Ligand field splittings in non-cubic complexes. Part IV. The tetrachlorocuprate ion in distorted tetrahedral symmetry

Abstract

The relative energies of the d-orbitals in the CuCl₄^2– ion are calculated as a function of the extent of distortion from regular tetrahedral symmetry. σ- and π-Bonding and crystal field effects are included in an empirical theory. The only undetermined parameter in the calculations is taken from results obtained for chlorocuprates(II) in other geometries. The d–d transition energies of Cs₂CuCl₄ are calculated in excellent agreement with experimental values, and a correlation diagram between the one-electron levels in tetrahedral and square planar symmetry is presented.