Nuclear Magnetic Resonance

(NMR) Spectroscopy (2)

 ALKENA DAN AROMATIS
Coupling constant J
Magnitude of Some Typical Coupling Constants
(J)
 PERHITUNGAN COUPLING CONSTANT 2

Chemical Shift:
d = 3.4084 ppm (from center peak of triplet)
d = (3.4340+3.3827)/2 = 3.4384 ppm (from outside
peaks)

Report as d = 3.44 ppm

1 3
Coupling Constant:
J = (3.4340-3.4084)x270 = 6.912 Hz (distance between
peak 1 and 2)
J = (3.4084-3.3827)x270 = 6.939 Hz (distance between
peak 2 and 3)

J (average) = 6.9255 Hz

In a different way:
J = (3.4340-3.3827)/2x270 = 6.9255 Hz

Report as J = 6.9 Hz

 3.44 (t, J=6.9 Hz)

AROMATICS
C10 H14 O
C6H5OBr
 Carbon-13 NMR
• ~1.08% of C atoms are the 13C isotope.
• Do not usually see C-C spin-spin interactions.
• Can see coupling between C and attached H’s.
• Magnetic moment m of 13C is low.
• Resonances of 13C nuclei are ~6000 fold weaker than 1H
resonances.
• Therefore most useful information is chemical shift.
• Covers a range of 0-200ppm.
• Influence chemical shift in proton spectra also influence
in carbon spectra
 Proton Decoupled
• Proton coupling can
provide information about O H2
C
number of protons. Undecoupled H2C O CH3

• Often useful to decouple

protons.
• Irradiate sample with
broad spectrum of Decoupled from protons
frequencies. A
b
so
rb
a
n
ce
3,5 TMS
2,6
1 O
• Substituents on C can
6 2 H2
C C
5 3 O CH2 CH3
enhance of reduce signal. O
C 1
4 4

• Protons enhance the 13C

, ppm
signal. 180 160 140 120 100 80 60 40 20 0
Pergeseran kimia atom Karbon
Spektra NMR Carbon 4-bromoacetofenon
 DEPT NMR
DEPT (Distortionless Enhancement by Polarization Transfer)
Fungsi: membedakan CH3, CH2, CH dan –C-
C NMR

DEPT 90

DEPT 135
TUGAS
1
C6H6BrN

1 1 1 1 2
2

C7H7NO2

2
3

C8H12O2
4

BM =
102
5

BM =
175
6
C5H10O3

2 3 3 2
7

BM =
174

2 2 3 1 6
DEPT 90

DEPT 135

All carbon
8

BM = 121
DEPT 90

DEPT 135

All carbon