarge .Q-type doubling, 6vf (v=O) = - 9.051(J+j-) + •••
o e
!From perturbations in the e levels of D t, v=O and 1. Also higher order constants.
Vibrational numbering unknown. Pspin splitting 6v 12 (v=O) = + 0.2876(N+!) - ••••
m.Q-type doubling, bvfe = + o.0285 8 (J-!)(J+i)(J+f) - ••• • qfe - 0.000320.
nAlso higher order constants. r D = 4 .17 4 x 10 -5 , He ~ + 6 .J x 10 -10 •
1
0
spin splitting 6vl2(v=O) = + o.5688(N+!) - •••• (1) Kopp, Naturw. !±2., 202 (1962).
Pre - 0.0010 8 • (2) Hagland, Kopp, ~slund, AF J,g, J21 (1966).
qfo = + o.18x 10-5; H + 4.02x lo-9, (J) Kopp, Hougen, CJP !±..5., 2581 (1967).
9 0
H1 = + 4.J9xl0 -9 , H2 + 4.6xl0-. 9
(4) Hagland, Kopp, AF J2., 257 (1969).
For ref. see Yb 2H. (5) L. Hagland, Thesis (Stockholm, 1969), quoted in
DONNSPEC (1970).
(6) Veseth, JP B §, 1484 (1973).
(?) Kopp, Ragland, Rydh, CJP j], 2242 (1975)1 USIP
Report 75 - 15 (July 1975).

671
 672
State T
e w
e wx
e e B
e ae De re Observed Transitions References
(lo-7cm-1 ) (i) Design. 1 voo

<11lf.)Yb'6Q (µ = 14.64793353) Dao~ 3.68 eva or ~4.08 evb. SEP1976A

Unclassified, mostly R shaded emission bands in the region 17700 - 21500 cm- 1 • (l)* (2)*

s9y3sc1 µ = 25.0974229 JUL 1975

c 11: 14907.6 324.5 H 1.14 (O.l089)a (0.0007) (0.9)a (2.484) c~x, R 14879.5 H (1)
x 11: b 0 380.7 (o.116o)a (0.0003) (o.9)a (2.406)
H 1.3
I I I
sqy19F µ = 15.6534084 D0O= 6 .2 eV a DEC 1976 A
G ln 31253.6 [536.30] (Z) 2.13 0.27661 0.00233 [2.96] 1.9731 G+-? X, R 31205.80 z (1) (2) (3) (6)
F 11:+ 28022.5 552.9 H 2.69 [0.27536] [2.76] [1. 9776] F~X, R 27980.81 z (2)(4)(7)
E ln
b [581.92] (Z) [o.2709o]c 0.0024 [2.5] [l. 9938] E~X, (R) 25464.33 z (3)(4)(6)
D ln b [o.26805]d [2.0044] D +- X, R 25324. 90 z (J) (6)
[3.3]
c 11:+ 19242.4 [527.20] (Z) 2.45 0.26666 0.00177 [2.64] 2.0096 0"4-+ x' R 19190.35 z (2) (3) (6)
5~4 e a 3 ++ 14865.9
b 3(fl3
a 15051. 7
536.1 H 2.41 [0.277] [l.972] b~a,
15028.0
R 14842.8
H
H (2)(J)
2
a1 +14658.l 14635.5 H
$2
B ln 15934.2 [534.67] ( z) 2.35f o.26709g 0.00156 [2.61] 2.0080 B+-+X, R 15885.78 z (1) (2) (3) (4)
( 6)
3 583.5 H 2.49
a3
a 3ll3
3ll2
e
a2 582.3 H 2.42 [0.285] [1.944]
ill al 581.2 H 2.39
x 12:+ 0 [631.29] ( z) 2.50 0.29042 0.00163 [2.37] 1. 9257

s9y1qF+ DEC 1976

2 x + 28062.4 716.6 H 2.J8 to.3065jh t2.0j 2n-:>- 2ll, v 28088.37 z
n(r) x12 + 27964. 0 [ 711. 53] z 2.41 H 0.3055 0.0015 2.2 [1.8760] 27990.34 z (7)
2 x2 664.7 H 2.30 to.296oj t2.2j
ll(r) xl 663.7 H 2.29 0.2953 2.2 [l.9086]
Yb01 ~hermochemical value (mass-spectrom.)(J), recalc. (4). YF, YF+1 ~hermochemical value (mass-spectrom.)(5).
bFrom the Yb+ o chemiluminescence spectrum (5). bThe absorption spectrum in this region contains se-
3
(1) See ref. (1) of YbCl. veral overlapping bands, and it is not certain how
(2) Gatterer, Junkes, Salpeter, Rosen, METOX (1957). many states are involved (J)(6). Perturbations.
(J) Ames, Walsh, White, JPC 11, 2707 (1967). c.1\-type doubling (6), t,,v = o.0007x J(J+l).
(4) Smoes, Coppens, Bergman, Drowart, TFS £.2., 682 (1969). dA-type doubling (6), t,,v = 0.00049 x J(J+l).
(5) See ref. (J) of YbF. eAssignments by analogy with ScF.
f1.61 in (2)(4).
YCl1 aUncertain. The D values from the rotational analysis ~A-type doubling (J)(6), t,,vef = (-)O.OOOlJ 2 xJ(J+l).
are approximately twice as large as the values calcu- A-type doubling, t,,v = o.0079(J+~).
lated from D = 4B3/w 2 • (1) Barrow, Gissane, PPS 84, 615 (1964).
bNot certain that this is the ground state. (2) Shenyavskaya, Mal'tsev, Gurvich, OS(Engl. Transl.)·
(1) Janney, JOSA ..2§., 1706 (1966). 21, J74 (1966).
(J) Barrow, Bastin, Moore, Pott, Nature ~' 1072
(1967).
(4) Shenyavskaya, Mal'tsev, Gurvich, VMUK 22(4), 104
(1967).
(5) Zmbov, Margrave, JCP ~' Jl22 (1967).
(6) R. F. Barrow, in DONNSPEC (1970).
(7) Shenyavskaya, Ryabov, JMS .2.J, 2J (1976).

673
 674
State Te w
e w x
e e B
e «e De re Observed Transitions References
(lo-7cm- 1 ) (.i) Design. l voo

a<Jy160 µ = 13.55606469 D00 = 7.2 9 eVa JUL 1975 A

(1)(2)(3)
2L:+ (4)* (5)*
B 20791 765.5 H 8.0 [o.3722]b [3.8] [1. 827 9J B+-+ X, R 20741. 92 z (6)* (7)*
(9) (11) (16)
(17) (18) (19)
(1)(2)* (J)
16742.2 822.7~ 16722.7 ez (4)* (5)*
A 2n 3°97 [o.3857]d (0.0023) [J.5] [1.7956] A~X, R (6)* (7)*
r 16315.0 820.7 3.50 16294. 752e Z (9)(11)(17)
(18)
x 21:+ 0 861. oc 2.93 [o.388l]f (0.0018) [J.2] [1. 7900] ESR sp.g

s9y(32) S (µ = 23.5154972) D0O= 5. 4 ev a JUL 1975

5
A 2Il 13971 t438j A"r X, b 13949 (2)
1J462 447 1)444
x 21: 0 [483] b

s9ycso>se (µ = 42.0859334) 0
DO = 4.4 9 eVa JUL 1975

s9y<13o>Te (µ = 52.7823928) D0o = 3. 4 8 ev a JUL 1975

Y01 aThermochemical value (mass-spectrom.)(20), see also (8) YS1 aThermochemical value (mass-spectrom.)(l).
(10)(12)(13)(14)(15). bVisible, IR, and ESR spectra of YS in rare gas ma-
bSpin-splitting constant fo = (-)0.148. trices at 4 K (2). Gas phase spectrum not observed.
cRedetermined, taking into account estimated head-origin (1) See ref. (14) of YO.
separations.
(2) Mcintyre, Lin, Weltner, JCP 2§., 5576 (1972).
dA-type doubling in 2 nA, 6vfe(v=0) o.151(J+~).
e{J'=O} relative to N"!o. YSe1 aThermochemical value (mass-spectrom.)(l).
fNuclear magnetic hyperfine structure; b = - 0.027 cm -1
(1) Ni, Wahlbeck, HTS 1, 326 (1972).
[from the ESR spectrum, (11)(18)].
gin rare gas matrices (11)(18). YTe1 aThermochemical value, no details (1).
(1) Johnson, Johnson, PRS A lJ.1, 207 (1931). (1) Uy, Drowart, HTS~' 293 (1970).
(2) Meggers, Wheeler, JRNBS £, 239 (1931).
(J) Jevons, "Band Spectra of Diatomic Molecules", Phys.
Soc. London (1932).
(4) Piccardi, GCI .2.J., 127 (1933).
(5) Gatterer, RS 1, 153 (1942).
(6) See ref. (2) of YbO.
(7) Uhler, Rkerlind, AF 12., 1 (1961).
(8) White, Walsh, Ames, Goldstein, in "Thermodynamics of
Nuclear Materials", p. 417. IAEA, Vienna (1962).
(9) Ortenberg, Glasko, SAAJ £, 714 (1963);
Ortenberg, Glasko, Dimitriev, SAAJ Q, 258 (1964).
(10) Ackermann, Rauh, Thorn, JCP 40, 883 (1964).
(11) Kasai, Weltner, JCP !±.J., 2553 (1965).
(12) Smoes, Drowart, Verhaegen, JCP !±J., 732 (1965).
(13) See ref. (3) of YbO.
(14) Coppens, Smoes, Drowart, TFS 2.J., 2140 (1967).
(15) Drowart, Pattoret, Smoes, PBCS No. 8, 67 (1967).
(16) Murthy, Murthy, PPS .2.Q, 881 (1967).
(17) Veits, Gurvich, DC 1.ZJ., 377 (1967).
(18) Weltner, McLeod, Kasai, JCP 46, 3172 (1967).
(19) Dube, Rai, Singh, IJPAP 10, 87 (1972)r
Dube, IJPAP 10, 167 {1972).
(20) Ackermann, Rauh, JCP 60, 2266 (1974).
675
 676
State w Observed Transitions References
e
(i) Design. I
(µ = 32.4561179) JUL 1975 A
Large number of continua and diffuse bands in emissio~ and absorption. See (1).

(µ = 35.3186586) JUL 1975

c ( 2 n) 32523 358.0: H 2.00 b 32543: H (1) (2) (3) (5)

2
B ( E)
32125 350.0 H 2.00 I
Unclassified bands from 11800 to 30000 cm-l.c
I I c~x,

B-+X, R
32141 H (7)(8)
(2)(4)(6)
2
X ( E) 0 318.0a H 2.00
I l l
(µ = 22.6043892) JUL 1975
2 E-+ X, b (4)
E ( E) (48186.4) (345.4) (5.0) R 48163.0 (Z)
c ( 2 rr) 33977.9 381.8 H 1.0 C+-+ X, R 33973.7 H (1)(4)
33593.4 384.0 H 1.1 33590.2 H
2
B ( E) (27316) (185. 0 ) H (0.53) B1X, R (27213) H (2)(5)(6)
2
X ( E) 0 390.5 H 1.55

cc,1t-)Zn 133 Cs '2 (µ =43.165842 )

1 JUL 1975
Diffuse V shaded absorption bands at 19363 and 19503 cm- 1 • (1)

wi->zn 19 F (µ = 14.6459379) JUL 1975

2
D ( E) D~ X, a R (38633) H (1)
([596 .8]) HH~
c ( 2 n) (37359)
(36987) ([601.5]) c.- X, a R (§U~4:~~ ~~ (1)
2
X ( E) 0 (628) H (3.5)
zn2 r (1) W. Finkelnburg, "Kontinuierliche Spektren", ZnCl1 aNa D line chemiluminescence in Na/ZnCt 2 flames l\3),
Springer (Berlin, 1938). revised].
b0-0 sequence only.
ZnBr1 aFrom the analysis (8) of the absorption spectrum. An
earlier analysis (3) of absorption measurements by (1) (1) See ref. (1) of ZnBr.
gave ~· ~ 250, ~" ~ 220. (2) See ref. (2) of ZnBr.
bShading uncertain. (3) Horn, Polanyi, Sattler, ZPC B 11, 220 (1932).
cSuggested vibrational constants in (6). (4) Cornell, PR 2±, 341 (1938).
(5) See ref. (4) of ZnBr.
(1) Walter, Barratt, PRS A 122,201 (1929).
(6) Patel, Rajan, IJPAP 2, 330 (1967).
(2) Wieland, HPA g, 46, 77 (1929).
(3) Howell, PRS A 182, 95 (1943). ZnCs1 (1) Barratt, TFS~' 758 (1929).
(4) Wieland, in "Contribution ~ l'Etude de la Structure
M~leculaire", Vol. comm. Victor Henri, Ed. Desoer, ZnF1 8niffuse bands, predissociation.
Liege (1948)1 p. 229. (1) Rochester, Olsson, ZP 114, 495 (1939).
(5) Ramasastry, Sreeramamurty, PNISI 16, 305 (1950).
(6) Patel, Rajan, IJP 42, 125 (1968).
(7) Rajan, Shah, IJPAP 1, 61 (1969).
(8) Gosavi, Greig, Young, Strausz, JCP 2±, 983 (1971).

