Advertisement

Factor Group Splitting and Multipole Interactions in Molecular Crystals

  • Pradip N. Ghosh

Abstract

An electrostatic interaction potential has been used to explain the factor group splitting in several molecular crystals composed of small inorganic molecules. The potential function is expanded in terms of molecular multipole moments. It is shown that the dipolar coupling mechanism is not sufficient to reproduce the observed splitting in these crystals and that the quadrupolar interactions play a dominant role. In case of hydrogen halide and alkaline earth hydroxide crystals dipole-dipole, dipolequadrupole and quadrupole-quadrupole interactions can explain the splitting. The values of the quadrupole moment derivatives obtained from such studies are compared with those obtained from ab initio calculations. The possibility of obtaining quadrupole moment derivative from the observed factor group splitting will be discussed. The role of quadrupolar interaction in the case of cyanogen bromide crystal will also be examined.

Keywords

Quadrupolar Interaction Molecular Crystal Multipole Moment Hydrogen Halide Group Splitting 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. 1.
    A.S. Davydov, Theory of Molecular Excitons (Plenum, New York) 1971.Google Scholar
  2. 2.
    R.M. Hexter, Journal of Chemical Physics 33, 1833 (1960).ADSCrossRefGoogle Scholar
  3. 3.
    J.C. Decius, Journal of Chemical Physics 49, 1387 (1968).ADSCrossRefGoogle Scholar
  4. 4.
    P. Dawson, Journal of Physics and Chemistry of Solids 36, 1401 (1975).ADSCrossRefGoogle Scholar
  5. 5.
    R.E. Freeh and J.C. Decius, Journal of Chemical Physics 54, 2374 (1971).ADSCrossRefGoogle Scholar
  6. 6.
    P.N. Ghosh, Journal of Physics C : Solid State Physics 9, 2673 (1976).ADSCrossRefGoogle Scholar
  7. 7.
    P.N. Ghosh, Solid State Communications 19 ,639 (1976).ADSCrossRefGoogle Scholar
  8. 8.
    F.J. De Wette and G.E. Schacher, Physical Review 137, A78 (1965).CrossRefGoogle Scholar
  9. 9.
    R.K. Nesbet, Journal of Chemical Physics 41, 100 (1964).ADSCrossRefGoogle Scholar
  10. 10.
    W.J. Stevens, G. Das, A.C. Wahl, M. Krauss and D. Neumann, Journal of Chemical Physics 61, 3686 (1974).ADSCrossRefGoogle Scholar
  11. 11.
    A.R. Bandy, H.B. Friedrich and W.B. Person, Journal Chemical Physics 53, 674 (1970).ADSCrossRefGoogle Scholar
  12. 12.
    M. Pézelet and R. Savoie, Journal of Chemical Physics 54, 5266 (1971).ADSCrossRefGoogle Scholar

Copyright information

© Plenum Press, New York 1981

Authors and Affiliations

  • Pradip N. Ghosh
    • 1
  1. 1.Physical Chemistry LaboratorySwiss Federal Institute of TechnologyZurichSwitzerland

Personalised recommendations