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PRINCIPLE AND WORKING OF NMR
SPECTROSCOPY
Presented by,
Prof. Pramod V.Burakale
Dept. of P’ceutical chemistry
IBSS,College of pharmacy
Malkapur.
1
CONTENTS
 Introduction
 Basics of atomic structure
 Spin quantum No.
 What is NMR?
 Precessional frequency & motion
 Theory of NMR
 Larmor equation
 Instrumentation
 Types of NMR
 Advantages of FT-NMR
2
INTRODUCTION
 NMR is the most powerful tool available for organic
structure determination.
 NMR Spectrometry is based on the measurement of
absorption of electromagnetic radiation in the radio
frequency region of roughly 4 to 900MHz. In
contrast to UV, IR and visible absorption, nuclei of
atoms rather than outer electrons are involved in
the process
 It is used to study a wide variety of nuclei:
 1H
 13C
 15N
3
BASICS OF ATOMIC STRUCTURE
 What is atom?
 Composition of atom?
 What is molecule?
 What is atomic No.?
 What is atomic mass No.?
 Different charges on atom?
 What is spinning nuclei?
 What is spin quantum No.?
4
5
A
 Elements are composed of extremely
small particles called atoms. All atoms of
a given element are identical. The atoms
of one element are different from the
atoms of all other elements.
 A molecule is an aggregate of two or more
atoms in a definite arrangement held
together by chemical bonds.
6
A
 Atomic No.- Number of Protons present in
the nuclei of atom.
 Atomic mass No.- Number of protons and
neutrons present in the nuclei of atom.
Atomic mass no.= No.of protons+ No. of
neutrons
7
SPIN QUANTUM NUMBER
 Spin quantum no denoted by ‘I’
 Atom having I > o shows NMR spectra
 Spin quantum depends on atomic no.&
atomic mass no.
 No. of possible orientation calculated
using
(2 I +1)
8
Mass NO. Atomic NO. Spin quantum No.
odd odd or even ½, 3/2, 5/2………
even even 0
even odd 1,2,3………………
WHAT IS NMR?
Nuclear Magnetic
Resonance
Matching of
frequencies
9
In the Nucleus Involves Magnets
PRECESSIONAL FREQUENCY AND MOTION
 Proton is act as tiny magnet in external
magnetic field
 A slower waltz like motion of nuclei
around axis known as precessional
motion
 The precessional frequency may be
defined as the number of revolutions per
seconds made by the magnetic moment
vector of the nucleus around the external
field H0
 Eg. Spinning top 10
PRECESSIONAL FREQUENCE AND MOTION
11
THEORY OF NMR
 Every charged nuclei having
property of spinning.
 Induced magnetic field.
 Resonance.
 Absorption of energy.
 Flipping phenomenon.
 Measurement of release energy.
 Relaxation process.
12
THEORY OF NMR(FLIPPING PHENOMENON)
13
ENERGY TRANSITION
 Nuclei with 2 allowed spin states can align
either with or against the field,
14
T1 RELAXATION
15
 T1 relaxation is sometimes called spin-lattice
relaxation.
 In this type of relaxation the energy lost as the
nucleus returns to the lower energy state is
transferred to the molecule in the form of
heat.This means that the total number of nuclei
in the excited state decreases.
T2 RELAXATION
 T2 relaxation is commonly refered as spin-spin
relaxation.
 In this type of relaxation the energy released
when a nucleus makes the transition from high to
low energy state is absorbed by another nucleus.
This allows the other nucleus to move from low
energy to high 16
T2 RELAXATION
 Short relaxation times result in broad
signals. Longer relaxation times then
produce narrower signals.
 An excited nucleus transfer it’s energy to
an unexcited nucleus of a similar
molecule that is nearby.