677
 678
State Te w
e w x
e e B
e ae De re Observed Transitions References
(lo- 4 cm- 1 ) (i) Design. I voo

~4 Zn'H µ = 0.99218372 D00 = o. 851 eV a JUL 1975 A

c 22:+ 41090 1824 H 48 [7.23]b [4.7] [1. 533] c.-x, v 41200 H (6)
B 22:+ 27587.7 1020.7 z 16.5 [3.288]c [1.40] [2.273] B-f> X, R 27303.9 z (2)
A 2Il r 23276.9d 1910.2 z 40.8 7.4332e 0.2385 [4.482]f 1.5119 A_,..X, v 23431.8g z (1)(2)(J)(4)
(5)(9)
x 22:+ 0 1607.6 z 55.14h 6.6794 1 o.25ooj [4.66]k 1.59490 ESR sp. 1,

(f>If.>tn 2 H {µ = 1.95258556) D00 = 0.87 9 evm JUL 1975 A

c 22:+ (41110) 1313 H 24 c.._x, v 41204 H (6)
A 2n n [3.736] 0 [l.31JP [1. 5202] A-+ X, v 23391.5g z ( 3) ( 9)
r
x 2z::+ 0 [1072] H (28) [3.3497]q [1. 240] [1.6054]

('11f.>zn 1H+ D00 = (2.5) eV JUL 1975

A lz::+ 46700 1365 z 15 5.767 0.105 4.o 1.716 A-+X, R 46431 z (1)(2)
x 12:+

(b4->2n 2 H+
0 1916 z 39a
l 7.407 0.238
l 4.8
l 1.515

JUL 1975
A 12:+ 46693.9 974.4 z 7.6 2.928 0.042 1.0 1.717 A-+X, R 46501. 7 z (3)
x lz::+ 0 1364.8 z 19.8 3.766 0.107 1.0 1.514
I I I
zn1 H, zn 2Hs zn1H, zn 2H (continued)&
p -8
H0 = + 1. 6 x 10 •
aShort extrapolation for the ground state.
bAll lines diffuse; predissociation. qSpin doubling 6v 12 = + o.131(N+!), see (3).
cAll observed vibrational levels of B 2 E show pertur- (1) Watson, PR 1§., 1134 (1930).
bations by A 2 rr levels with v ~ 1. The rotational con- (2) G. Stenvinkel, Dissertation (Stockholm, 1936).
stants in (2) are satisfactorily reproduced by Ref. to earlier work are reviewed in this paper.
Bv = 3.304- o.033(v+!) + o.ooo6o(v+t) 2 - o.00024 (v+!)3, (3) Fujioka, Tanaka, Sci. Pap. IPCR (Tokyo) .lf., 143
5
except for v=l, 2, and 3 all of which are close to the (193?).
intersection of the two potential curves. (4) Stenvinkel, Svensson, Olsson, AMAF 26, No. 10, 1
dAo = + 342.66, A1 = + 342.06 [as recalculated in (9) (1939).
from the data of (2)]. (5) Mrozowski, PR 2§., 59? (1940).
eRotational constants for v=O and 1 as recalculated in (6) Khan, PPS 80, 599 (1962).
(9) from the data of (2). A-type doubling in 2 ni' ( 7) Veseth, JP B ], 1677 (1970).
6vfe(v=O) ~ + o.26 (J+i) - ••• , and in 2rr [see (3) (8) Knight, Weltner, JCP 25., 2061 ( 1971).
9 312
and (2)]. (9) Veseth, JMS 1§., 228 (19?1).
fn = 4.46x10-4 , H0 = + i.3 4 x10- 8 , H1 = + o.9x10- 8 •
1
gJ'.=-ft (average of F 1 and {F 2 }) relative to N"=O. A Zn 1H +, Zn 2H+ c
different definition was used in (2). aw e y e =- 0.2.
hw e y e = + 0.398, we z e = - o.4339. Very rapid conver-
(1) Bengtsson, GrundstrOm, ZP 2Z,, 1 (1929).
gence. Th~ constants [from (2)] lead to a discrepancy
(2) Bengtsson-Knave, NARSSU Ser. IV, §, No.4 (19}2).
_of nearlr 6 cm-1 for the highest observed level, v=5.
1 (3) Gabel, Zumstein, PR £, 726 (1937).
Spin doubiing, 6v 12 (v=O) = + 0.254(N+t} - ••• [(2),
see also (?)], decreasing rapidly with increasing v.
j_ o.03765(v+t) 2 + 0.00897(v+t)3 - 0.0014?9(v+t} 4 •
kn 1 , ••• , n (10-4cm- 1 ) = 5.00, 5.49, 6.58, 8.40, 10.5.
5
Also higher order terms, see (2).
lrn Ar matrix at 4 K (8).
mFrom the value for zn1H.
nAo = + 342.82, as recalculated in (9) from the data
of ( 3).
0
Rotational constants recalculated in (9) from data
in (3). A-type doubling in 2 ni' 6vfe ~ + 0.17 0 (J+t) - ••• ,
see ( 3).

679
 680
State w we x e Observed Transitions References
e
Design. 1 v 00

(µ = 42.5129187) JUL 1975

E 44115 142 H J E-t>X, R44073 H (5)
D (J9911) (80)a H (l.J) D-+ X, (J9839)a H (7)
c V 30138.zb H (2)(8)*
30125.8b 248.2 H 0.72 c ~X,
2
c2c2n)
cl 29498.9 272.0 H 0.50 c1 +-X, V 29523.2 H (8)*
B ( 2 E) Bands in the region 16000 - 28600 cm- 1 ; no analysis. B-+X, R (1)(2)(J)(6)
2
X ( E) 0 22J.4 H 0.6 d
3

<""')Zn cus>rn (µ = 41.0757819) JUL 1975

Two narrow emission continua near 22160 and 24370 cm-1 • (1)
D ( 2E) c + 177J2.0 107.0 H 1.0 n .... c,a v i7757.2 H (1)
c {2E) c 56.l H O.l
B ( 2n) a+l88Jl.2 19J.9b H 0.6 B-+A, V 18854.8 H (l)*
18810.8 201.2 H 0.6 18838.0 H
A ( 2E) a 146.7 H 0.7 ,

(µ = 24.2088389) JUL 1975

V shaded diffuse absorption band at 24107 cm-1 • (1)

JUL 197.5
Unclassified, mostly R shaded emission bands in the region 17300 - 20500 cm- 1 • (4)

(µ = J6.4707JJ9) JUL 1975

Unclassified absorption bands in the region 22.500 - 24000 cm-1 • (1)
Znia aOnly bands with v" ~ 15 and v' ~ 2; neither the analysis ZnK, ZnRb1
nor the assignment to ZnI appear certain. (1) See ref. (1) of ZnCs.
bWieland (2) gives T8 = 30117.6, v 00 = 30129.5.
cAccording to (8) most of the diffuse emission bands Zn01 ~hermochemical value (mass-spectrom.)(1)1 (2)(3).
of system D of (4) in the region 30500 - 31300 cm-l
(1) Anthrop, Searcy, JPC 68, 2335 (1964).
fit well into the c 2 - X system. (2) Hirschwald, Stolze, Stranski, ZPC (Frankfurt am
dAverage value from c1 -X and c2 -x.
Main) 42, 96 (1964).
(1) Terenin, ZP 44, 713 (1927). (3) See ref. (4) of ZnS.
(2) See ref. (2) of ZnBr. (4) Pesic, CCA ].§, 313 (1966).
(3) Oeser, ZP .2j, 699 (1935).
(4) Rao, Rao, IJP 20, 49 (1946). ZnRb1 See ZnK.
(5) Ramasastry, IJP 22, 119 (1948)
(6) See ref. (4) of ZnBr.
(7) Ramasastry, IJP £1, 35 (1949).
(8) See ref. (8) of ZnBr.

Znina aSystem of complex appearance; more recently (2) attri-

buted to Znin 2 •
bo-o sequence only. It is assumed that A( 2t) is the
lower state.
(1) Santaram, Winans, PR A ..!J.Q, 57 (1964).
(2) See ref. (1) of ZnTt.

681
 682

3 (6 4->
T

Zn C32}S
e
w
e

(µ = 21. 3130477)
w x
e e

0
B

0 = 2.0 8
D
e

eVa
()(
e De re
(.R)
Observed Transitions
Design. I v 00
References

JUL 1975
The origin of two absorption continua with long wavelength limits at 35700 and 46500 cm- 1 ,
formerly attributed to ZnS (1), appears doubtful; see (3)(4).

JUL 1975

JUL 1975
1
The origin of two absorption continua with long wavelength limits at 17830 and 31480 cm- ,
formerly attributed to ZnTe (1), appears doubtful; see (2).

(µ = 48.7306254) JUL 1975

Emission continuum, 25400 - 26500 cm- 1 • (1)
Broad,intense emission band at 21360 cm- 1 , followed by weaker V shaded bands at 21440,
21550, 21660, 21770, 21880 cm-1 • (1)
Emission continuum, 17900 - 18700 cm- 1 • (1)

(µ = 42.0270224) JUL 1975

Unclassified, mostly R shaded band heads in emission at 26600 - 26650 and 26910 - 26980 cm- 1 • (l)*
26481.0 H
System Ba Four 0-0 sequences (w'-ill" ~ -3.5) of narrow R shaded heads; in em •• 26305.2 H (l)*
Possibly quartet system. { 26133.9 H
25959.6 H
24396.0 H
System Ca Four groups of narrow R shaded heads, three of the groups having the 24177.2 H (l)*
appearance of long 0-0 sequences (w'-w" ~ +6); in emission.4-n-+4-I:? { 23936.3 H
(23708)
----------------------------h~"'~'h'X.~---------------'--------------------
ZnSs 8Thermochemical value (mass-spectrom.)(2)(J)(4). ZnTta (1) Santaram, Vaidyan, Winans, JP B ~' lJJ (1971).
(1) Sen Gupta, PRS A~' 438 (1934). ZrBra (1) Sivaji, Rao, PRIA A 1.Q, 1 (1970).
(2) Colin, ICB 26, 1129 (1961).
(J) Marquart, Berkowitz, JCP J.2., 28) (196.3).
(4) De Maria, Goldfinger, Malaspina, Piacente, TFS 61,
2146 (1965).

ZnSes aThermochemical value (mass-spectrom.)(l).

(1) See ref. (4) of ZnS.

ZnTes ~stimated thermochemical value (2).

(1) Mathur, IJP 11, 177 (19.37).

(2) See ref. (4) of ZnS.

683
 684
State w wx Observed Transitions References
e e e
Design. J voo

(901zrc35>c1 (µ = 25.1763829) JUL 1975

35231. 7 H
System Ai Three 0-0 sequences (w'-w" ~ +15) of line-like heads. n'=t'~'~-7 L:?4
R 34816.4 H (l)*
34354.6 H
Very complex system of R and V shaded band heads in the region
System B: (26918) (l)*
26300 - 27600 cm- 1 ; in emission.
24704.6 H
System Cz Four 0-0 sequences ( w • -w" ~ +8) of complex structure. 4Il 4' 4 L:? R 24530.4
24343.8
H
H
(l)*
(24155)

(µ = 1_5.6840882) JUL 1975

The spectrum attributed to ZrF ( 1 ) was shown to be due to CuF ( 2) •

(µ = .52.6237395) JUL 1975

Groups of unclassified emission bands in the region 24800 - 26000 cm- 1 • (1)
25416.6 H
System B1 Four 0-0 sequences (w'-w" ~ -2) of line-like R shaded heads, R
25276.6 H
(l)*
Possibly quartet system. 25117.2 H
24958.6 H
23564.8 H
System Cs Four 0-0 sequences ( w' -w" ~ + 5) of line-like band heads. 4 n ~ 4 2:? R 23282.2 H
(l)*
22995.4 H
(22720)

µ = 12.11595793 °
n0 = 5.8 1 eva JUL 1975 A
A
b
[o.4798] [1. 7029] A-+X,c 17701.8 H (2)
17133.0 H
x 0 [o.4832] [1.6969]
ZrCL1 (1) Carroll, Daly, PRIA A 61, 101 (1961). ZrN1 aThermochemical value (mass-spectrom.)(l).
bA ~ + 567.
0
ZrF1 (1) Afaf, PPS A§_}, 544, 1156 (1950). cPerturbations.
(2) Carroll, Daly, PPS A 1..Q, 549 (1957).
(1) Gingerich, JCP !12, 14 (1968).
ZrI1 (1) Sivaji, Rao, PRIA A 1..Q, -7 (1970) (2) J. K. Bates, T. M. Dunn (Dept. of Chemistry, U.
of Michigan, Ann Arbor), abstract of paper E8
presented at the 27th Symposium on Molecular
Structure and Spectra, Columbus, Ohio (1972).

