EFG Tensor at the V51 Nucleus in Solid Vanadium Compounds

  • N. I. Lazukova
  • V. A. Gubanov
Conference paper

Abstract

MO Calculations of electronic structure and EFG tensors at V51 nucleus have been carried out for V(V), V(IV) and V(III) solid compounds. The results obtained reveal large covalency contributions and show an inadequacy of ionic models for the compounds studied. The analysis of quadrupole interactions in vanadium oxides and the vanadates of s, d, f elements is given basing on the results of cluster calculations.

Keywords

Vanadium 

References

  1. 1.
    N.I. Lazukova, V.A. Gubanov, R.N. Pletnev, Int.J.Quant.Chem. 9, 691 (1975).Google Scholar
  2. 2.
    N.I. Lazukova, V.A. Gubanov, Zhurnal Neorgan.Khimii, USSR (in press).Google Scholar
  3. 3.
    N.I. Lazukova, V.A. Gubanov, Zhurnal Structurnoi Khimii, USSR, 18, 10 (1977).Google Scholar
  4. 4.
    J.O. Artman, Phys.Rev., 143, 541 (1966).Google Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 1979

Authors and Affiliations

  • N. I. Lazukova
    • 1
  • V. A. Gubanov
    • 1
  1. 1.Institute of ChemistryUral Science Center, Academy of SciencesSverdlovskUSSR

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