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Localization in excited states of molecules. Applications to [Ru(bpy)₃]²⁺

Yersin, Hartmut ; Braun, D.


The properties of electron or exciton localization have been analyzed in solid state physics. Similar concepts can be applied to molecular systems, like [Ru(bpy)₃]²⁺. It is shown that an energy stabilization of the lower excited states through delocalization (order of 10³ cm⁻¹, mainly through the Ru4d-bpyπ* mixing) has to be exceeded by a stabilization energy, which results from a nuclear ...


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