Fields of Research, NMR of Oriented Molecules

Quadrupolar Interactions

  • Origin of Quadrupolar Interactions
  • Theory of Quadrupolar Interactions
  • Calculations of QCC
  • Determination Methods of QCC
  • from different temperature spectra
    from different concentration spectra
    by use of molecular symmetry
  • Comparison of Methods
  • Quadrupolar Couplings Data
  • Deuterium
    Nitrogen-14
    Boron-10, boron-11
  • Comparison with Theory
  • Separation of Isotropic and Anisotropic Interaction
  • ?
  • ?
  • Origin of Quadrupolar Interactions

    Quadrupolar Interactions

    Nuclei with spin I > 1/2 possess nuclear electric quadrupole moments.
    The anisotropic orientational distribution of solute molecules in liquid crystals makes it possible to use the NMR observables for the determination of the quadrupole couplings for nuclei with spin >=1.
    The Hamiltonian for a such partially aligned spin system contains an extra term (see Theory of Liquid Crystal NMR Spectra). For convenience we will write
    qizz = eVizzQi/h
    As in isotropic solutions, for anisotropic solutions the line broadening effect will also appear, but in addition there may be a non-zero average value of qizz, and this gives rise to extra lines in the spectrum.
    In practice, for most quadrupolar nuclei splittings are not observed because of rapid relaxations. Thus nuclei such as Iodine, Bromine and Chlorine, which have large values of QCC do not give resolved high resolution NMR spectra in liquid crystals.
    Much smaller values of QCC occur for nuclei 10B, 11B, 14N and particularly 2H.

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    Last Update: April 22th, 1997
    By: Alexan Shahatuni (msrc@moon.yerphi.am)