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NUCLEAR MAGNETIC
RESONANCE
SPECTROSCOPY
*Nuclear magnetic resonance spectroscopy is a powerful analytical technique
used to characterize organic molecules by identifying carbon-hydrogen
constitution within molecules.
*Two common types of NMR spectroscopy are used to characterize organic
structure: 1H NMR is used to determine the type and number of H atoms in a
molecule; 13C NMR is used to determine the type of carbon atoms in the
molecule.
*The source of energy in NMR is radio waves which have long wavelengths,
and thus low energy and frequency.
*When low-energy radio waves interact with a molecule, they can change the
nuclear spins of some elements, including 1H and 13C.
*The most commonly studied nuclei are 1H and 13C,other nuclei such as 2H,
6Li, 10B, 14N, 29Si, 31P,etc. are also studied.
*A spinning charge creates a magnetic moment, so these nuclei can be
thought of as tiny magnets.
*If we place these nuclei in a magnetic field, they can line up with or
against the field by spinning clockwise or counter clockwise.
S
A spinning nucleus with it's magnetic field
aligned with the magnetic field of a magnet
- spin state,
favorable,
lower energy
N
S
N
N
S - spin state,
unfavorable,
higher energy
A spinning nucleus with it's magnetic field
aligned against the magnetic field of a magnet
S
N
*Alignment with the magnetic field (called α) is at lower energy than
against the magnetic field (called β). The energy difference depends on
the strength of the magnetic field.
*For example, we place CH4 molecule in a magnetic field.
*We find the energy difference of the α - and β - state of the protons by
irradiating them with EM radiation of just the right energy.
*In a magnet of 7.05 Tesla, it takes EM radiation of about 300 MHz
(radio waves).So, if we bombard the molecule with 300 MHz radio
waves, the protons will absorb that energy and we can measure that
absorbance.
*In a magnet of 11.75 Tesla, it takes EM radiation of about 500 MHz
(stronger magnet means greater energy difference between the α - and
β - state of the protons)
*Data is instead reported using the “chemical shift” scale as described
later.
E
Bo
E = h x 300 MHz E = h x 500 MHz
7.05 T 11.75 T
proton spin state
(lower energy)
proton spin state
(higher energy)
Graphical relationship between
magnetic field (Bo) and frequency (
for1
H NMR absorptions
at no magnetic field,
there is no difference beteen
- and - states.
0 T
*Video illustrating hydrogen NMR
Schematic diagram for NMR spectroscopy:-
*Sampling:-Tetramethylsilane is the accepted internal standard for
calibrating chemical shift for 1H, 13C and 29Si NMR spectroscopy in organic
solvents (where TMS is soluble).
* In water, where it is not soluble, sodium salts of DSS, 2,2-dimethyl-2-
silapentane-5-sulfonate, are used instead.
*Because of its high volatility, TMS can easily be evaporated, which is
convenient for recovery of samples analyzed by NMR spectroscopy
*There are mainly two types of NMR spectroscopy instruments:-
(1)Fourier transform NMR instrument
(2)Continuous wave NMR instrument
*1>Fourier Transform NMR Instrument : In Fourier Transform NMR
Instrument small energy change takes place in the magnitude , present in
NMR and hence the sensitivity of this instrument is very less. The
sensitivity in Fourier Transform NMR is increased by adding the square root
of recorded spectra’s together .This process takes place by a continuous wave
instrument . Simultaneous irradiation of frequency occurs in a spectrum
having a radio frequency pulse and then the nuclei returns back to thermal
equilibrium or its normal state .
*2>Continuous Wave NMR Instrument : The Continuous Wave NMR
follows the principle of optical spectrometers .The frequency of the given
source of products is scanned by placing it in a magnetic field .Sometimes in
some products the source is kept constant and the magnetic field is scanned
and changed .Previously experiments were done using Continuous Wave
NMR but now Fourier transform NMR is high prefered .
*The most abundant form of carbon is 12C. It does not give NMR.
* The less abundant carbon isotope 13C and its spin is 1/2, so it can be used in
NMR.
*Carbon NMR is simpler than proton NMR because of the obvious reason that
carbon NMR has large chemical shift ranging as much as 200 ppm; while for
proton NMR, it is not more than 10ppm.
*On the other side in contrast to 1H NMR, the intensities of the signals are not
normally proportional to the number of equivalent 13C atoms and are instead
strongly dependent on the number of surrounding spins.
*Rest in all means, the C NMR is similar to H NMR.
