Axial Crystal Fields in the Ionic Model

Abstract

Expressions for the axial components of crystal fields of tetragonal, trigonal, and cylindrical symmetry are developed in terms of the parameters Ds and Dt. These parameters are calculated in the ionic model using Hartree‐Fock 3d radial wave functions. The calculated parameters are compared to experimental values obtained from the spectra of V(III) in Al₂O₃ and Co(II) in CoO. Tentative assignments of the bands in the spectrum of (C₅H₅)₂Ni are made.