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Chemial Shift
The referene point of an NMR spetrum is set at the point
where TMS resonates
CH3
H3C Si CH3
CH3
tetramethylsilane (TMS)
Chemial shift is a measure of how far a signal relative to the
referene signal
The ommon sale for hemial shift is dened as:
distane downeld from TMS (Hz )
δ = operating
frequeny of the spetrometer (MHz )
Dr. Yuming Zhao
Leture Notes for Chem 2401
Chemial Shift
Dr. Yuming Zhao
Leture Notes for Chem 2401
Chemial Shift
Chemial shift is independent of the spetrometer's operating
frequeny
Dr. Yuming Zhao
Leture Notes for Chem 2401
1H
NMR Spetra
Dr. Yuming Zhao
Leture Notes for Chem 2401
Chemial Shifts Of Funtional Groups
Eletron-withdrawal auses NMR signal to appear at higher
frequeny (i.e. larger δ value)
Charateristi hemial shift values for ommon organi
funtional groups
Dr. Yuming Zhao
Leture Notes for Chem 2401
Table Of Chemial Shifts
Dr. Yuming Zhao
Leture Notes for Chem 2401
Diamagneti Anisotropy
π -Eletrons are less tightly held by the nuleus than
σ -eletrons; therefore, they are more free to move in response
to an applied magneti eld
Hydrogens bonded to π -bonds (e.g. benzene, alkenes) usually
appear at the downeld region of the spetrum
Dr. Yuming Zhao
Leture Notes for Chem 2401
Integration Line
The area under eah signal is proportional to the number of
protons that give rise to that signal
The height of eah integration step is proportional to the area
under a spei signal
The integration tells the relative number of protons, not the
absolute number
Dr. Yuming Zhao
Leture Notes for Chem 2401
Integration Line
Dr. Yuming Zhao
Leture Notes for Chem 2401
Splitting of NMR Signals
An 1 H NMR signal is split into N + 1 peaks, where N is the
number of equivalent protons bonded to adjaent arbons
Coupled protons split eah other's signal
The number of peaks in a signal is alled the multipliity of
the signal
The splitting of signals, aused by spin-spin oupling, when
dierent kinds of protons are lose to one another
Dr. Yuming Zhao
Leture Notes for Chem 2401
N + 1 Rule
Dr. Yuming Zhao
Leture Notes for Chem 2401
Multipliity Of NMR Signals
Dr. Yuming Zhao
Leture Notes for Chem 2401
Spin-Spin Coupling
Splitting is observed if the protons oupled to one another are
separated by no more than three σ bonds
Long-range oupling may our between protons that are
separated by more than three bonds and one of the bonds is a
double or triple bond
Dr. Yuming Zhao
Leture Notes for Chem 2401
An Example Of Spin-Spin Coupling
Dr. Yuming Zhao
Leture Notes for Chem 2401
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