Ligand hyperfine coupling in Mo(V) oxyhalide complexes

For a series of Mo(V) oxyhalide complexes MoOL ₅ ^2? (L = F, Cl, Br, I), interpretation of the ligand hyperfine coupling parameters (A ^L tensor components) is considered. The role of spin polarization is elucidated and the effect of charge transfer states is taken into account. The A ^L tensor components were calculated using the covalency parameters derived from experimental EPR and optical spectroscopy data for compounds under study (inverse problem of EPR spectroscopy).