*Medicine
*Chemistry(to detect compound)
*Purity determination (w/w NMR)
*Non-destructive testing
*Acquisition of dynamic information
*Data acquisition in the petroleum industry
*Flow probes for NMR spectroscopy
*Process control
*Earth's field NMR
*Zero Field NMR
*Quantum computing
*Magnetometers
Courtsey:-
GOOGLE
YOUTUBE
BAHL AND BAHL
WILLEY

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Nuclear magnetic resonance spectroscopy

  • 2. *Nuclear magnetic resonance spectroscopy is a powerful analytical technique used to characterize organic molecules by identifying carbon-hydrogen constitution within molecules. *Two common types of NMR spectroscopy are used to characterize organic structure: 1H NMR is used to determine the type and number of H atoms in a molecule; 13C NMR is used to determine the type of carbon atoms in the molecule. *The source of energy in NMR is radio waves which have long wavelengths, and thus low energy and frequency. *When low-energy radio waves interact with a molecule, they can change the nuclear spins of some elements, including 1H and 13C. *The most commonly studied nuclei are 1H and 13C,other nuclei such as 2H, 6Li, 10B, 14N, 29Si, 31P,etc. are also studied.
  • 3. *A spinning charge creates a magnetic moment, so these nuclei can be thought of as tiny magnets. *If we place these nuclei in a magnetic field, they can line up with or against the field by spinning clockwise or counter clockwise. S A spinning nucleus with it's magnetic field aligned with the magnetic field of a magnet - spin state, favorable, lower energy N S N N S - spin state, unfavorable, higher energy A spinning nucleus with it's magnetic field aligned against the magnetic field of a magnet S N
  • 4. *Alignment with the magnetic field (called α) is at lower energy than against the magnetic field (called β). The energy difference depends on the strength of the magnetic field. *For example, we place CH4 molecule in a magnetic field. *We find the energy difference of the α - and β - state of the protons by irradiating them with EM radiation of just the right energy. *In a magnet of 7.05 Tesla, it takes EM radiation of about 300 MHz (radio waves).So, if we bombard the molecule with 300 MHz radio waves, the protons will absorb that energy and we can measure that absorbance. *In a magnet of 11.75 Tesla, it takes EM radiation of about 500 MHz (stronger magnet means greater energy difference between the α - and β - state of the protons)
  • 5. *Data is instead reported using the “chemical shift” scale as described later. E Bo E = h x 300 MHz E = h x 500 MHz 7.05 T 11.75 T proton spin state (lower energy) proton spin state (higher energy) Graphical relationship between magnetic field (Bo) and frequency ( for1 H NMR absorptions at no magnetic field, there is no difference beteen - and - states. 0 T
  • 7. Schematic diagram for NMR spectroscopy:-
  • 8. *Sampling:-Tetramethylsilane is the accepted internal standard for calibrating chemical shift for 1H, 13C and 29Si NMR spectroscopy in organic solvents (where TMS is soluble). * In water, where it is not soluble, sodium salts of DSS, 2,2-dimethyl-2- silapentane-5-sulfonate, are used instead. *Because of its high volatility, TMS can easily be evaporated, which is convenient for recovery of samples analyzed by NMR spectroscopy
  • 9. *There are mainly two types of NMR spectroscopy instruments:- (1)Fourier transform NMR instrument (2)Continuous wave NMR instrument *1>Fourier Transform NMR Instrument : In Fourier Transform NMR Instrument small energy change takes place in the magnitude , present in NMR and hence the sensitivity of this instrument is very less. The sensitivity in Fourier Transform NMR is increased by adding the square root of recorded spectra’s together .This process takes place by a continuous wave instrument . Simultaneous irradiation of frequency occurs in a spectrum having a radio frequency pulse and then the nuclei returns back to thermal equilibrium or its normal state . *2>Continuous Wave NMR Instrument : The Continuous Wave NMR follows the principle of optical spectrometers .The frequency of the given source of products is scanned by placing it in a magnetic field .Sometimes in some products the source is kept constant and the magnetic field is scanned and changed .Previously experiments were done using Continuous Wave NMR but now Fourier transform NMR is high prefered .
  • 10.
  • 11. *The most abundant form of carbon is 12C. It does not give NMR. * The less abundant carbon isotope 13C and its spin is 1/2, so it can be used in NMR. *Carbon NMR is simpler than proton NMR because of the obvious reason that carbon NMR has large chemical shift ranging as much as 200 ppm; while for proton NMR, it is not more than 10ppm. *On the other side in contrast to 1H NMR, the intensities of the signals are not normally proportional to the number of equivalent 13C atoms and are instead strongly dependent on the number of surrounding spins. *Rest in all means, the C NMR is similar to H NMR.
  • 12. *Medicine *Chemistry(to detect compound) *Purity determination (w/w NMR) *Non-destructive testing *Acquisition of dynamic information *Data acquisition in the petroleum industry *Flow probes for NMR spectroscopy *Process control *Earth's field NMR *Zero Field NMR *Quantum computing *Magnetometers