Theoretical equations of Zeeman energy levels for distorted metal complexes with $${}^5T_{2g}$$ ground terms

Abstract

The theoretical equations of Zeeman energy levels, including the zero-field energy levels and the first- and second-order Zeeman coefficients, have been derived for fifteen states of the $$^5T_{2g}$$ ground term, considering the axial ligand-field splitting and the spin–orbit coupling. The equations are expressed as the functions of three independent parameters, $$\Delta $$ , $$\lambda $$ , and $$\kappa $$ , where $$\Delta $$ is the axial ligand-field splitting parameter, $$\lambda $$ is the spin–orbit coupling parameter, and $$\kappa $$ is the orbital reduction factor. The equations are useful in simulating magnetic properties (magnetic susceptibility and magnetization) of the complexes with $$^5T_{2g}$$ ground terms, e.g. octahedral high-spin iron(II) complexes.