685
 686
State Te w we x e Be ae De re Observed Transitions References
e
(lo-7cm- 1 ) {i) Design.
J voo

9ozr160 µ = 13.57906789 0
D0 = 7.85 eva I.P. = 6.1 evb AUG 1975 A
Additional unidentified systems in gas phase emissions
1
a) Headless bands in the region 12600 - 13200 cm- 1 no analysis. (6) (10)
1
b) Isolated R shaded band (one R, one P branch) at 12203.1 cm- (10)* (14)
1 ' (16)*
accompanied by a weaker head at 12216.7 cm- •
10750.3 H
c) Mostly R shaded heads in the region 10500 - 11800 cm -1 ; ten- 10731.4 H
tative analysis (10) gives w~ = 862.9, w~x~ = 8.81 w"
e = 945.4, 10715.J H (2)(10)
10700.l H
w~x; = 8.6; uncertain. 10685.3 H
and in matrix absorption at 17025c and 19J97d cm- 1 • (19)
f -7-af R JJ99J.7 H
f (Ji\) JJ888.4 H (7)(10)
f-system JJ685.2 H
28780.Je HQ
e -+(a), R 28620.le HQ (7)(10)
e 8-system 28501. 7e HQ
E~X,fg R (7)(10)(13)*
.c; lE+ 27212.4 84J.27 z J.04 0.3951 0.0019 3.4 1. 7726 System A 27144.71 z (16)* (19)
(21)(26)
D -+A, R z (9)(14)*
D 11\ y + 19J21.5 [8J5.4] z 2.56 H 0.3986 0.0021 J.8 1.7648 System B 19272.55 (16)* (21)
(l)* (J)*
z
0.3953~ 2.4~
x + 22314.9 d+--+a,f R 21631.48 (10)(11)*
d 3t; x + 21894.J 820.6 H J.J1
f0.3926 (0.0021) f1.8 1.7761 oc-system 21548.46 z (16)* (17)
x + 21594.3 0.3896 .3-5 21536.36 z ( 18) ( 20) ( 21)
(.32)
c~a,f R 17466.46~1 z
fo.405s~h ~3-9~
x + 18137.6 (l)* (12)*
c Jn
r x + 18079.4 845.4 HR J.64 o.4032 (0.0023) 5.0 1.756 fo-system 17745.89 z (16)* (21)
x + 18041.3 0.3960 2.4 17995.70 z (29)(32)
(l)* (4)
x + 16700.5 ~o.40438~ 0.00191 b~a,f 16033. 81~ z (11)* (16)*
b 3~r x + 16070.4 853.9 HR J.14 o.40368 0.00210 f3.617
3.642fk 1.75143 r-system
R 15741.Jl;, z (17)(18)(21)
x + 15468.o o.40307 0.00198 3.562 15426.78 z (22)(2J)*
(27)(32)
ZrOr 8Thermochemical value (mass-spectrom.)(15)(24)(31)()4). ZrO (continued) 1

bBy electron impact (30)(J4). gAbsorption in rare gas matrices (19).

cln a Ne matrix; 6G'(i) = 872. For tentative assign- hA-type doubling, see (29).
ments of gas phase emission bands in the same region ~v 00 c3n 1 - 361 ) = 18033.80, v 00 (3n 2 - 36 2 ) = 17804.l.
see (16). JB - B ; constants for v=2 in ( 27).
din a Ne matrix; AG'(~) = 836. 0 1
kD v values for v=l, 2 in (27).
eThe stronger R heads are at '28512.0, 28630.4, and
t{J'=O} relative to {J"=O}. A different definition
28790.5 cm-1 • was used in (27).
fAbsorption in stellar atmospheres (5)(8)(25).

687
 688
State Te w
e wexe Be «e De re Observed Transitions References
( 10-7cm-1 ) (.i) Design. 1 voo

9ozr•6Q (continued)

B ln 1.5443 859m [o.40l.54]n [3.52] [1.75832] B+-+X/g R 1.5383.41° z (16)* (19)

3 (28)*
A 16 y 938.1 H 1.80 [o.4167] (0.0012) [3.5] [1.7260]

a 3A
r
x + 625.5 p
x + 287.91 936.5 HR J.47
~0.,,.1573~
o.41475
0.00173
0.00190 ~3-309~~
3.269 k l. 728.5
x o.41328 0.00178 3.169
x l:E+ 0 [969.76] z 4.9 0 [o.42263] 0.0023 [J.19] 1.7116 IR fundamentalq
ZrO (continued) 1 ZrO (continued) 1

mFrom the matrix (Ne) absorption spectrum, in good (14) ~kerlind, AF 11, .395 (1956).
agreement with w = 858 from Kratzer's relation. (15) Chupka, Berkowitz, Inghram, JCP 26, 1207 (1957).
n.A-type doubling, Avfe = + 0.00024x J(J+l). (16) Gatterer, Junkes, Salpeter, Rosen, METOX (1957).
0
{J'=O} relative to J"=O. A different definition was (17) Ortenberg, SAAJ 2, 588 (1962).
used in (28). (18) Ortenberg, Glasko, SAAJ £, 714 (1963).
PThe energy of a JA above X 1 t is estimated (.33) as (19) Waltner, McLeod, Nature 206, 87 (1965)1 JPC ..§2,
1 700 +
- 250 cm -1 from the temperature dependence of the J488 (1965).
integral absorption coefficients for the 0-0 bands of (20) Singh, Pathak, PPS .2Q, 54J (1967).
E- X and d- a. The triplet splittings derive from the (21) Nicholls, Tyte, PPS .21, 489 (1967).
obse~vation (29) of two satellite bands of pCo-0)1 (22) Singh, Pathak, PPS .21, 497 (1967).
see 1 • (23) Schadee, Davis, ApJ 1.2,g,, 169 (1968).
qin a Ne matrix at 4 K (19). (24) Brewer, Rosenblatt, AdHTC £, 1 (1969).
(1) Lowater, PPS 44, 51 (1932). (25) Davis, Keenan, PASP 81, 2JO (1969).
(26) Liszt, Smith, JQSRT 11, 104) (1971).
(2) Meggers, Kiess, JRNBS ~' J09 (1932).
(27) Tatum, Balfour, JMS 48, 292 (l97J).
(J) Lowater, PTRSL A~' 355 (1935).
(4) Tanaka, Horie, PPMSJ £1, 464 (1941). (28) Balfour, Tatum, JMS 48, JlJ (197J).
(5) Davis, ApJ 106, 28 (1947). (29) Lindgren, JMS 48, J22 (1973).
(6) Kiess, PASP 60, 252 (1948). (JO) Rauh, Ackermann, JCP 60, 1J96 (1974).
(7) Afaf, Nature 164, 752 (1949). (Jl) Ackermann, Rauh, JCP 60, 2266 (1974).
(8) Herbig, ApJ 1.Q.2, 109 (1949). (J2) Schoonveld, Sundaram, ApJ ~' 207 (1974).
(9) Afaf, PPS A .2.J, 674 (1950). (JJ) Veits, Gurvich, Kobylyanskii, Smirnov, Suslov,
(10) Afaf, PPS A §1, 1156 (1950). JQSRT 14, 221 (1974).
(11) Lagerqvist, Uhler, Barrow, AF~' 281 (1954). (J4) Murad, Hildenbrand, JCP .QJ., llJJ (1975).
(12) Uhler, AF~' 295 (1954).
(13) Uhler, ~kerlind, AF 10, 4Jl (1956).

689
 690
APPENDIX

Ag2 (10) Brown, Ginter, JMS .£2., 25 (1978). Absorption spectrum.

AgBi (4) Lochet, JP B 10, 277 (1977). Laser excited fluorescence.
AgCd, AgHg (1) Kasai, McLeod, JPC J.2.., 2J24 (1975). ESR sp. in rare gas matrices.
AgO (5) Griffiths, Barrow, JP B 10, 925 (1977). A n -7X 2 n.
2

(6) Griffiths, Barrow, JCS FT II 1.1, 94J (1977). Electronic spectra in rare gas matrices.
Ag Zn (1) Kasai, McLeod, JPC J.2.., 2J24 (1975). See AgCd.
Ai.Br (12) Ram, SpL 2, 4J5 (1976).
(lJ) Rosenwaks, JCP §2, J668 (1976). a Jn 1 r:+ in chemiluminescence.
-7 X

Ai.Ci. (lJ) Rosenwaks, JCP §2, J668 (1976). a Jn --rX 1 r:+, b Jr;+ ~a Jn in chemiluminescence.
Ai.F (JO) Kopp, Lindgren, Malmberg, PS 14, 170 (1976). a Jn ~X 1 r:+, rotational analysis.
(Jl) Rosenwaks, JCP £2, J668 (1976). a Jn, A 1 n ~ X 1 z::+ 1 b Jr;+, c Jz::+ -+a Jn in chemiluminescence.
(29) Pelissier, Malrieu, JCP §]_, 596J (1977). Theoretical calculation of the ground and valence excited
states.
A.lI (5) Rosenwaks, JCP .§2, J668 (1976). See Ai.Br.
0
AJ.,Q (5J) Frank, Krauss, ZN J1 a, 119J (1976). D0 = 5.1.z eV.
(54) Lindsay, Gale, JCP 66, J886 (1977). B 2r;+-+ X 2 r:+ in chemiluminescence.
(55) Sayers, Gale, JCP §1, 5442 (1977). A 2 n.1 --r X 2 r:+ in chemiluminescence.
(25) Gillen, Saxon, Lorents, Ice, Olson, JCP 64, Jr;~ well depth from scattering data, De= 0.78 eV, re= 2.JJ ~.
1925 (1976).
(26) Saxon, Liu, JCP 64, J291 (1976). Ab initio calculations of JI:+
---- g
and JI:+u states.
(27) Aziz, JCP .§2, 490 (1976). Ground state potential.
(28) Ng, Trevor, Mahan, Lee, JCP 66, 446 (1977). Photoionization of Ar 2 , I.P. = 14.5 4 eV.
(29) Aziz, Chen, JCP .§:]_, 5719 (1977). Ground state potential and molecular constants.
(6) Miller Ling, Saxon, Moseley, PR A 1.J., 2171 (1976). Photodissociation cross sections, 5650- 6950 ~.
Ar 2+ {cont'd) (7) Moseley, Saxon, Huber, Cosby, Abouaf, Photofragment spectroscopy; X 2 r:+ 2 r:+ 2n potentials.
o u' g' g
Tadjeddine, JCP .21., 1659 (1977). D = l.JJ ev.
0
(8) Wadt, JCP 68, 402 (1978). Calculated potential curves of low-lying states.
ArF, ArF+ (J) Gardner, Karo, Wahl, JCP .Q.2, 1222 (1976). Hartree-Fock potential energy curves for X 2 L:+ and 2n states
of ArF.
0
( J) Bassi, Dondi, Tommasini, Torello, Valbusa, H- Ar potential from scattering data. De= 4.16 meV, re=
PR A .1.J, 584 (1976). j 3.62 5L
ArKr (4) Piper, Setser, Clyne, JCP .£], 5018 (1975). Interaction of metastable Ar with Kr. Molecular emission at
7565 R.
(5) Bobetic, Barker, JCP 64, 2J67 ( 1976). Calculated ground state vibrational energy levels.
(6) Nain, Aziz, MP ]J, JOJ (1977). Ar - Kr intermolecular potential.
(7) Buontempo, Cunsolo, Dore, Maselli, JCP 66, Translational absorption spectrum.
1278 ( 1977).
(8) Ng, Tiedemann, Mahan, Lee, JCP 66, 5737 (1977). Photoionization of ArKr, I.P. = lJ.42 eV.
5
Aro (5) Julienne, Krauss, Stevens, CPL }§., J74 ( 1976). Collision-induced oxygen 1s 0 - 1D2 emission near 5577 R in
argon. Calculated bound - bound spectrum.
(1) Ding, Karlau, Weise, CPL !±.2, 92 (1977). 4 r:- potential from o+-on-Ar scattering data; De= o.68 eV,
re=2.02R.
ArXe (J) See ref. (5) of ArKr.
(4) Chashchina, Shreider, JAS 1.}, 914 {1975).
(5) Castex, JCP 66, 3854 (1977). Absorption spectra 1150 - 1500 R. Potential curves.
(6) See ref. {8) of ArKr. Photoionization of ArXe; I.P. = 11.98 eV.
5
AsF (11) Vasudev, Jones, CJP 2.2, 337 {1977). Rotational analysis of two overlapping systems f o+, e o- ~
x2 1 {previously called B~ X).
AsN (7) Krishnamurty, Thomas, IJPAP 14, 236 (1976). Isotope shifts.
Ass (6) Ashrafunnisa, Rao, Rao, IJP 12., 580 (1975). Ai - x 2 Franck-Condon factors, potential functions.
AuCa (2) Coquant, Houdart, CR B 284, 171 (1977). Rotational analysis of A-X, B-X; preliminary results.
AuLi (2) Ihle, Langenscheidt, Zmbova, JCP 66, 5105 ( 1977). IR sp. in rare gas matrices; extrapol. gas phase frequencies
bG(t)= 746 and 705 cm- 1 for Au 6Li and Au7Li, respectively.

691
 692
AuO (2) Griffiths, Barrow, JCS FT II 1J, 943 (1977). Absorption and emission spectra in rare gas matrices.
Predicted gas phase constants v 00 ~ 25000, w• ~ 600, w" ~ 675.
AuSi (6) Coquant, Houdart, CR B 284, 171 (1977). Rotational analysis of A-X 1 , preliminary constants.
BaBr (9) Hildenbrand, JCP 66, 3526 (1977). n 00 = J. 71 eV (mass-spectrometric value).
BaC.l (15) See ref. (9) of BaBr. D~= 4.48 eV (mass-spectrometric value).
Bao (41) Ackermann, Rauh, Thorn, JCP 22, 1027 (1976). I.P. = 6.85 eV (electron impact).
(42) Wormsbecher, Lane, Harris, JCP 66, 2745 (1977). Microwave optical double resonance, Stark effect1 dipole
+ µe.l (v=7) = 2.2 D.
moment of A l E, 0
(43) Hocking, Pearson, Creswell, Winnewisser, Millimeter wave spectrum.
JCP 68, 1128 (1978).
Bas (6) Tiemann, Ryzlewicz, Tarring, ZN Jl a, 128 (1976). .
Rotation sp. of 1J8 Ba 32 S; B = 0.10331 4 JO, rx = O.OOOJ1509 ,
-7 e -8 e 5
te= -4.47x 10 , De= J.09 5 x 10
BeAr+ (J) Subbaram, Coxon, Jones, CJP ..2!±, 1535 (1976). A 2nr ~ X 2 E+, high resolution analysis; molecular constants.
(17) Gohel, Shah, IJP 48,. 932 (1974). A- X RKR Franck-Condon factors.
(2) Coxon, Jones, Subbaram, CJP jj, 254 (1977). 2
A nr ~x E+, high resolution analysis.
2