17
LARMOR EQUATION
 v = (g/ 2π ) Bo
 g = Magnetogyric ratio
 Bo = Magnetic field
 Larmor frequency: The nuclei precess
about an axis parallel to the applied
magnetic field, with a frequency called the
Larmor Frequency (w)
18
RELATION BETWEEN ‘V’ AND ‘Bo
Slow precession in small
magnetic field
Faster precession in larger
magnetic field
19
INSTRUMENTATION
20
ROLE OF DIFFERENT COMPONENT
 Strong magnet
 Radio frequency source(input
oscillator)
 A detector(output receiver)
 An amplifier
 Recorder
 Sample holder
 Coil around sample
21
WORKING OF NMR SPECTROPHOTOMETER
 Sample under investigation taken in glass
tube
 Rf source is made to fall on sample by
feeding energy into the coil wound around
the sample holder
 A signal is detected if nuclei in sample
resonate with source
 Energy is transfer from via nuclei to
detector source
 Output from detector is fed to recorder
after amplification
22
TYPES OF NMR
CW NMR spectroscopy
 Magnetic field is steady and tunable
radio frequency is use.
 It is operated on frequency sweep
method
FT-NMR spectroscopy
 Conversion of time domain spectra into
frequency domain spectra.
23
NEW TRENDS IN NMR
24
 FT-
NMR
ADVANTAGES OF FT-NMR OVER CWNMR
 More sensitive.
 It can measure weaker signal also,
 Required less time for scanning .
 Measurement of FID can performed in few
second.
 Suitable for examination of nuclei that are
not strongly magnetic.
 Also suitable for very dilute sample.
 Coupling constant is easily determine.
25
SUMMARY
 In NMR spectroscopy the electromagnetic
radiation absorb in frequency region of 4-
900 MHz
 Nuclei of atom involved in process
 Atom having I>0 shows NMR spectra
 Unless and until nuclei of atom not
resonate with radio frequency it can not
give spectra
 More will be the strength of external
magnetic field more will be the frequency
of rotation 26
REFERENCES
 Skoog D.A, Holler F.J.& Crouch
S.R.,”Instrumental Analysis” Page No. 552-
567,577
 William Kemp, “Organic Spectroscopy” 3rd
edition,Published by Palgrave, Page No.
103-118.
27
28
29

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Principle and working of Nmr spectroscopy

  • 1. PRINCIPLE AND WORKING OF NMR SPECTROSCOPY Presented by, Prof. Pramod V.Burakale Dept. of P’ceutical chemistry IBSS,College of pharmacy Malkapur. 1
  • 2. CONTENTS  Introduction  Basics of atomic structure  Spin quantum No.  What is NMR?  Precessional frequency & motion  Theory of NMR  Larmor equation  Instrumentation  Types of NMR  Advantages of FT-NMR 2
  • 3. INTRODUCTION  NMR is the most powerful tool available for organic structure determination.  NMR Spectrometry is based on the measurement of absorption of electromagnetic radiation in the radio frequency region of roughly 4 to 900MHz. In contrast to UV, IR and visible absorption, nuclei of atoms rather than outer electrons are involved in the process  It is used to study a wide variety of nuclei:  1H  13C  15N 3
  • 4. BASICS OF ATOMIC STRUCTURE  What is atom?  Composition of atom?  What is molecule?  What is atomic No.?  What is atomic mass No.?  Different charges on atom?  What is spinning nuclei?  What is spin quantum No.? 4
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  • 6. A  Elements are composed of extremely small particles called atoms. All atoms of a given element are identical. The atoms of one element are different from the atoms of all other elements.  A molecule is an aggregate of two or more atoms in a definite arrangement held together by chemical bonds. 6
  • 7. A  Atomic No.- Number of Protons present in the nuclei of atom.  Atomic mass No.- Number of protons and neutrons present in the nuclei of atom. Atomic mass no.= No.of protons+ No. of neutrons 7
  • 8. SPIN QUANTUM NUMBER  Spin quantum no denoted by ‘I’  Atom having I > o shows NMR spectra  Spin quantum depends on atomic no.& atomic mass no.  No. of possible orientation calculated using (2 I +1) 8 Mass NO. Atomic NO. Spin quantum No. odd odd or even ½, 3/2, 5/2……… even even 0 even odd 1,2,3………………
