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NMR Spectroscopy
A spectroscopy tool
Applications
❏ In medicines (MRI)
❏ Food technology
❏ Major application in chemistry is to
determine the structure of molecules
❏ In biology, for determining the structure
of biomolecules
Why is it so special ?
❏ Non invasive
❏ Each atom in a molecule can be probed
❏ Material can be studied in different
pH,pressure ,temperature
❏ All states of matter can be studied
❏ Dynamics at an atomic scale,for a range of
time can be studied
How does it work?
❏ Only active NMR nuclei show the spectrum
Eg : H , 13C ,19F ,15N
The quantum mechanical picture
For a nuclei which has spin and charge will have a dipole moment
μ=𝜸*I , 𝜸 = gyromagnetic ratio. , I=spin angular momentum
Energy of interaction when a magnetic field is applied is
E= -μ.B.
If magnetic field is only in Z direction , we get the energy of interaction
to be
E=-μz.Bz
Let’s consider a spin=½ nuclei
Boltzmann distribution law
N(higher)/N(lower) =exp(-ΔE/kT) ;
It says that at equilibrium always higher level will be less populated than ground level
ΔE=B.*𝜸*(h/2)
The population difference can be increased by
1)Increasing B
2)Decreasing T
Sensitivity of NMR instruments
1) Depends on population difference in different states
2) 𝜸 of different nuclei. Eg: 𝜸 of ‘H’ is four times 𝜸 of ‘C’
Bulk magnetisation
Different RF pulses
How do we get a NMR signal ? . FID?
How do we get the spectra ?
FID is thus nothing but a projection of the net
magnetisation along the X plane, along the
X axis.
Basically an oscillation, oscillation + decrease,
damped
oscillation.
Not all the nuclei will dephase around and precess around Bₒ with the same frequency
⍵ₒ , they will differ from ⍵ₒ a little reason being they are all not in the same chemical
environment.
So, the FID produced by this molecule will be a superposition of all this “chemical
environmentally “ different nucelis.
Fourier transform
❖ will tell us how many different frequencies are there in the molecules
❖ how many nuclei different in their chemical environment are present.
❖ It takes intensity/time ---->intensity/frequency
❖ Fourier transformation gives different peaks where in the area of the peak is
proportional to the number of hydrogen
Thankyou

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NMR PRESENTATION MSC III.pptx

  • 2. Applications ❏ In medicines (MRI) ❏ Food technology ❏ Major application in chemistry is to determine the structure of molecules ❏ In biology, for determining the structure of biomolecules
  • 3. Why is it so special ? ❏ Non invasive ❏ Each atom in a molecule can be probed ❏ Material can be studied in different pH,pressure ,temperature ❏ All states of matter can be studied ❏ Dynamics at an atomic scale,for a range of time can be studied
  • 4. How does it work? ❏ Only active NMR nuclei show the spectrum Eg : H , 13C ,19F ,15N
  • 5.
  • 6. The quantum mechanical picture For a nuclei which has spin and charge will have a dipole moment μ=𝜸*I , 𝜸 = gyromagnetic ratio. , I=spin angular momentum Energy of interaction when a magnetic field is applied is E= -μ.B. If magnetic field is only in Z direction , we get the energy of interaction to be E=-μz.Bz Let’s consider a spin=½ nuclei
  • 7.
  • 8. Boltzmann distribution law N(higher)/N(lower) =exp(-ΔE/kT) ; It says that at equilibrium always higher level will be less populated than ground level ΔE=B.*𝜸*(h/2) The population difference can be increased by 1)Increasing B 2)Decreasing T
  • 9. Sensitivity of NMR instruments 1) Depends on population difference in different states 2) 𝜸 of different nuclei. Eg: 𝜸 of ‘H’ is four times 𝜸 of ‘C’
  • 10.
  • 13. How do we get a NMR signal ? . FID?
  • 14. How do we get the spectra ? FID is thus nothing but a projection of the net magnetisation along the X plane, along the X axis. Basically an oscillation, oscillation + decrease, damped oscillation.
  • 15. Not all the nuclei will dephase around and precess around Bₒ with the same frequency ⍵ₒ , they will differ from ⍵ₒ a little reason being they are all not in the same chemical environment. So, the FID produced by this molecule will be a superposition of all this “chemical environmentally “ different nucelis.
  • 16. Fourier transform ❖ will tell us how many different frequencies are there in the molecules ❖ how many nuclei different in their chemical environment are present. ❖ It takes intensity/time ---->intensity/frequency ❖ Fourier transformation gives different peaks where in the area of the peak is proportional to the number of hydrogen