(24) Stern, Kaldor, JCP 64, 2002 (1976). Many-body perturbation theory applied to eight states.
(25) Pyper, Gerratt, PRS A .J.22, 407 (1977). Spin-coupled theory of molecular wavefunctions [x 1 E+].
(12) suzer, Lee, Shirley, JCP 22, 412 (1976). Photoelectron sp., I.P. = 7.53, 8.94 eV (X 2 nui) and 9.30 eV
2
(A E;).
(lJ) Teichman, Nixon, JCP Q:l, 2470 (1977). New electronic states of matrix-isolated Bi 2 •
BiC.l (12) Kuijpers, Torring, Dymanus, CF 18, 401 (1976). Microwave sp.; constants for Bi35c.t Be= o. 09212553, a'e =
0.0004020J, ••• , also hfs constants.
BiF (16) Kuijpers, Dymanus, CP 24, 97 (1977). Microwave sp. I Be= O. 22998897, a'e = O. 00150262, ••• 1 also hfs
constants.
(23) Griffing, Simons, JCP 64, J610 (1976). Theoretical study of BO-, I.P.= 2.79 eV.
(44) Le Roy, Macdonald, Burns, JCP §2, 1485 (1976). Band C state repulsive potential curves from a fit of cal-
culated continuum absorption coefficients to experimental
data; B- X and C- X transition moment functions.
Br 2 (cont'd) (45) Zaraga, Nogar, Moore, JMS 21, 564 (1976). B-X transition moment from absolute line absorption
measurements. Estimated B state radiative lifetime 20 µs;
predissociation quantum yields near unity.
(46) Chang, Hwang, JMS £2, 4JO (1977). Resonance fl}'lorescence with argon-ion laser excitation.
(47) Chang, Hwang, JCP £Z, 3624 (1977). Resonance Raman study; fundamental and eight overtones in-
vestigated with high resolution.
(48) Tellinghuisen, CPL~' 485 (1977). Reassignment of the "E~B" system to the transition
D' ( Jng) 2g-? A' ( 3nu) 2u• Vibrational constants.
(49) Lindeman, Wiesenfeld, CPL jQ, 364 (1977). Laser induced photodissociation; B~ X and c~ X relative ab-
sorptivi ties.
(50) de Vlieger, Eisendrath, JP B 10, L46J {1977). Hanle effect studies of several rotational levels of
B(3nu)o~, v'=40,45.
BrC.t (15) Wright, Spates, Davis, JCP 66, 1566 (1977). Laser-excited fluorescence from B 3n 0+; lifetime 18. µs.
5
BrF, BrF+ (12) Clyne, Curran, Coxon, JMS 21, 43 (1976). Laser excitation spectrum of BrF B 3n 0+ ~ X 1 E+. Rotational
analysis. Predissociation.
(13) Clyne, McDermid, JCS FT I I 11, 1094 (1977). Laser-excited fluorescence from B 3n 0+; lifetime 24. µs.
7
BS (9) Bell, McLean, JMS 21, 521 {1976). Two new emission systems, E 2 E+-+ X 2r:+ ( v00 = 479 3 3. 6) and
E 2 t+ -+A 2 ni. Rotational and vibrational constants.
(60) Tatarczyk, Fink, Becker, CPL 40, 126 (1976). Lifetimes of single vibrational levels of d Jng;. T= 120 ns
corresponding to f 00 ~ 0.025 for the Swan system.
(61) Cooper, Nicholls, SpL 2, 139 (1976). Transition probability data for seven band systems.
(62) Curtis, Engman, Erman, PS 1.J, 270 (1976). High resolution lifetime studies of d 3ng' c 1 ng, D 1 E~,
'[(v'=0)=12J, 31. 1 , 18. 1 ns, respectively. Corresponding
oscillator strength for the Swan bands f 00 = 0.026 1 •
(63) Leach, Velghe, JQSRT 16, 861 (1976). Laser pyrolysis; rad. lifetime of d3Ilg(v=O) ~240ns.
(64) Bell, Branch, ApJ 212, 591 (1977). Phillips system1 rot. dependence of Franck-Condon factors.
(65) Swamy, O'Dell, ApJ 216, 158 (1977). Franck-Condon factors for the Fox-Herzberg and Ballik-
Ramsay bands.
(66) Kini, Savadatti, JP B 10, 1139 (1977). Swan bands; relative intensities in discharge through CO.
(67) Chauville, Maillard, Mantz, JMS 68, 399 (1977). Line positions and molecular constants for A 1 nu - X1 E;.
Rotational perturbations in A 1 nu(v=l) by a previously unob-

693

c2 (cont'd)
(68) Langhoff, Sink, Pritchard, Kern, Strickler,
Boyd, JCP .Ql, 1051 (1977).
(13) Cederbaum, Domcke, Niessen, JP B 10, 2963 (1977).
(5) Sakurai, Broida, JCP §2, 1138 (1976).
(6) Miller, Andrews, CPL iQ, 315 (1977); Miller,
Ault, Andrews, JCP .Ql, 2478 (1977).
CaBr (11) Puri, Mohan, IJPAP 14, 512 (1976).
(12) Hildenbrand, JCP 66, 3526 (1977).
CaCL (15) Domaille, Steimle, Wong, Harris, JMS .§..2, J54
(1977).
(16) Domaille, Steimle, Harris, JMS 66, 503 (1977).
(17) Brinkmann, Telle, JP B 10, 133 (1977).
(25) Berg, Klynning, Martin, OC 11, 320 (1976).
(9) Kaving, Lindgren, PS 1}, 39 (1976).
CaMg (1) Miller, Ault, Andrews, JCP .Ql, 2478 (1977).
Cao (22) Andrews, Ault, JMS 68, 114 (1977).
(23) Benard, Slafer, Love, Lee, AO 16, 2108 (1977).
( 24) Creswell, Hocking, Pearson, CPL 48·, 369 ( 1977).
(25) Hocking, Pearson, Creswell, Winnewisser, JCP 68,
1128 ( 1978) •
694
served level of c 3E~ leading to revised constants for the
c state (Te= 9227 .4, etc.).
Ab initio study of perturbations between 1X E;
and b JE~.
Theoretical calculation of I.P.= J.60 eV.
Laser photoluminescence.
Absorption and emission spectra in solid argon and krypton.
Resolved vibrational structure 14000 - 16000 cm- 1 , w• ~
lll(Ar), 117(Kr); w" ~ 78(Kr).
Extension of the C-+ X and D->-X systems.
ng= J.18 eV (mass-spectrometric value).
B E+ -X 2E+, rotational analysis. See ( 16).
2
X 2 E+ rotation spectrum using laser microwave optical
double resonance. Rotational constants for X1 B;= 0.152233,
~~= 0.000800, and B1 B~== 0.154700, a~= 0.000889. Spin-
splitting constants ~o= +0.00136, to=
-0.0652.
Ca*+HCL(or CL 2 ) chemiluminescence, A~X and B-+X. ng~
4.28 eV.
Laser excitation spectroscopy of the B 2 E - X 2E transition.
Absorption spectrum 2800 - 3200 R. Rotational analyses of the
5p complex (K 2 E, L2n) and of the 4d complex (G 2 E, J 2Il only).
Absorption in solid argon and krypton, vibrational struc-
ture 17300 - 19000 cm- 1 •
IR spectra of matrix-isolated CaO; four isotopes.
Modulated transmission spectroscopy of chemi-excited Cao.
Absorption from a Jn and A• 1 n.
Pure rotational spectrum, Be= o.4444527 4 , ae = o. 0033126 6 for
40 ca16 o. See (25).
Millimeter wave spectrum.
CaSr (1) Miller, Ault, Andrews, JCP Q.z, 2478 (1977). · Absorption in solid argon, vibr. structure 14400 - 15200 cm- 1•
(6) Ault, Andrews, JMS £2, 102 (1977). UV absorption in solid argon and krypton, vibr. \structure
35000 - 36700 cm- 1 •
(11) Jourdan, Negre, Dufayard, Nedelec, JP(Paris) Lifetime of A 2n, r~ 70 ns.
..rz.,
L-29 ( 1976) •
(12) Dufayard, Nedelec, JP(Paris) ~' 449 ( 1977). Lifetimes, A-doubling, hfs of A 2n.
Ce I (1) Chantry, JCP .2..,2, 4412 (1976). Negative ion formation in Cer • D(Ce-I)~ 3.7 eV.
3 7
( 2) Chantry, JCP .2..,2, 4421 (1976). Positive ions by electron impact on Cer • I.P.(CeI) 5.9 eV.
3
(9) Ackermann, Rauh, Thorn, JCP .2..,2, 1027 (1976). I.P. = 4.90 eV {electron impact).
(50) Evenson, Radford, Moran, APL 18, 426 (1971). Pure rotational transition by IR laser magnetic resonance.
(51) Carozza, Anderson, JOSA Q.z, 118 (1977). Radiative lifetime of A 2 1:1., T(v=O,l) = 511 ns.
(52) Levy, Hinze, ApJ 211, 980 (1977). Predicted A-doubling spectrum of 1 3cH.
(53) Hammersley, Richards, ApJ 214, 951 (1977). Ab initio calculation of the i\-doubling in excited rotational
levels of CH and CD.
c2tt ( 9) See ref. (53) of c 1H.
c 1H+ ( 23) Erman, ApJ b!:J, L89 (1977). f 00 = 0.0072 for A-X, from improved lifetime measurements.
(24) Elander, Oddershede, Beebe, ApJ 216, 165 (1977). Theoretical spectroscopic constants and lifetimes for A-X.
c2tt+ (J) See ref. (24) of c 1H+.

C.l2 (44) Wells, Zipf, JCP 66, 5828 (1977). Translational spectroscopy, dissociative excitation of c.t 2 •
(45) Chang, Hwang, JCP Q.Z, 4777 (1977). Resonance Raman spectrum of gaseous chlorine, 1:1.v ~ 8.
(46) Hwang, Chang, JMS .£2, 11 (1978). Resonance fluorescence of gaseous chlorine.
(47) Coxon, Shanker, JMS .£2, 109 (1978). Rotational analysis of B 3n + ~X 1 r:+ of 35c.t and 35, 37 C.t in
0 2 2
the chlorine afterglow emission spectrum. Constants for
35ct 2 1 Te= 17817.67, w~ = 255.38, w~x~= 4.59, w~y~= -0.038,
B' = 0.16313, o<' = 0.00242, t' = -0.000057. Reinterpretation of
e + + e e
the Og~ Ou system observed by (lJ).
(8) Martinez de Pinillos, Weltner, JCP .2..,2, 4256 ESR sp. of C.l -
2
in various ion pairs at 4 K.
(1976).
(9) Sullivan, Freiser, Beauchamp, CPL 48, 294 (197?). Gas phase photodissociation of ct 2 -, broad peak at 3500 ~
.
attributed + X 2 r:u.
to 2 l.:g+- +

695

CJ.F, C.tF+ (19) Fabricant, Muenter, JCP 66, 5274 (1977).
C.t.O, C.tO- (18) Bulgin, Dyke, Jonathan, Morris, MP J,g,, 1487
(1976).
(19) Amano, Hirota, JMS 66, 185 (1977).
(20) Arnold, Whiting, Langhoff, JCP 66, 4459 (1977).
(21) Langhoff, Dix, Arnold, Nicholls, Danylewych,
JCP .§1, 4306 (1977).
(22) Mandelman, Nicholls, JQSRT 11, 48.3 (1977).
(2J) Cooper, JQSRT 11, 543 (1977).
(24) Menzies, Margolis, Hinkley, Toth, AO 16, 52J
( 1977).
(25) Rigaud, Leroy, Le Bras, Poulet, Jourdain,
Combourieu, CPL 46, 161 (1977).
(26) Wine, Ravishankara, Philen, Davis, Watson,
CPL 2.Q, 101 (1977).
CN (74) Miller, Freund, Field, JCP ..Q.2, 3790 (1976).
(75) Bailey, ApJ 211, 596 (1977).
{76) Bacis, Cerny, d•rncan, Guelachvili, Roux,
ApJ 214, 946 (1977).
(77) Dixon, Woods, JCP .§1, 3956 (1977).
(J) Pacansky, Liu, JCP 66, 4818 (1977).
(163) Rao, in .. Spectroscopy", International Review of
Science, Physical Chemistry (2) J (e~. Ramsay),
Butterworths, London (1976), p. 317.
(164) Fleming, JQSRT 16, 63 (1976).
696
Molecular beam electric resonance; hf, Stark, Zeeman
properties. µeJ.(+C.tF-)=+0.8 D.
5
Photoelectron sp., I.P. = 10.87 eV, w(C.tO+) l::l 1040 in X JI:-.
Microwave sp. in X 2n(v=l).
MCSCF+ IC wave functions, properties of X 2n, A 2n.
Theoretical intensity parameters for vibration-rotation
bands.
A-X band oscillator strengths, continuum absorption cross
sections, electronic transition moment.
A- X electronic transition moment.
Fundamental vibration-rotation spectrum.
A- X absorption cross sections.
A-X high resolution absorption cross sections.
Identification and characterization of a 4 r:+by anticrossing
spectroscopy.
Abs. coefficients for the fundamental and first overtone
vibration-rotation bands.
A 2n -X 2r:; absolute wavenumber measurements by Fourier spec-
trometry, analysis of the 0-0 band. Rotational constants.
Laboratory microwave spectrum. Rotational and hfs constants
for X 2E+(v=O,l).
Hartree-Fock electron affinity of CN 3.29 eV.
Wavenumbers for the 1-0 and 2-0 vibr.-rot. bands of 12c16o,
CO laser lines. Improved Dunham coefficients.
Line strength and halfwidth measurements from far-infrared
absorption spectra.
CO (cont'd) (165) Bouanich, JQSRT 16, 1119 (1976).
(166) Ogilvie, Koo, JMS 61, JJ2 (1976).
(167) Todd, Clayton·, ·.Telfair.; Mccubbin, Pliva, JMS 62,
201 (1976).
(168) Chackerian, Valero, JMS 62, JJ8 (1976).
(169) Banna, Shirley, JESRP ~' 255 (1976).
(170) Hamnett, Stoll, Brion, JESRP ~' J67 (1976).
(171) Phillips, Lee, Judge, JCP §.2, Jll8 (1976).
(172) Chackerian, JCP §.2, 4228 (1976).
(17J) Corvilain-Berger, Verhaegen, CPL 2.Q, 468 (1977).
(174) Domin, Domin, Rytel, APP A .51, 78J (1977).
(175) Huffaker, JMS §.2, l (1977).
(176) Kirschner, Le Roy, Ogilvie, Tipping, JMS §.2,
)06 (1977).
(177) Kay, Van der Leeuw, Van der Wiel, JP B 10, 2513
(1977).
(178) Marcoux, Piper, Setser, JCP 66, 351 (1977).
(179) Ermler, Mulliken, Wahl, JCP 66, 3031 (1977).
(180) Phillips, Lee, Judge, JCP 66, J688 (1977).
(181) Kirby-Docken, Liu, JCP 66, 4309 (1977).
(182) Hemminger, Cavanagh, Lisy, Klemperer, JCP £1,
4952 (1977).
(183) Provorov, Stoicheff, Wallace, JCP £1, 5393(1977). Laser excited fluorescence from A 1 n; lifetimes of unper-
(184) M8hlmann, de Heer, CP 21, 119 (1977).
X 1 E dipole moment function and transition moments.
Dunham potential energy coefficients.
Infrared emission; precise line positions for the i-o, 2-1,
2-0 transitions of 12 c16 o. 6v=l- sequences measured up to
v'=20,ll,4 for 12 c16 o, 1 3c 16 o, 12c 18 o, respectively. Dunham
coefficients for all three molecules.
Absolute intensities for the 4-o vibr.-rot. band.
Photoelectron spectrum at 1J2.J eV.
PE branching ratios, partial ionization cross sections.
d J6i ~X 1 t fluorescence, 't"(v'=J) = 4.7 µs. Electronic tran-
sition moment variation, (d- X)/(d- a) branching ratios.
X 1 t+ dipole moment function.
Theoretical lo(ls 0 ) and 2o(lsc) ionization potentials.
Analysis of the 4th pos. system of 12c 16 o in the near UV.
X 1 t+ RKR potential.
Ground state dipole moment function.
Energy loss spectra near the carbon K.edge.
IR radiative decay constants for the vibrational levels of
a Jn.
Molecular orbital correlation diagrams.
A~ X fluorescence from photodissociation of co ; transition
2
moment variation.
Ground state dipole moment function (theor.).
Stark effect in dJ6.(v=4)+-a
1
Jn r (v=O), µ eN4 (d36,v=4) =
0.42 D (-CO+).
turbed rotational levels ""10. 9 ns, longer for perturbed
levels.
Dependence on r of the electronic transition moment for the
Jrd pos. gr. (b~a).
697