  • 9. WHAT IS NMR? Nuclear Magnetic Resonance Matching of frequencies 9 In the Nucleus Involves Magnets
  • 10. PRECESSIONAL FREQUENCY AND MOTION  Proton is act as tiny magnet in external magnetic field  A slower waltz like motion of nuclei around axis known as precessional motion  The precessional frequency may be defined as the number of revolutions per seconds made by the magnetic moment vector of the nucleus around the external field H0  Eg. Spinning top 10
  • 12. THEORY OF NMR  Every charged nuclei having property of spinning.  Induced magnetic field.  Resonance.  Absorption of energy.  Flipping phenomenon.  Measurement of release energy.  Relaxation process. 12
  • 13. THEORY OF NMR(FLIPPING PHENOMENON) 13
  • 14. ENERGY TRANSITION  Nuclei with 2 allowed spin states can align either with or against the field, 14
  • 15. T1 RELAXATION 15  T1 relaxation is sometimes called spin-lattice relaxation.  In this type of relaxation the energy lost as the nucleus returns to the lower energy state is transferred to the molecule in the form of heat.This means that the total number of nuclei in the excited state decreases.
  • 16. T2 RELAXATION  T2 relaxation is commonly refered as spin-spin relaxation.  In this type of relaxation the energy released when a nucleus makes the transition from high to low energy state is absorbed by another nucleus. This allows the other nucleus to move from low energy to high 16
  • 17. T2 RELAXATION  Short relaxation times result in broad signals. Longer relaxation times then produce narrower signals.  An excited nucleus transfer it’s energy to an unexcited nucleus of a similar molecule that is nearby. 17
  • 18. LARMOR EQUATION  v = (g/ 2π ) Bo  g = Magnetogyric ratio  Bo = Magnetic field  Larmor frequency: The nuclei precess about an axis parallel to the applied magnetic field, with a frequency called the Larmor Frequency (w) 18
  • 19. RELATION BETWEEN ‘V’ AND ‘Bo Slow precession in small magnetic field Faster precession in larger magnetic field 19
  • 21. ROLE OF DIFFERENT COMPONENT  Strong magnet  Radio frequency source(input oscillator)  A detector(output receiver)  An amplifier  Recorder  Sample holder  Coil around sample 21
  • 22. WORKING OF NMR SPECTROPHOTOMETER  Sample under investigation taken in glass tube  Rf source is made to fall on sample by feeding energy into the coil wound around the sample holder  A signal is detected if nuclei in sample resonate with source  Energy is transfer from via nuclei to detector source  Output from detector is fed to recorder after amplification 22
  • 23. TYPES OF NMR CW NMR spectroscopy  Magnetic field is steady and tunable radio frequency is use.  It is operated on frequency sweep method FT-NMR spectroscopy  Conversion of time domain spectra into frequency domain spectra. 23
  • 24. NEW TRENDS IN NMR 24  FT- NMR
  • 25. ADVANTAGES OF FT-NMR OVER CWNMR  More sensitive.  It can measure weaker signal also,  Required less time for scanning .  Measurement of FID can performed in few second.  Suitable for examination of nuclei that are not strongly magnetic.  Also suitable for very dilute sample.  Coupling constant is easily determine. 25
  • 26. SUMMARY  In NMR spectroscopy the electromagnetic radiation absorb in frequency region of 4- 900 MHz  Nuclei of atom involved in process  Atom having I>0 shows NMR spectra  Unless and until nuclei of atom not resonate with radio frequency it can not give spectra  More will be the strength of external magnetic field more will be the frequency of rotation 26
  • 27. REFERENCES  Skoog D.A, Holler F.J.& Crouch S.R.,”Instrumental Analysis” Page No. 552- 567,577  William Kemp, “Organic Spectroscopy” 3rd edition,Published by Palgrave, Page No. 103-118. 27
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