Good Afternoon

13C NMR
Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
13C are difficult than 1H NMR

1. 12C is not detectable (99%)

2. Magnetic resonance of 13C is much weaker (1%)

Dr. Dilip Vasava(Msc; B.Ed; Ph.D)

❑ 13C range 0-200ppm
❑ Magnetically spectrum non equivalent C gives single
unsplit peak

❑ Symmetry renders splitting C2=C6, C3=C5

❑ In 13C-H spectra Split by protons bonded directly to C

and n+1 rule followed

❑ Magnetically non equivalent two adjacent C split

each other but splitting is not observed. (13C=1%)
Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
1H NMR

13C-1H NMR

13C NMR

Dr. Dilip Vasava(Msc; B.Ed; Ph.D)

❑ Most 13C are surrounded by 12C so which
having no spin so, not give rise spin-spin splitting
❑ Chemical shift range of C is much larger
than 1H
❑ Directly bonded H are more strongly coupled
(125-200Hz)
❑ Signal for each C is split by directly bonded to
H and followed n+1 rule
❑ TMS=0
❑ C2=C6 and C3=C5 are identical due to symmetry
❑ Effect of substituent is not confined to only
nearest nuclei as 1H
Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
❑ Broad band H decoupling (BBD)

❖ 13C-13C coupling not observed due to low

natural abundance
❖ 13C-13C is rare and peaks are very small but
❖ 13C-1H coupling is very strong so complexity increase.
❖ 13C-1H coupling is removed : BBD
❖ Along with C spectrum, irritated with band of radio
frequency radiation that excites to all H
❖ So Each H flip rapidly between two states
(H is not having sufficient time to coupled with 13C
❖ So Magnetic field orientation become =0
❖ Gives singlet Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
OFF- RESONANCE DECOUPLING

▪ Right no of signals(
singlet) at proper d value
BUT
▪ Valuable information lost
in process
▪ With this spectrum is
simplified and lost data is
retained.
▪ 13C split only by H
directly bonded to C
Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
▪ Multiplates become
narrow and not removed
altogether and provide
information.
▪ So it give 13C-1H one bond
coupling with good
magnitude
▪ Two bond coupling
13C-C-1H not observed
Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
13C NMR spectrum of compound run twice

1.The singlets in the broad band

proton decoupled spectrum
indicate the no. of
non-equivalent C atoms and
their chemical shifts

2.The multiplicities of the peaks

in off- resonance decoupled
spectrum indicate no. of
H bonded to each C Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
Chemical shift
1. Deshielding effect of electronegative moiety (Strong αβ
2. Small shielding effect of electronegative moiety (γ)

3. Hybridization of C ( SP3=0-60, Sp2=80-200, SP= 80-140

4. α β γ on C

δi=-2.6 + 9.1nα + 9.4nβ -2.5nγ + 0.3nδ

Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
Distortionless Enhanced Polarization Transfer (DEPT)

Coupling between close lying H(homonuclear correlation)

Connected C and H ( Heteronuclear correlation)

Dr. Dilip Vasava(Msc; B.Ed; Ph.D)

DEPT Spectroscopy Overview
Distortionless
Enhancement
by Polarization
Transfer
Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
DEPT is used for distinguishing between a CH3 group, a CH2 group, and a
CH group. The proton pulse is set at 45°, 90°, or 135° in the three separate
experiments. The different pulses depend on the number of protons
attached to a carbon atom.
DEPT (Distortionless Enhancement by Polarization Transfer) allows us to
determine how many hydrogens are bound to each carbon.
DEPT makes use of the generation and manipulation of multiple
quantum coherences to differentiate between the different types of
13C signals.
Quaternary carbons are missing from DEPT spectra because the
large one-bond heteronuclear J coupling (JXH) is used for
polarization transfer.
Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
DEPT 135 – yields spectra with CH and CH3
signals in opposite phase to CH2 signals.

DEPT 90 – yields spectra with only CH signals.

DEPT 45 - yields spectra with positive CH, CH2,

and CH3 signals (all protonated carbons).
Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
Carbonyl Carbons
Carbonyl carbons absorb in the range of -150-220 ppm downfield
from TMS.

Dr. Dilip Vasava(Msc; B.Ed; Ph.D)

Dr. Dilip Vasava(Msc; B.Ed; Ph.D)
Thanks
Dr. Dilip Vasava(Msc; B.Ed; Ph.D)