Electronic structure and g-factor anisotropy of d1 systems in a trigonal environment

Abstract

The electronic structure of d¹ systems in trigonal complexes has been investigated; analytical expressions have been derived for the g factors in both C_3v(three-co-ordination) and D_3d(six-co-ordination) symmetry. The calculations are made on the basis of an additive point-ligand model. The angle θ between the z axis and the ligand bonds has been varied between 90 and 135°; the corresponding g values are calculated for different ligand-field parameters.