Interpretation of the Parameters of the EPR Spectra of Transition Metal Complexes

Abstract

The calculated parameters of the EPR spectra of complexes of d1 and d9 ions were presented. The covalent bond parameters used in the calculations were determined from EPR and experimental optical data (inverse problem of EPR spectroscopy). Various contributions to the expressions for the EPR parameters were compared. The observed abnormal values of the EPR parameters were discussed. The effects of charge-transfer states and the vibronic coupling on the components of g, A, and AL tensors were considered. Mechanisms of spin density transfer to ligands in paramagnetic complexes were proposed.