An electron spin resonance study of vanadium(II). Part III. Covalency factors derived from a correlation of the cubic crystal-field splittings from optical and electron spin resonance measurements on V2+ in lithium chloride, sodium chloride, potassium chloride, silver chloride, silver bromide, and cadmium chloride

Abstract

Covalency factors have been defined in terms of metal to ligand electron delocalisation including metal to ligand orbital overlap integrals. By a correlation of the optical and ‘apparent’ crystal-field splitting 10Dq from magnetic g-values of V²⁺ in a variety of halide lattices, estimates of these covalency factors have been derived. The ⁵¹V hyperfine coupling provided an independent and complementary measure of these factors. The results indicated commensurate σ- and π-bonding to E_g and T_2g antibonding d-bands in the excited and ground states respectively.