CO (cont'd) (185) Meerts, de Leeuw, Dymanus, CP 22, Jl9 (1977).
(186) van Sprang, Mohlmann, de Heer, CP 24, 429 (1977).
(187) Norbeck, Merkel, Certain, MP~' 589 (1977).
(188) Plummer, Gustafsson, Gudat, Eastman, PR A 1.2,
2JJ9 (1977).
co+, co++ (41) Janjic, Pesic, ApJ £Q2., 642 (1976).
(42) Gagnaire, Goure, CJP 2±., 2111 (1976).
(4J) Mohlmann, de Heer, CPL !±J, 170 (1976).
(44) Carrington, Sarre, MP JJ, 1495 (1977).
(45) See ref. (179) of co.
(46) Kay, Van der Leeuw, Van der Wiel, JP B 10, 2521
(1977).
(47) Lee, JP B 10, JOJJ (1977).
(48) Mohlmann, de Heer, CP 21, 119 (1977).
co- (9) Zubek, Szmytkowski, JP B 10, L27 (1977).
(10) King, Mcconkey, Read, JP B 10, L541 (1977).
(8) Murthy, Gowda, Narasimhamurthy, Pramana §, 25
CP
( 1976).
CrMo (1) Efremov, Samoilova, Gurvich, CPL 44, 108 (1976).
cs, cs+ (JO) Coxon, Marcoux, Setser, CP 1.1, 40J (1976).
(Jl) Domcke, Cederbaum, von Niessen, Kraemer, CPL !±J.,
258 (1976).
698
Molecular beam electric resonance. Stark-Zeeman spectra in
V=O,J=l of 12Cl60, 1JC160, 12Cl80.
Radiative lifetimes of a'JE+(v=4 ••• 9) 10.24 ••• 6.82 µs,
b JE+(v=O) 56 ns, C 3n(v=O) 16 ns, B 1 E+(v=O) 34 ns,
d J l:\ ( V=l. •• 16) 7. JO ••• 2. 94 µs
Theor. dipole moment functions for a Jn and A 1 n.
Partial photoionization cross sections 18 - 50 eV.
Rotational analysis of the 1st neg. system of 12 c 18 o+.
Rot. anal. of the CO+ A-7-X 2-0 band; .L\doubling constants.
Radiative lifetimes for A 2 Ili(v=0 ••• 9) 3.8 2 ••• 2.1 1 µs.
A 2n ~ X 2 E absorption in an ion beam.
Auger decay of carbon-K ionized CO.
Cross sections for the production of B ~ X fluorescence by
photoionization.
Electronic transition moment function for the 1st negative
system (B- X).
Comparison of experimental and calculated cross sections for
resonant vibrational excitation of CO by electron scattering;
derived ground state constants W=l895 cm-1, r 0 =1.223 R,
I.P. = -1.52 eV, f = 0.80 eV.
Negative-ion resonances associated with K-shell-excited
states of CO.
2 2
B E -A n RKR Franck-Condon factors.
Absorption spectrum near 4800 R.
A 1 n -+X 1 E, A 2n -»X 2 E; intensity and wavelength measurements.
Calculated He I photoelectron spectrum of cs.
cs, cs+ (cont'd)
(32) Robbe, Schamps, JCP £2, 5420 (1976). Ab initio calculation of CS valence states and perturbation
parameters.
(JJ) Black, Sharpless, Slanger, JCP 66, 2113 {1977). CS{a3rr) produced in photodissodiation of cs 2 • Radiative
lifetime !'(a 3rr) ~ 16 ms.
(34) Chong, Takahata, JESRP 10, 137 (1977). Theoretical calculations of photoelectron spectra.
(J5) Todd, JMS 66, 162 (1977). High resolution measurement of the 2-0 vibr.-rot. band of
12 c3 2s and 12 c34s; improved vibr. and rot. constants.
(36) Cossart, Horani, Rostas, JMS .£1, 283 (1977). a3rrr-+X 1 I:+9 rotational analysis, perturbations.
(37) Gauyacq, Horani, CJP, in press {1978). A 2 ni -?X 2 E+ of CS+; rotational analysis, perturbations.
(23) Benedict, Drummond, Schlie, JCP 66, 4600 (1977). Absorption spectra 8000 - lJOOO R, interpreted as
A 1 E+ ~ X 1 2:+ and b Jn ~ x 1 I:+
u g u g•
(24) Klewer, Beerlage, Los, Van der Wiel, JP B 10, Ion-pair formation in two-photon absorption of molecular
2809 ( 1977). cesium (5630 - 6350 ~).
(25) Toader, Collins, Johnson, Mirza, PR A 16, 1490 Molecular satellites of the 6 2s- 7 2P doublet of cesium.
(1977).
(26) Gupta, Happer, Wagner, Wennmyr, JCP 68, 799 Absorption studies in the visible and near visible region.
(1978).
CsAr (5) Sayer, Ferray, Lozingot, Berlande, JP B 2, Emission spectra of discharges in Cs-rare gas mixtures.
L293 (1976).
CsBr, CsBr+ (22) Potts, Williams, JCS FT II ,Lg, 1892 ( ],976). He II photoelectron spectrum.
CsCJ. (23) See ref. (22) of CsBr,CsBr+.
(24) Cederberg, JCP 66, 5247 (1977). Molecular beam electric resonance; hfs constants.
CsHe (2) See ref. (5) of CsAr.
CsI, Cs I+ (20) See ref. (22) of CsBr,CsBr+.
(21) Grossman, Hurst, Payne, Allman, CPL .2.Q, 70 Saturated photodissociation of CsI.
(1977).
CsKr, CsNe (J) See ref. (5) of CsAr.
CsXe (6) Marek, Niemax, PL A 51, 414 (1976). Emission bands 3500 - 6400 R.
(7) Marek, JP B 10, LJ25 (1977). Time-resolved fluorescence.

699
 700
(14) Steele, JMS 61, 477 (1976). Photoluminescence, lifetimes, and discharge excitation.
(13) Nair, Tiemann, Hoeft, ZN~ a, 1053 (1977). On the hfs in the rotational spectrum.
CuO (14) Appelblad, Lagerqvist, PS 1], 275 (1976). Rotational analyses of E 2A-+X 2n, H 2n -+X 2n, r 2n -+X 2n,
P 2n -+X 2n. Molecular constants, perturbations.
(15) Griffiths, Barrow, JCS FT I I 1.1, 943 (1977). Electronic spectra in rare gas matrices.
(16) Lefebvre, Pinchemel, Schamps, JMS 68, 81 (1977). Rotational analysis of a new system A• 2 r:+-+ X 2ni. Upper
state constants T0 = 155.31.90, we= 614.0, Bo= o.4382 8 ; large
spin doubling.
(17) Pinchemel, Lefebvre, Schamps, JP B 10, 3215 New 2t. 2
-+X rr transition. Upper state constants T 0 =
512 312
{1977). 15317.24, B0 = o.42536 •
CuS (6) Biron, CR B ~' 209 (1976). Rotational analysis of A-7-X 0-0 band.
DyO (6) See ref,., (9) of Ceo. I.P. 6.08 eV (electron impact).
Ero (5) See ref. (9) of Ceo. I.P. 6.30 eV (electron impact).
EuO (8) Dirscherl, Michel, CPL i.J, 547 (1976). Dependence of reaction cross sections of Eu+ o 2 on
collisional energy 1 Di=4. 97 eV.
(9) See ref. (9) of Ceo. I.P. = 6.48 eV (electron impact).
(10) Murad, Hildenbrand, JCP .£..5., 3250 (1976). D~= 4.8 5 eV (equilibrium mass-spectrometry).
(11) Balducci, Gigli, Guido, JCP .§2, 147 (1977). °
n0 = 4.84 eV (equilibrium mass-spectrometry).
(21) Hay, Cartwright, CPL 41, 80 {1976). Rydberg, ionic, and valence interactions in the excited
states of F 2 •
F +
2 (8) Banyard, Ellis, Tait, Dixon, JP B z, 1411 (1974). Ab initio studies of potential curves for low-lying states
of F 2 + and F 2++ •
(9) Guyon, Spohr, Chupka, Berkowitz, JCP .£..5., 1650 Threshold photoelectron spectrum of F 2 • Constants for X 2 ng'
(1976). A= 346, we= 1113, wexe= 9.75.
(6) McCormack, O'Connor, AA(Suppl.) 26, J7J (1976). Wavelengths and line intensities for the 4920, 5320, and
8690 R bands.
(7) Wing, Cohen, Brault, ApJ 216, 659 (1977). Confirmation of the presence of FeH in sunspots and cool
stars.
GdO (9) See ref. (9) of Ceo. I.P. = 5.75 eV (electron impact).
(10) Yadav, Rai, Rai, CJP ~' 2429 (1976). Emission spectrum 19400 - 22500 cm- 1 •
 (27) Mummigatti, Jyoti, APH 42, 99 {1977).
(170) Dehmer, Chupka, JCP .§2, 2243 (1976).
(171} Jette, JCP .§2, 4325 (1976)i §1_, 29J4 (1977)
(erratum).
(172) Lee, Carlson, Judge, JQSRT 16, 873 (1976).
(17J) Miller, Freund, JMS Qj, 19J (1976}.
(174) Wolniewicz, JMS Qj, 537 (1976).
(175) Anderson, Watson, Sharpton, JOSA .§1., 1641 (1977).
(176) Bunker, McLarnon, Moss, MP JJ., 425 (1977).
(177) Glover, Weinhold, JCP 66, 303 (1977).
(178) Borrell, Guyon, Glass-Maujean, JCP 66, 818 (1977). Predissociation, 680-860 R.
(179) Jungen, Atabek, JCP 66, 5584 (1977).
(180) Ford, Greenawalt, Browne, JCP .§1., 983 (1977).
(181) Prochaska, Andrews, JCP §1_, 1139 (1977).
(182} Bhattacharyya, Chiu, JCP §1, 5727 (1977).
(18J) Kolos, Rychlewski, JMS 66, 428 (1977).
(184) Wolniewicz, Dressler, JMS §1_, 416 (1977).
(185) Reddy, Varghese, Prasad, PR A !_2, 975 (1977).
(186) Rumble, Sims, Purdy, JP B 10, 2553 (1977).
(187) Turner, Kirby-Docken, D~lgarno, ApJ(Suppl.)
J.l(J), 281 (1977).
(188) Vogler, Meierjohann, PRL ~' 57 (1977).
A- X RKRV Franck-Condon factors.
High resolution measurement of relative photoabsorption and
photoionization cross sections at 78 K, 715 - 805 R.
Ab initio calculation of spin-rotation coupling in cJnu•
Absolute absorption cross sections of H2 and D2' 180 - 780 R.
Singlet-triplet anticrossings between B1 1 E+(Jp5) and
+ u
f .3 Eu (4p6'). ·
Non-adiabatic corrections to the rotational energies of
X lE+(v=0 ••• 3).
Elec~ron impact excitation
.
of G 1 r:+;
g
lifetime ""JO ns.
Application of the effective vibration-rotation hamiltonian
to H2 and n2 ; calculated vibration-rotation energies for H2
(v~14, J~5).
Calculated potential curve for the G,K 1 r:; double minimum
state.
Rovibronic interactions in the absorption spectrum; an ap-
plication of multichannel quantum defect methods.
Computation of nuclear motion and mass polarization adia-
batic energy corrections for X 1 B 1 E~, C 1 nu, D 1 nu.
E;,
Vibrational-rotational and pure rotational laser Raman
spectrum in solid inert gas matrices at 12 K.
Theoretical radiative lifetime of c Jnu(v=O) = 1.76 ms.
Ab initio potential energy curves for c 3nu, I 1 ng' i_Jng.
The E,F and G,K 1 E;states of hydrogen. Adiabatic calcu-
lation of vibronic states.
Collision-induced fundamental IR absorption band.
Calculated oscillator strengths for the c1 nu-x 1 E; Werner b ••
Calculated electric quadrupole vibration-rotation transition
probabilities for the ground state (v 614, J ~ 20).
Predissociation of c 3nu.
701
 702
1H (cont'd) (189) Glass-Maujean, Breton, Guyon, PRL 40, 181 (1978). Accidental predissociation of D'lll+(4p~).
2 u
(190) Kligler, Rhodes, PRL 40, 309 (1978). Two-photon excitation of E,F l~+.
g
(191) Wicke, JCP 68, 337 (1978). G,K double-minimum state.
1H2H (52) Smirnov, Mazurenko, OS(Engl.Transl.) 41, 566 Calculation of the permanent dipole moment.
(1976).
(53) See ref. (174) of 1H2 •
(54) Prasad, Reddy, JCP 66, 707 (1977). IR absorption; collision-induced fundamental band in HD+ Kr
and HD+ Xe mixtures at room temperature.
(55) Reddy, Prasad, JCP 66, 5259 (1977). IR absorption; collision-induced fundamental band of the
pure gas.
(56) Alemar-Rivera, Ford, JMS .£Z, JJ6 (1977). Non-adiabatic effects in the B, C, and E,F states of HD.
(57) See ref. (184) of 1H2 •
(58) See ref. (181) of 1H2 •
2H
2 (61) See ref. (174) of 1 H2 •
(62) See ref. (172) of 1Hz.
(63) See ref. (178) of 1 H2 •
(64) See ref. (179) of 1 H2 •
(65) See ref. (180) of 1 H2 •
(66) See ref. (181) of 1H2 •
(67) See ref. (184) of 1 H2 •
(28) van Asselt, Maas, Los, CP j, 429 (1974). Laser-induced photodissociation of H2 + and Dz+ in ion beams.
(29) Colbourn, CPL 44, 374 (1976). The use of the electron reduced mass in the electronic
Schr8dinger equation for Hz+ and its isotopes.
(JO) Ozenne, Durup, Odom, Pernot, Tabche-Fouhaill~, Laser photodissociation of H2+, D +, HD+ in ion beams. Com-
2
Tadjeddine, CP 16, 75 (1976). parison between experimental and ab initio computed frag-
ment kinetic energy spectra.
(Jl) Bishop, JCP 66, J842 (1977). Relativistic corrections for H2+ and its isotopes.
(32) Bishop, Cheung, PR A 16, 640 (1977). Calculated IR transition frequencies for H2+, Dz+, HD+, HT+,
(JJ) Cohen, McEachran, Schlifer, CPL .!±.2_, J74 (1977). .
Hyperfine structure o f H2+ • I DT+.
1H2H+' 1H3tt+ ( 7) Colbourn, Bunker, JMS QJ, 155 (1976). Accurate theoretical vibration-rotation energies and
transition moments for HD+, HT+, DT+.
(8) See ref. (JO) of lH 2+ •
1H2H+, 1HJrr+ (cont'd)
(9) See ref. (Jl) of 1H 2+ •
(10) Thomas, Dale, Paulson, JCP §:/_, 79J (1977). Photodissociation spectra of HD+ and D +.
2
(11) See ref. (32) of 1H2+ •
(12) Ray, Certain, PRL ]§_, 824 (1977). Calculated hyperfine structure in the IR spectrum of HD+.
3rr 2 +
(13) See ref. (28) of 1H2+ •
(14) See ref. (7) of 1H2H+, 1H3tt+.
(15) See ref. (JO) of 1H2 + •
(16) See ref. (J2) of 1H2+ •
(17) See ref.(lO)of 1H2H+, lHJH+.
(7) Buckley, Bottcher, JP B 10, L6J5 (1977). Feshbach projection-operator calculation of the resonant
states of H2-.
(48) Johnson, Ramsey, JCP §:/_, 941 (1977). Molecular beam elect~ic resonance, Stark hf structure.
(49) Niay, Bernage, Coquant, Fayt, CJP _22, 1829 (1977). Dunham potential coefficients.
(14) Bernage, Niay, JMS .2.J., 317 (1976). High resolution measurements of the 5-0 IR band; Dunham
coefficients.
(15) Fayt, Van Lerberghe, Guelachvili, Amiot, 1-0, 2-0, J-0, 4-0 IR absorption bands of n79Br and n 81 Br.
Bernage, Niay, MP Jg, 955 (1976). Equilibrium constants; precise calculated wavenumbers for
observed chemical laser lines.
(16) See ref. (48) of 1HBr.
(4) Bernage, Niay, CJP ,22, 1016 (1977). Calculated equilibrium constants from the constants for
HBr and DBr.
(8) Mohlmann, de Heer, CP 11, 147 (1976). Radiative lifetimes of A 2 E+, 't"(v=O,l,2)=4.5, 4.o, and
3.6 (DBr+) µs.
(65) Guelachvili, OC J:.2., 1.50 (1976). Absolute wavenumber measurements of the 2-0 IR absorption
band of H35c.t and HJ7c.t by Fourier spectrometry. Band
origins and rotational constants.
2Hc.t (28) Niay, Coquant, Bernage, Bocquet, JMS §j, 388 IR J-0 absorption band, high resolution measurements.
(1977). Dunham coefficients. Extrapolated constants for 3ttct.

