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13C NMR

This document discusses 13C-NMR spectroscopy. It explains that in proton-decoupled 13C-NMR, samples are irradiated with two radiofrequencies: one to excite all 13C nuclei and another to cause rapid transitions between proton spin states. This decouples 1H-13C spin-spin interactions. Typical chemical shift ranges are provided for different carbon types. An example problem is given to determine the number of 13C resonances expected from a given compound. Additional topics covered include DEPT spectroscopy and two-dimensional NMR techniques like COSY used to identify coupled protons. Medical applications of NMR like MRI are also mentioned.

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38 views

13C NMR

This document discusses 13C-NMR spectroscopy. It explains that in proton-decoupled 13C-NMR, samples are irradiated with two radiofrequencies: one to excite all 13C nuclei and another to cause rapid transitions between proton spin states. This decouples 1H-13C spin-spin interactions. Typical chemical shift ranges are provided for different carbon types. An example problem is given to determine the number of 13C resonances expected from a given compound. Additional topics covered include DEPT spectroscopy and two-dimensional NMR techniques like COSY used to identify coupled protons. Medical applications of NMR like MRI are also mentioned.

Uploaded by

nusportsfan1
Copyright
© © All Rights Reserved
Available Formats
Download as PDF, TXT or read online on Scribd
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13

C-NMR Spectroscopy
In a proton-decoupled mode, a sample is
irradiated with two different radiofrequencies,
one to excite all
13
C nuclei.
a second broad spectrum of frequencies to cause all
protons in the molecule to undergo rapid transitions
between their nuclear spin states.
On the time scale of a
13
C-NMR spectrum, each
proton is in an average or effectively constant
nuclear spin state, with the result that
1
H-
13
C spin-
spin interactions are not observed; they are
decoupled.
13
C-NMR Spectroscopy
Chemical Shift -
13
C-NMR
13
C-NMR chemical shifts of representative groups
Chemical Shift -
13
C-NMR
RCH
3
RCH
2
R
R
3
CH
R
2
C=CR
2
RC CR
R
3
COR
RCH
2
Cl
RCH
2
Br
RCH
2
I
R
3
COH
R C
RCNR
2
O
RCH, RCR
O O
RCCOH
O
RCOR
O
0-40
110-160
165 - 180
160 - 180
165 - 185
180 - 215
40-80
40-80
35-80
25-65
65-85
100-150
20-60
15-55
10-40
Type of
Carbon
Chemical
Shift ()
Chemical
Shift ()
Type of
Carbon
O
O
How many
13
C resonances are expected from this
compound?
A. 5
B. 7
C. 8
D. 10
E. 11
C
9
H
10
O
2
Has a C=O; 166 ppm; ester
Presence of benzene ring; 4 signals at 130 ppm
Substracting(C6H5 and CO2) from Mol form leaves
C2H5
Signal at 60 is next to a Oxygen
13C NMR Problems
1. There are three isomeric pentanes with a molecular formula of C5H12.
A. Draw structural formulas for each of these compounds, name them, and
determine the number of unique carbon atoms in each.
13.20: DistortionlessEnhancement by Polarization Transfer (DEPT)
Helps distinguish CH3, CH2 and CH
Quaternary Carbons not shown
13.21 : Two Dimensional NMR (for complex molecules like proteins and nucleic acids)
1H-1H correlations identifies which protons are coupled (COSY)
Mountain spectra; Stack plots
Contour Plot; has dots
NMR used in medicine is Magnetic Resonance Imaging (MRI)
Helps physicians examine internal organs
Without resorting to surgery or use of X-rays
Most signals in MRI scans originates from H2O
The difference in the water is bound to a healthy tissue
And diseased tissue produces variation in signal
Gadolium, a paramagnetic metal is used as a contrast
Agent in MRI
MRI of normal brain
MRI of brain with tumor (purple)
Surrounded by Fluid filled damaged
Tissue (red)

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