NMR SPECTROSCOPY
PRESENTED BY: BISMA KHAN
CONTENTS
Introduction to NMR
History
Comparison of 1D NMR with 2D NMR
Problems with 1D NMR
An overview about 2D NMR
Types of 2D NMR
COSEY
NOSEY
Applications of NMR
HISTORY
INTRODUCTION TO NMR
NMR spectroscopy abbreviated as Nuclear Magnetic Resonance
Spectroscopy, which means spectroscopy on the basis of
resonance of nucleus that happens because of magnetic field
applied over it
It is defined as the study of molecules by recording the
interaction of radio frequency electromagnetic radiations with
the nuclei of molecules placed in a strong magnetic field
COMPARISON OF 1D NMR WITH 2D NMR
A conventional 1H NMR has a frequency axis and a intensity axis, 2D
NMR has two frequency and intensity axis
A normal NMR spectrum is obtained by plotting amplitude against
one frequency dimension (F1)
In 2D NMR, the spectrum is obtained by plotting amplitude against
two frequency dimension (F1 and F2). Every peak in 2D NMR
spectrum has two frequency co-ordinates which corresponds to F1
and F2
WHY 2D NMR ?
Improves dissolution and dispersion
Determine structure (specially for molecules complicated
for 1D NMR)
Involves series of 1D NMR experiments
Connectivity between nuclei (homo or hetero) through
chemical bond
PROBLEMS WITH 1D NMR
LACK CAN’T CORRELATE
STRUCTURAL TWO DIFFERENT
OVERLAPPING
INFORMATION CHEMICAL SHIFTS
OF PEAKS
DIGITAL NOT PLOT THE
RESOLUTION IMPURITY PEAKS
EXPERIMENTAL PROCEDURE OF 2D NMR
Preparation: 90 degree pulse excite nuclei in sample
Evolution: Let nuclei precision freely
Mixing time: Again 90 degree pulse applied and create transverse
magnetization
Detection: Observed transverse magnetization is recorded
RESULTING OF 2D SPECTRUM
After processing 2D NMR we will get three types of peaks
Diagonal peaks at the main
diagonal of 2D spectrum and
are related to only one
transition
Cross peaks which correlates
different transitions and are
off diagonal
Axial peaks which give us
information about spin lattice
relaxation
COSY (correlation spectroscopy)
It is the result of J coupling and
give cross peaks
The cross signals originate from
nuclei indicate interaction of
two nuclei
The cross signals contains
information about the 2D NMR
spectra
COSY SPECTRUM
In this molecule proton
which are adjacent are
coupled and gives a cross
peak
For example in this
expanded COSY spectrum
H-1 and H-1’ are giving
cross peak (shown by an
arrow)
NOESY
When a proton is saturated, spatially closed proton may
experience an intensity enhancement, which is termed as
Nuclear Overhauser Effect).
It doesn’t depend on the J coupling but depends only on the
spatial proximity between proton.
It gives us information about how close two protons are.
For smaller molecules NOE is positive, for medium size
molecules it becomes zero while for large size molecules it is
negative.
NOESY SPECTRUM
APPLICATIONS OF NMR
REFERENCES
1. Organic structures from 2D NMR spectra (L.D Field)
2. Organic Spectroscopy (William Kemp) third edition
3. Introduction to spectroscopy (Pavia) fifth edition
4. Chemistry with concept
