Name : Saira Nasir

Roll no: 04 Mphil

Judges:
Iqra Tufail
Husna Ahmad
Aqib Prince
NMR Spectroscopy
Nuclear Magnetic Resonance Spectroscopy
Content:

 What is NMR Spectroscopy?

 Applications of NMR
 NMR Principle
 Instrumentation
 Graph Interpretation
Why NMR Spectroscopy is used?
 NMR Spectroscopy is used in different industries. E.g.
 In biology lab, NMR is used to determine protein structure.
 In chemical industry, NMR is used to determine molecular structure of a
compound.
 In medical industry, MRI (Magnetic Resonance Imaging) machine used for
scanning purpose works on principle of NMR Spectroscopy.

 Types of NMR Spectroscopy:

• NMR is of different types but mostly H-NMR and C13-NMR are used.
• In H-NMR ,compound is analyzed on basis of hydrogen atom.
• In C13-NMR ,compound is analyzed on basis of carbon-13 atom.
• H-NMR will be discussed in detail.
NMR Instrumentation:
 NMR Instrumentation

There are seven parts of NMR Spectroscope;

1. Magnet
2. Sample Tube
3. Sweep Generator
4. Radio-Frequency (RF) Transmitter
5. RF Receiver
6. Amplifier
7. Read-out Systems
 NMR Instrumentation:

• In NMR machine, two big magnets are present that produce strong magnetic field.
• Sample is placed in this magnetic field.
• Sample may be liquid or solid.
• Radiowaves are produced from a source. These radiowaves fall on sample.
• Hydrogen atoms in sample absorb energy of these radiowaves and reach high energy
state.
• Hydrogen atoms release energy to become stable and reach back in low energy state.
• Detector detects the released energy of atoms and graph is plot.
• Graph is called Spectrum. Structure of compound is interpret from the graph.
 Number Number Spin ( I ) Example
NMR is performed on which of
protons
of
neutrons
type of sample? Even Even 0 O-16

 NMR is performed on sample that contain NMR active atoms. Odd Odd Integar H-2
 NMR Active Atoms: (1,2,…)
 Atom consists of nucleus surrounded by electrons. In NMR, we are Even Odd Half- C-13
concerned only with nucleus of atom.
integar
 Protons and neutrons are present in nucleus. They rotate around (1/2,3/2,
their axis and show spin. So nucleus also show spin. …)
 If even number of neutrons and protons both, overall spin of
nucleus is zero. Such atoms that have zero value of nuclear spin Odd Even Half- N-15
( I ) are called NMR inactive atoms / Nucleus. integar
 If odd number of either proton or neutron ,overall spin of nucleus is (1/2,3/2,
non-zero due to extra proton or neutron. Such atoms have nuclear …)
spin value ( I ) as fraction or integar and are called NMR active
atoms.
Principle of NMR Spectroscopy:
 Suppose large magnets of machine with direction of magnetic field
from north to south.
 Sample is placed in between these magnets.
 In sample hydrogen atom is present that has a proton. These
protons (charged particles) rotates about their axis and act as
magnet with direction of magnetic field from north to south. It can
be represented as magnetic vector.
 When a small magnet (as hydrogen atom) comes in magnetic field
of a large magnet ,small magnet changes its orientation in direction
of external magnetic field. This state is called alpha-spin or low
energy state, because it is stable state of hydrogen atoms.
 But in a molecule ,other atoms are also present near hydrogen
atom. So hydrogen atom remains covered by electrons.
 When hydrogen atom covered by electrons come in magnetic field
of large magnet ,their orientation does not change much ,because
magnetic field produced by electrons (B in) has direction opposite
to that of external magnetic field (B0).
 E.g.

 Electromagnetic atom (oxygen) attracts electrons of nearby atoms towards itself.

So hydrogen atoms with less electron cloud are called deshielded atoms.
 Electronegativity is local effect. Atoms far away from electronegative atom have
more electron cloud and are called shielded atoms. So there is less effect of
external magnetic field on them.
 Radiowaves are fallen on sample and atoms of sample absorb energy of radiowaves
and reach in high energy state and change their direction. It is called beta-spin
state(high energy). They are said to be in resonance.
 Shielded atoms require less energy to come in beta-spin state.
 Deshielded atoms require more energy to come in beta-spin state.
 ∆E = hv (frequency)
 Atoms release energy to come back in stable state. Detectors detect the released
energy and graph is plot on basis of released energy.
NMR Spectrum (Graph):
 The peaks of hydrogen atoms initially formed in spectrum are called upfield.
 The peaks of hydrogen atoms formed later in spectrum are called downfield.
 Hydrogen atoms that use less energy to come in resonance are upfield,
because they are shielded hydrogen atoms.
 Downfield peaks are of deshielded hydrogen atoms.
 Peak Splitting:
 N+1 rule (N= number of neighbouring hydrogen atoms)
 Peak Integration:
• Peak integration means how many hydrogen atoms combine to give single
peak.
• Such hydrogen atoms that face chemically same environment give peak
integration.
Thanks