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40 |
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3. Chemical shifts - Positions of the resonance signals in the
spectra
For the prediction of the NMR spectrum of a given molecule it is necessary
to know the number of resonance signals. But it is obviously also
necessary to know the position of these signals in the spectrum, that is,
their chemical shift. Just as in case of the number of signals,
it is also possible to make predictions about their position:
Equivalent protons give rise - due to their identical electronic
environment - to
chemical shifts.
If two protons have similar electronical environments, then their
chemical shifts in an NMR spectrum will be
.
For example, the signals of the protons in the two methyl groups
-CH2-CH3 and
>CH-CH3 will show
chemical shifts.
The analysis of a large number of spectra showed that the signals of
aliphatic methyl protons typically have a chemical shift
d = 0,6 ... 1,9 ppm.
In contrast to this leads the completely different electronic environment
of a carbonyl group -CHO als to a different
value for the typical chemical shift. In that case
d = 9,l ... l0 ppm for the proton of the
aldehyde group.
An overview of the typical chemical shifts for the proton of important
chemical groups is posted
here.
In the following table we listed the typical values of the protons in
a selection of chemical groups, using different scales. Fill in the
blanks!
| Protons |
dn [Hz] |
d [ppm] |
| R-CH2-R |
468 |
|
| C6H5-H |
|
7,3 |
| R-CH2-Cl |
|
3,7 |
(Spectrometer frequency n0
= 360 MHz)
Check your answers here!
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