703
 704
(6) Brown, Watson, JMS §2, 65 (1977). Spin-orbit and spin-rotation coupling in doublet states;
application to HCt+.
(7) Mohlmann, Bhutani, de Heer, CP 21, 127 (1977). Radiative lifetimes of HC1.+ A 2 E+, 'l"(v=O ••• 6) = 2.58 ••• l.85µs.
Dependence on r of the electronic transition moment.
(J) Gianturco, Thompson, JP B 10, L21 (1977). Theoretical evidence for short-lived resonances in electron
scattering.
(4) Taylor, Goldstein, Segal, JP B 10, 225J (1977). Computation of resonant states of HC1.-.
(5) Goldstein, Segal, Wetmore, JCP 68, 271 (1978). CI calculation on the resonant states of HC1.-.
(68) Brutschy, Haberland, PRL J§., 686 (1977). Crossed-atomic-beam study of the long-range parts of A 1 E+
1 + u
and C Eg. The A state has a potential hump of 0.047 eV at
J.14 ~-
(69) Dacre, CPL jQ, 147 (1977). Calculation of the He-He well depth (0.000908 eV at J.OJ ~).
(70) Ermler, Mulliken, Wahl, JCP 66, JOJl (1977). Molecular orbital correlation diagrams.
(71) Orth, Ginter, JMS 64, 22J (1977). i Jn -7-a JE+, J, Jn -+a JE+; constants for i,L. Perturbations.
g u g u l+
(72) Saxon, Gillen, Liu, PR A 12,, 54J (1977). Ab initio potential curves for Eg states.
(7J) Orth, Brown, Ginter, JMS _22, 5J (1978). Characterization of the 1 n states associated with the UAO's
4p ••• 9p • Wavenumber tables for transitions to A 1 E+ u
and
molecular constants.
. . . f 2~+ 2~+ 2 2 .
(15) Blint, PR A 14, 2055 (1976). Ab i nitio CI c:lculation o ~g' ~u' Ilg' Ilu potential
curves for He 2 •
(16) Maas, Van Asselt, Nowak, Los, Peyerimhoff, Ab initio calculation of X 2 E~ and adjustment based on
Buenker, CP 12, 217 (1976). measurements of the rotational predissociation of 4He 2 + ,
.He 2 + , J He 4He + •
....1__
(17) See ref. (70) of He 2 •
(18) Yagisawa, Sato., Watanabe, PR A 16, 1J52 (1977). Accurate adiabatic potential curves for the ground state
++
and eleven excited states of He 2 •
··ilk

HeAr (7) Smith, Rulis, Scoles, Aziz, Nain, JCP §:]_, 152 Crossed-beam differential scattering cross sections. Inter-
(1977). atomic potential, De= 0.0026 0 eV, re= J.46 .R.
(6) Toennies, Welz, Wolf, CPL 44, 5 (1976). He-H potential from low-energy elastic scattering data;
De = O. OO046 e V, re = J. 7 2 ~.
 (lJ) Stewart, Watson, Dalgarno, JCP £2, 2104 (1976).
(14) Price, MP J], 559 (1977).
(J) Winter, Duncan, Lane, JP B 10, 285 (1977).
HeKr (J) See ref. (7) of HeAr.
HeNe (5) Grace, Johnson, Skofronick, JCP §J_, 2443 (1977).
He Xe (4) See ref. (7) of HeAr.
1HF (46) Guelachvili, QC 12., 150 (1976).
(47) Chan, Rao, ZN~ a, 897 (1977).
(48) Huffaker, JMS £2, 1 (1977).
(49) Pyper, Gerratt, PRS A .J..2.2, 407 (1977).
(10) Ackermann, Rauh, Thorn, JCP £2, 1027 (1976).
(14) Siara, Krause, PR A 11, 1810 (1975).
(15) Drullinger, Hessel, Smith, JCP 66, 5656 (1977).
(16) Smith, Drullinger, Hessel, Cooper, JCP 66,
5667 ( 1977).
(17) Komine, Byer, JCP §.1, 2536 (1977).
HgAr (11) Woodworth, JCP 66, 754 (1977).
Hg Br (14) Wilcomb, Bernstein, JMS 62, 442 (1976).
(15) Djeu, Mazza, CPL 46, 172 (1977).
HgCi. (14) See ref. (14) of HgBr.
HgCs (6) Duren, JP B 10, J467 (1977).
Hartree-Fock calculation of excitation energies, oscillator
strengths, etc ••
Calculation of eigen-energies and widths of the quasi-bound
states (orbiting resonances) of HeH+.
Exact eigenvalues, electronic wavefunctions and their de-
rivatives with respect to r for the lowest twenty states.
De=o.0026 0 ev, re=J.67.R.
Observation of orbiting resonances in He+ Ne scattering.
De= 0.00241 eV, re= J.95 R.
Absolute wavenumber measurements of the 1-0 and 2-0 IR
absorption bands by Fourier spectrometry.
Dipole moment function.
X l~+ RKR potential.
Spin-coupled theory of molecular wave functions; application
to HF (X l~+).
First ionization potentials of the lanthanide monoxides.
Formation and decay of Hg 2 excimers in Hg-Ar mixtures.
Experimental studies of mercury molecules.
A theoretical analysis of mercury molecules.
Optically pumped Hg 2 studies.
Electron-beam excited fluorescence from mixtures of Hg
with high-pressure Xe, Kr, Ar.
D00 = 0.74 4 eV, from the Le Roy-Bernstein modified Birge-
Sponer extrapolation for X 2 ~+.
B-tX in laser-excited fluorescence; 7:=23 ns.
D g= 1. 06 6 eV.
Interpretation of experimental scattering cross sections
with pseudopotential calculations.
705
 706
(16) Hehenberger, Laskowski, Brandas, JCP .Q2, 4559, Weyl's theory applied to predissociation by rotation.
4571 ( 1976): Hehenberger, JCP §.J_, 1710 (1977).
0
Hg! (17) See ref. (14) of HgBr. D0 = 0.387 eV.
HgK ( 6) See ref. (6) of HgCs.
HgKr (1) See ref. ( 11) of HgAr.
HgNa (5) See ref. (6) of HgCs.
HgRb (J) See ref. (6) of HgCs.

