EFG Tensor at the V51 Nucleus in Solid Vanadium Compounds
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.
- 1.N.I. Lazukova, V.A. Gubanov, R.N. Pletnev, Int.J.Quant.Chem. 9, 691 (1975).Google Scholar
- 2.N.I. Lazukova, V.A. Gubanov, Zhurnal Neorgan.Khimii, USSR (in press).Google Scholar
- 3.N.I. Lazukova, V.A. Gubanov, Zhurnal Structurnoi Khimii, USSR, 18, 10 (1977).Google Scholar
- 4.J.O. Artman, Phys.Rev., 143, 541 (1966).Google Scholar