Orbital valence force field constants of tetrahedral transition metal oxoanions
Abstract
The orbital valence force field is used to calculate complete sets of force constants for the following transition metal oxoanions with Td symmetry: VO 43-, CrO 42-, MnO 4-, MoO 42-, TeO 4-, WO 42-, and ReO 4-. It is shown that the repulsion between the nonbonded O atoms cannot be explained by dispersion forces alone and that a single term Lennard-Jones potential is unable to describe it properly. The force constants obtained are compared with previously calculated U.B.F.F. constants for the same ions.
- Publication:
-
Journal of Molecular Spectroscopy
- Pub Date:
- 1967
- DOI:
- 10.1016/0022-2852(67)90175-0
- Bibcode:
- 1967JMoSp..22..290K