HgTl (3) Drummond, Schlie, JCP Q.2, 3454 (1976). Fluorescence spectra of bands in the blue and red regions.
Potential of the Tl-Hg system as a laser.
HgXe (1) Nikiforov, Plimak, Predtechenski, Shcherba, Formation of excited HgXe molecules.
OS(Engl.Transl.) 41, 195 (1976).
(2) See ref. (11) of HgAr.
(33) Eland, Berkowitz, JCP §.1, 5034 (1977). Photoionization mass-spectrometry. I.P.( 2 Il3)= l0.386 eV,
2 2
I.P. ( TI!)= 11. 049 S eV.
(34) Ungemach, Schaefer, Liu, JMS 66, 99 (1977). 1
X r:+, theoretical dipole moment function.
2 2
(10) See ref. (JJ) of 1HI. I.P. ( Il~) = l0.387 eV, I.P. ( n_~_) = 11.0505 eV.
(6) See ref. (9) of Ceo. I.P. = 6.17 eV (electron impact).
(93) Glozman, Zakharenko, Melnikov, Tkachenko, Saturated absorption in r 2 •
Fofanov, OS(Engl.Transl.) 41, 519 (1976).
(94) Koo, Newton, Smith, Andrews, PL A 2§., 449 (1976). Lifetimes of R(l27) hf components in the B-X 11-5 band
(""' 380 ns).
(95) Landsberg, CPL !±J, 102 (1976). Nuclear hf splittings in the B-X system; no evidence for
magnetic octupole coupling.
(96) Callear, Erman, Kurepa, CPL 44, 599 (1976). Lifetime of D 1 r:~, 7: = 15. 5 ns.
(97) Lehmann, SJQE §, 442 (1976). Prediss. in B 3n 0+u: dependence on rotation and vibration.
(98) Yee, JCS FT II .1£, 2113 (1976). B 3n0+u ~ X 1 r:; of 127 I 2 and 12 9I 2 • Rotational distortion
constants. Identification and assignment of laser-excited
molecular transitions.
(99) Dalby, Petty-Sil, Pryce, Tai, CJP .i.2, 1033 (1977). Nonlinear resonant photoionization. New Rydberg lg state
with Te= .5J.562.7.5, we= 241.41, Be= (0.04029).
r 2 (cont'd) (100) Danyluk, King, CP 22, 59 (1977). Two-photon sequential absorption spectrosaopy. Constants
for five excited electronic states (Te=40389 .•• 42600 cm- 1 ).
(101) Vigue, Broyer, Lehmann, JP B 10, L379 (1977). Fluorescence yield of individual hf components in the B
state. A test of hyperfine predissociation.
(102) Williams, Fern~ndez, Rousseau, CPL !±1_, 150 B" 1 n1 u repulsive potential function from resonance Raman
(1977). scattering data.
(lOJ) Tellinghuisen, CPL !±2_, 485 (1977). Reassignment of the "H ~ B" system to the transl tion G~A'.
Vibrational constants.
IBr (25) Child, MP]£, 1495 (1976). Predissociation and photodissociation of IBr. Potential
curves for B and B' 1 new constants for B', Te= 17053, we=
123, wexe = 4.4, B~ = 0.0323.
(26) Clyne, McDermid, JCS FT II .z.g, 2242 (1976). B-X, spectroscopic constants, RKR potentials, Franck-
Condon factors.
(27) Tiemann, Dreyer, CP .fl, 231 (1977). Ground state dipole moment µ 9 1.(v=O) = 0.73 D.
7
(28) Wright, Havey, JCP 68, 864 (1978). B state lifetime 'l"'(v=2,3,4) = 0.54 µs.
ICl. (26) Clyne, McDermid, JCS FT II .z_g, 2242, 2252 See ref. (26) of IBr. B-X laser excitation spectrum,
(1976). first observation of v'=O. New improved constants for B 3n 0 +.
(27) Clyne, McDermid, JCS FT I I 1J., 1094 (1977). B 3n 0+ fluorescence decay lifetimes.
IF (9) See ref. (26) of IBr and ICL. B-X excitation spectra; onset of predissociation in v'=lO
at J'=l2, leading to Di6 2.814 eV.
5
(10) See ref. (27) of rc..e..
In Br (7) Tiemann, Kohler, Hoeft, ZN jg_ a, 6 (1977). Hfs of J=2+-l transition; new determination of the quadru-
pole coupling constants.
K+ (29) Herrmann, Leutwyler, Schumacher, Woste, Two-photon ionization in a molecular beam.
K2' 2
CPL ..2,g, 418 (1977).
(30) Lemont, Giniger, Flynn, JCP 66, 4509 (1977). B 1 nu radiative lifetime 12.2 ns.
KAr, KAr+ (11) Budenholzer, Gislason, Jorgensen, JCP 66, 4832 Potassium ion - rare gas potentials from total cross-
(1977). section measurements.
KHe+
KKr+ } (1) See ref. (11) of KAr, KAr+.
KNe+

707

(15) Miller, Ling, Saxon, Moseley, PR A 11, 2171
(1976).
(16) Ng, Trevor, Mahan, Lee, JCP 66, 446 (1977).
(17) Wadt, JCP 68, 402 (1978).
KrF, KrF+ (13) Hay, Dunning, JCP 66, 1306 (1977).
(14) Krauss, JCP Q2, 1712 (1977).
(15) Burnham, Searles, JCP Q2, 5967 (1977).
(4) Benoit, Kubach, Sidis, Pommier, Barat, JP B 10,
1661 (1977).
KrO (3) Dunning, Hay, JCP 66, 3767 (1977).
KrXe, KrXe + (7) Castex, JCP 66, J854 (1977).
(8) Ng, Tiedemann, Mahan, Lee, JCP 66, 5737 (1977).
(9) Morlais, Rupin, Robin, CR B 284, J85 (1977).
(1) See ref. (11) of KAr, KAr+.
Lao (33) Ackermann, Rauh, Thorn, JCP 2..2, 1027 (1976).
(J4) Gole, Chalek, JCP 2..2, 4384 (1976).
(35) Behere, Sardesai, Prama~a ~' 108 (1977).
. +
Li2' Li 2 , Li 2 -
( 36) Lam, Gallagher, Hessel, JCP 66, .3550 (1977).
(37) Kusch, Hessel, JCP Q2, 586 (1977).
(JS) Konowalow, Olson, JCP Q2, 590 (1977).
(.39) Olson, Konowalow, CP 21, 393; 22, 29 (1977).
(40) Pyper, Gerratt, PRS A ..li2, 407 (1977).
(41) Wine, Melton, CPL 12,, 509 (1977).
(42) Watson, Cerjan, Guberman, Dalgarno, CPL j.Q,
181 (1977).
Li 1H (2J) Pyper, Gerratt, PRS A J..5..2, 407 (1977).
708
Photodissociation cross sections of Kr 2+, 5650 - 6950 R.
Photoionization in a molecular beam, I.P. = 12.87 eV.
Calculated potential curves for low-lying states of Kr 2+ •
Ab ini tio CI calculation of states dissociating to Kr+ F,
Kr++F-, Kr(3p) +F.
Theory, electronic structure.
KrF B state radiative lifetime 9.0 ns.
Charge-exchange processes in collisions between H+ and Kr.
Ab initio CI calculation of low-lying electronic states.
Absorption spectra in the far UV region.
Photoionization study; I.P. = 11.757 eV.
First ionization potentials of the lanthanide monoxides.
Chemiluminescent spectra. ng~ 8.19 eV.
Potential energy curves.
Intensity distribution in the A- X system.
Analysis of A 1 r;~ -X 1 E;. New constants.
Theoretical vibrational energy levels for A 1 E~.
Calculated potential energy curves.
Spin-coupled theoryofmolecular wavefunctions, application
I:;).
to Li 2 (X 1
A 1 r;~ radiative lifetime 18. 0 ns.
Calculated potential energy curves.
Spin-coupled.theory of molecular wavefunctions, application
to LiH ( X lI:+) •
LiHe, LiHe + (10) Gatland, Morrison, Ellis, Thackston, McDaniel, Li+ - He interaction potential.
Alexander, Viehland, Mason, JCP 66, 5121 (1977).
LiK (5) Zmbov, Wu, Ihle, JCP §1, 4603 (1977). Mass-spectrometric study, n00 = o.81 eV, I.P. = 4.69 eV.
LiNa, LiNa + (10) See ref. (5) of LiK. D00 = 0.90 eV, I.P. = 4.94 eV (constants for LiNa).
LuF (4) Ath6nour, F~menias, Effantin, JP B 2, 2893 Constants for X,A,B,E,F.
( 1976).
(5) Effantin, Wannous, d•Incan, CJP 2..2, 64 (1977). Classification of bands belonging to eight systems in the
region 3000 - 6500 R.
(6) Effantin, Bacis, d'Incan, PR A 15., 1053 (1977). 1 1
B n ~ X t1 hyperfine structure.

Luo (11) See ref. (9) of Ceo.
(12) Scheingraber, Vidal, JCP 66, 3694 (1977).
(13) Stevens, Krauss, JCP §1, 1977 {1977).
(14) Miller, Ault, Andrews, JCP §1, 2478 (1977).
(1) See ref. (13) of Mg 2 •
(28) Evans, Mackie, JMS .§2, 169 (1977).
(29) Ikeda, Wong, Harris, Field, JMS 68, 452 (1977).
MgSr (1) Miller, Ault, Andrews, JCP §1, 2478 (1977).
MnO (14) Pinchemel, Schamps, CP 18, 481 (1976).
(15) Ferrante, Wilkerson, Graham, Waltner, JCP §1,
5904 (1977).
(200) Becker, Engles, Tatarczyk, ZN J1 a, 673 (1976).
(201) Dehmer, Dill, JCP .QS., 5327 (1976).
(202) Hillier, Kendrick, JESRP ~' 239 (1976).
.(20J) Banna, Shirley, JESRP §, 255 (1976).
(204) Kotlikov, OS(Engl.Transl.) 41, 434 (1976).
(204a)Hamnett, Stoll, Brion, JESRP §, 367 (1976).
I.P. = 6.79 eV (electron impact).
A-X discrete and continuous Franck-Condon factors.
Electronic structure of the ground and excited states of
Mg2 and Mg 2+ •
Absorption in solid argon and krypton, resolved vibrational
structure 22300 - 23000 and 25000 - 28000 cm- 1 •
Triplet-triplet transitions and intensities.
Laser-induced photoluminescence spectra; B-+X, B-+-A.
Analysis of a Jn irv X 1 E+ perturbations.
Absorption in solid argon and krypton; vibrational
structure 16000 - 17100 cm-1 •
Electronic structure.
ESR sp. at 4 K; 6t+ ground state.
c .3nu~ B 3ng(v" f 13)
K-shell spectrum of N2 •
CI calc. of satellite peaks in core and valence PE spectra •
Photoelectron spectrum at 1J2.J eV.
Hanle effect on a rotational level of B 3rrg. j .50 eV.
PE branching ratios, partial ionization cross sections 18-

709

N
2
(cont'd) (205) Wells, Borst, Zipf, PR A 14, 695 (1976).
(206) Ermler, Mulliken, Wahl, JCP 66, JOJl (1977).
(207) Brennen, Shuman, JCP 66, 4248 (1977).
{208) Chutjian, Ajello, JCP 66, 4544 (1977).
(209) Hummer, Burns, JCP £Z, 4062 {1977)~
(210) Gurtler, Saile, Koch, CPL 48, 245 (1977).
(211) Rescigno, Langhoff, CPL 2!, 65 (1977).
(212) Becker. Engels, Tatarczyk, CPL ..21, 111 (1977).
(213) Plummer, Gustafsson, Gudat, Eastman, PR A 1.2,
2339 ( 1977).
(214) Rastogi, Lowndes, JP B 10, 495 (1977).
(215) Samson, Haddad, Gardner, JP B 10, 1749 (1977).
(216) Kay, Van der Leeuw, Van der Wiel, JP B 10, 2513
(1977).
(217) Woodruff, Marr, PRS A~' 87 (1977).
(218) Yoshino, Tanaka, JMS 66, 219 {1977).
N + (75) Erman, PS 14, 51 (1976).
2 9
{76) Bouchoux, Goure, CJP 2.2, 1492 (1977) .•
(77) See ref. (206) of N 2 •
(78) Lee, JP B 10, 30JJ (1977).
(79) Dick, Benesch, Crosswhite, Tilford, Gottscho,
Field, JMS .£2, 95 (1978).
N ++ (7) Stockdale, JCP 66, 1792 (1977).
2
710
Translational spectroscopy of metastable fragments produced
by dissociative excitation.
Molecular orbital correlation diagrams.
Spectrum of the Lewis-Rayleigh nitrogen afterglow.
Threshold photoelectron spectrum, 15.5- 19.0 eV (800 - 650 ~).
Lifetimes of x 1 r:~ (2J.l ns) and y 1 ng (19.9 ns).
High-resolution absorption spectrum, 990 - 440 R. Rydberg-
series leading to X,A,B,C of N2+. Abs. cross sections.
K-shell photoionization.
C Jnu radiative lifetimes, 't'(v==O) == 36.6 ns, ci;:(v=4) = J6.5 ns.
Partial photoionization cross sections, 18 - 40 eV.
Collision-induced translational-rotational far-infrared
.
absorption; quadrupole moment of N 2' IQ I = 1. 21 x 10 -26 esu cm 2 •
Total and partial photoionization cross sections from
threshold to 100 R.
Energy loss spectra and absolute oscillator strengths for
shape resonances near the nitrogen K edge.
Photoelectron spectrum; partial cross sections as a
function of energy from 16 to 40 eV.
High-resolution VUV absorption spectrum; homogeneous per-
turbation c 4• 1 r:+(v=O)rvb•
u
1 r:+(v=l).
u
Predissociation of C 2 L~; lifetimes 't"'(v=2)= 78. ns,
T(v~J)~4to5ns.
B 2 E~..:; X 2 r:;a perturbation B(v=l)N A(v=ll).
Cross sections for the production of B~ X fluorescence by
photoionization.
High-resolution study of B-+ X bands.
High kinetic energy N+ ions from decay of doubly ionized N2 •
 (11) King, Mcconkey, Read, JP B 10, L541 (1977). Negative-ion resonances associated with K-shell-excited
states of N2 •
(12) Veillette, Marchand, CJP .2..2, 21)4 (1977). Negative ion resonances by electron impact in the 10.5-
15.5 eV region.
(41) Lam, Gallagher,Hessel, JCP 66, J550 (1977). Intensity distribution in the A- X system.
(42) Woerdman, CPL 2.Q, 41 (1977). Two-photon absorption.
(4J) See ref. (29) of K2 , K2+ •
(44) Woerdman, CPL j], 219 (1978). Experimental Franck-Condon factors for the A-X system
from a comparative study of the saturation behaviour of
Na 2 and Na transitions.
NaAr (6) Smalley, Auerbach, Fitch, Levy, Wharton, Analysis of the A-X fluorescence excitation spectrum;
0
JCP 66, J778 ( 1977) • vibrational and rotational constants. De= 0.0048 2 eV,
2
re (x r:+) = 4. 991 .R.
(7) Saxon, Olson, Liu, JCP §1, 2692 (1977). Ab initio calculations for X 2 E, A 2n, B 2 E.
NaI, NaI+ (22) Anderson, Wilson, Ross, CPL 48, 284 (1977). Photodissociation in a molecular beam using linearly
polarized light.
NaK (9) Zmbov, Wu, Ihle, JCP §1, 460J (1977). Mass-spectrome~ric study, Di= 0.63 eV, I.P. = 4.57 eV.
NaNe (4) Ahmad-Bitar, Lapatovich, Pritchard, Renhorn, A-X laser excitation spectrum; spectroscopic constants.
0 2 + 0
PRL J2., 1657 (1977). De = 0.0010 0 ev, re(X E ) = 5.2 9 A.
NdO (6) See ref. ( 9) of Ceo. I.P. = 4.97 eV (electron impact).
NeF (2) Winter, Bender, Rescigno, JCP §1_, Jl22 (1977). Potential· energy curves and predicted fluorescence.
NeKr, NeKr++ ( .5) Castex, JCP 66, J854 (1977). NeXe, absorption spectra in the far UV region.
NeXe, NeXe
1 Calculated potential energy curves and spectroscopic con-
N H (56) Banerjee, Grein, JCP 66, 1054, 2.589 (1977).
stants for b 1 r:+, d 1 r:+.
(57) Hsu, Smith, JCP 66, 18J5 (1977). Lifetime of d 1 r:+(V=0) 46 ns (NH) and 62 ns (ND).
(17) See ref. (57) of N1H.
(J) Moskovits, Hulse, JCP 66, J988 (1977). Matrix spectra in the visible and UV regions.
(4) Anderson, JCP 66, 5108 (1977). Theory of UV spectra of Ni 2 •

