Abstract
The mixing of charge transfer (CT) and molecular excitation (ME) states in a molecular radical dimer is investigated based on a model Hamiltonian for a dimer with two orbitals per site filled with two electrons. The CT/ME mixing brings about an intensity enhancement of intramolecular modes in the Raman spectra resonant with the CT absorption. The relevant parameter for this effect is the transfer integral t ab for the hopping of one electron from orbital a in one molecule to orbital b in the other. This theoretical prediction is confirmed by Raman excitation profiles measured for the cation radical salt (TTF) 2(W 6O 19).
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