Geometry of excited states of transition metal complexes from resonance Raman data and quantum chemical calculations

The method of estimation of the geometry changes due to electronic excitations using resonance Raman intensities and the results of quantum chemical calculations was extended on the transition metal complexes with organic ligands. The local nature of the MLCT transitions greatly simplifies the method in that it is possible to work only with a fragment of the initial rather complicated complex ion. The method is applied to the study of the Ru(II) complexes with 2,2′-bipyridine.