Abstract
A technique for estimating the changes in the geometrical structural parameters of complex compounds during charge-transfer electron excitations is proposed. The method combines the experimental Raman resonance data, the wave packet dynamics procedure, and quantum-chemical calculations of the geometry and vibrational spectra of relatively small fragments of the complex ion. The technique is used to determine the changes in the geometrical structure of 2,\(2'\)-bipyridine during metal–ligand charge transfer excitations in Ru(II) complexes.
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