711

NO (210) Brzozowski, Erman, Lyyra, PS 14, 290 (1976).
(211) Amiot, JP B 10, LJ17 (1977).
(212) Suleumar, Bottcher, JP B 10, L335 (1977).
(213) Freedman, CJP i,2, 1J87 (1977).
(214) Goodman, Brus, JCP §2, 933 (1977).
(215) Lee, JCP §1, 3998 (1977).
(216) Mohlmann, de Heer, CPL .!±2., 588 (1977).
(217) Patel, Kerl, Burkhardt, PRL ~' 1204 (1977).
(218) Takezawa, JMS 66, 121 (1977).
(219) Kristiansen, JMS 66, 177 (1977).
(220) Dale, Johns, McKellar, Riggin, JMS §2_, 440
(1977).
(221) Amiot, Bacis, Guelachvili, CJP ~' 251 (1978).
(222) Frueholz, Rianda, Kuppermann, JCP 68, 775 (1978).
(45) Shimauchi, SL £2,, l (1976).
(46) Natalis, Delwiche, Collin, Caprace, Praet,
CPL .!±2., 177 (1977).
(199) Galkin, OS(Engl.Transl.) 42, 486 (1977).
(200) Guberman, JCP §1., 1125 (1977).
(201) Goodman, Brus, JCP §.1, 1482 (1977).
712
Lifetimes for A,B,B',C,D,F. Predissociation rates and per-
turbations.
Spectral coincidences between CO laser lines and absorption
lines of NO.
Interpretation of experimental results on preionization and
predissociation via high-lying molecular states.
C 2 n(v=O) +- X 2 n(v=O) two-photon absorption spectrum.
The A 2E+(Jsff) Rydberg state in solid rare gases.
Energy loss spectrum.
Radiative lifetimes (6.4 and 5.7 7 µs for v=l and 2, resp.)
3
and excitation energy (6.4 eV for v'=2) of b 4 t-.
Opto-acoustic high-resolution spectroscopy of the V=2<:- 1
vibration-rotation transition.
Rydberg series converging to b Jn, A 1 n, w J~ of NO+.
On the determination of molecular parameters for NO (X 2 rr).
Term values for v=O.
High-resolution laser magnetic resonance and infrared-
radiofrequency double resonance spectroscopy of NO and its
isotopes near 5.4 µm.
IR study of the X 2n v=0,1,2 levels of 14N16 o. Preliminary
results for v=O,l of 14N1 7o, 14N18 o, l5N 16 o.
a 4 rr<E-x 2n and b4 t-<E-X 2 n by electron impact spectroscopy.
Excitation energies of a 4 rr(v=4) 5.22 eV and of b4 t-(v=0)
5.70 eV.
NO+ A- X Franck-Condon factors.
Ne I photoelectron sp. of NO; NO+ ground state levels
observed to v=J2.
The b<E-X 0-1 band in the absorption spectrum of the earth's
atmosphere.
Accurate ab initio potential curve for X Jr;~._
Electronic _spectroscopy and dynamics of the A, A', and c
states in van der Waals solids.
o2 (cont'd) (202) Katayama, Ogawa, Ogawa, Tanaka, JCP 22_, 2132
(1977).
(203) Lee, JCP .21., 3998 (1977).
(204) Saxon, Liu, JCP 22_, 5432 (1977).
(205) Lee, Slanger, Black, Sharpless, JCP .21., 5602
(1977).
0 +
2
(53) Albritton, Schmeltekopf, Harrop, Zare, Czarny,
JMS .21., 157 (1977).
(54) Carrington, Roberts, Sarre, MP J!±., 291 (1977).
(55) Lambert, Goure, Albritton, CJP ..22, 1842 (1977).
(56) Samson, Gardner, JCP .21., 755 (1977).
(57) Banna, Shirley, JESRP ~' 255 (1976).
(127) Destombes, Marliere, Rohart, JMS 22_, 93 (1977).
(128) German, JCP 22_, 5411 (1977).
(129) Palmer, JCP .21., 5413 (1977).
p2 (28) Chong, Takahata, JESRP 10, 137 (1977).
(29) Malicet, Brion, Daumont, CR C 284, 175 (1977).
(30) Brion, Malicet, Daumont, CR c 284, 647 (1977).
(31) Effantin, Bacis, Amiot, Verges, JMS ~' 79 (1978). High-resolution Fourier spectrometry of P 2 infrared emis-
(1) Cederbaum, Domcke, Niessen, JP B 10, 2963 (1977).
(8) Bondybey, English, JCP §.1_, 3405 (1977).
VUV absorption spectra from b 1 E+g and a 1
~ g·
Energy loss spectrum.
Ab initio CI study of the valence states.
Quantum yields for the production of o( 1D) by photodis-
sociation of o2 at 1160 - 1770 ~.
Analysis of the b 4 E; ~ a 4 nu 1st negative band system.
Laser-induced predissociation spectrum of o2+, b~a. The
b state predissociates via b 14 ng.
Comparison of experimental and theoretical line intensities
in the b~ a 0-0 band.
Vibrational energy levels and dissociation energy of X 2 ng.
Photoelectron spectroscopy at 132.3 eV.
Molecular constants for X 2 n and A 2 E from the analysis of
the A-doubling hfs, the pure rotational sp., and the A- X
0-0 band.
Predissociation and tunneling in the A 2E·+ state.
Predissociation and tunneling in the A 2 E+ state.
Theoretical calculations of photoelectron spectra.
b 3n ~a 3E+; perturbations in b(v=6,7) are attributed to
g 5 + u
a new E state.
A ng ~ ~ E;, new data.
1 1
sion. Analysis of a new system A 1 ng ~A' 1 E~. Constants for
A1 1 Te= 28521. 79, we= 608. 095, wexe = 2. 357, wey e = O. 0016,
Be= 0.258731, fXe = 0.001396.
Theoretical calculation of I.P. = 0.30 eV.
Emission and laser excitation spectra in rare gas solids.
Reassignment of gas phase data.
713

PC! (J) Coxon, Wickramaaratchi, JMS 68, 372 (1977).
(16) Di Stefano, Lenzi, Margani, Xuan, JCP 68, 959
(1978).
(lJ) Atkins, Timms, SA A JJ., 853 (1977).
(14) Bulgin, Dyke, Morris, JCS FT II lJ, 983 (1977).
(15) Chong, Takahata, JESRP 10, 137 (1977).
PtA.l ? (1) Scullman, Cederbalk, JP B 10, J659 (1977).
PtO (6) Jansson, Scullman, JMS 61, 299 (1976).
Rb 2 , Rb 2+ (21) Gupta, Happer, Wagner, Wennmyr, JCP 68, 799
(1978).
RhC (7) Shadrin, Zhirnov, OS(Engl. Transl.) J§., J67
( 197 5).
s2 (52) Leone, Kosnik, APL .J..Q, J46 (1977).
SbN (J) Jenouvrier, Daumont, Pascat, CJP ..2§., JO (1978).
Seo (2J) Rao, Rao, Rao, Physica C 81, 392 (1976).
SiC (4) Graeffe, Juslen, Karras, JP B 10, J219 (1977).
SiO (52) Chong, Takahata, JESRP 10, 137 (1977).
SiS (16) Atkins, Timms, SA A J.J, 853 (1977).
(J) Teichman, Epting, Nixon, JCP 68, JJ6 (1978).
(1) Miller, Ault, Andrews, JCP QJ_, 2478 (1977).
714
Visible and near infrared emission excited in the reaction
Ar(JP 2 , 0 )+Pct • Vibrational analyses of A Jn -+X JL- and
3
b lL+ ~ X 3L-. Vibrational constants for all three states
(p35ct and p37ct).
b-+X observed in the VUV photolysis of PH 1 To= 14340 cm- 1 •
3
Matrix IR spectrum of PN.
He I photoelectron spectrum; X 2 L+, A 2 n, B 2 r;+ of PN+.
Theoretical calculations of photoelectron spectra.
Unclassified emission bands 16700 - 18300 cm- 1 •
Optical absorption spectra in rare gas matrices.
Absorption studies in the visible and near visible regions.
C- X Franck-Condon factors.
Laser action on the B- X transition.
Electronic spectrum 3300 - 4000 R. Analysis of the A 1 n -+
X lL+ system of four isotopes. Upper state strongly per-
turbed. Constants for X lr;+ of 121 sb 14N1 we= 864.80, wexe =
4.75, Be= 0.3988, cXe= 0.0026, re= 1.835 • The spectrum
3
previously attributed to SbN is due to Sb 2 •
A- X and B- X Franck-Condon factors.
Si K~ X-ray emission spectrum from Sic.
Theoretical calculations of photoelectron spectra.
Matrix IR spectrum.
Raman sp. in solid argon; we~ 188, '°exe ~ 0.53.
Absorption in solid argon and krypton, vibrational struc-
ture from 1J400 to 14600 cm- 1 •
SrO (36) Hocking, Pearson, Creswell, Winnewisser, Millimeter wave spectrum.
JCP 68, 1128 (1978).
Tao ( 8) See ref. (9) of Ceo. I.P. 7.92 eV (electron impact).
TbO (6) See ref. (9) of Ceo. I.P. 5.62 eV (electron impact).
,.
TiO (64) Kovacs, El Agrab, APH 42, 67 (1977). On the anomalous triplet splitting of C 36r.
(65) Steele, Linton, JMS 2_2, 66 (1978). Flame spectroscopy; C-X radiative lifetimes and oscillator
strengths, 'C= 37, 29, 28 ns for v'=O, 1, 2, respectively.
TmO (6) See ref. (9) of Ceo. I.P. = 6.44 eV (electron impact).

U2 (1) Gorokhov, Emel'yanov, Khodeev, HT(USSR) 12, Mass-spectroscopic investigation; D00 = 2.2 eV.
5
1156 ( 1974).
UN (2) Green, Reedy, JCP Q.2, 2921 ( 1976) • Identification in argon matrices.

v2 (2) Ford, Huber, KlotzbGcher, Kundig, Moskovits, Matrix study.

Oz in, JCP 66, 524 (1977).
Xe 2+ (7) Wadt, JCP 68, 402 (1978). Calculated potential curves for low-lying states.
XeF (18) Smith, Kobrinsky, JMS 2_2, 1 (1978). B~X; Te= 28813.9, W~= 308.2, W~X~= 1.43, W~= 225.l'
JJ~X~ = 10.6.

YbC.l (J) Lee, Zare, JMS 64, 233 (1977). Chemiluminescent spectrum, Al'A 2 ,B-')X. Vibrational const ••
YbF (4) See ref. (3) of YbC.l. Vibr. constants for A2 -+X; A1 and B strongly perturbed.
Yb 1H, Yb2tt (8) Van Zee, Seely, Weltner, JCP 2J.., 861 (1977). ESR and optical spectroscopy in argon matrices at 4 K.
YbO (6) See ref. (9) of Ceo. I.P. = 6.55 eV (electron impact).
YF, YF+ (8) Shenyavskaya, Gurvich, JMS 68, 41 (1977). Rotational analysis of b 3~ _,,a 36 of YF. New rotational
constants.
Y1H, Y2tt (1) Bernard, Bacis, CJP ..2j, 1322 (1977). Analysis of singlet and triplet systems of YH and YD.
YO (21) Chalek, Gole, JCP Q.2, 2845 (1976). Chemiluminescence spectrum. Analysis of A12 6-+ X 2 ~+,
Te= { 14870.4
14531.2
I{794.9 tt
We= 794.0' we=
862 0
• ·
zn 2 (2) Hay, Dunning, Raffenetti, JCP §2, 2679 (1976). Ab initio calculation of electronic states dissociating
to 1 s + 1 s , 3p, 1 P.

715

zn 2 (cont'd) (J) Ault, Andrews, JMS Q.2, 102 (1977).
zn 1H, zn 2H (10) Dufayard, Nedelec, JP(Paris) J§., 449 (1977).
ZrN (J) Kabankova, Moskvitina, Kuzyakov, VMUK 16(5),
620 (1975). For engl. transl. see MUCB JQ(5),
80 ( 1975).
(4) Bates, Dunn, CJP 21, 1216 (1976).
ZrO (J5) Phillips, Davis, ApJ 206, 632 (1976).
(J6) Phillips, Davis, ApJ(Suppl.) .J..g_(J), 537 (1976).
(J7) Lauchlan, Brom, Broida, JCP Q.2, 2672 (1976).
716
UV absorption in solid argon and krypton; vibrational
structure J8JOO - 40000 cm- 1 •
Lifetimes ( 1:1 75 ns), A-doubling, hfs in A 2n.
Electronic absorption spectrum.
The yellow and violet emission systems.
A new 1 E-+ 1 E system of ZrO; v 00 = 17050.47, Be)= o.40479
[observed in matrix absorption (19) at 17025 cm-1 , see c
on p. 687].
B-+ X system; 18 additional bands, improved upper and lower
state constants.
Laser photoluminescence in neon at 4 K. Tentative identi-
fication of two new infrared transitions, B-7> A and b' Jn -7>
a JA.