Band shift in chromium(III) complexes with mixed ligands: molecular orbital approach

Abstract

The shift of the first and second spin allowed bands due to the stepwise replacement of the nitrogen atoms in a complex of Cr(III) of the CrN6 type of oxigen atoms of water or of carboxylic groups is analized in terms of perturbational molecule orbital theory. The set of parameters necessary to account for this effect has been obtained. Results agree fairly well experimental data.