Vibronic model Hamiltonian for the study of the near-IR-visible optical properties of [(NH3)(5)Ru-(4,4 '-bipyridine)-Ru(NH3)(5)](m+) (m=4, 5): Chargelocalization and electroabsorption spectra
A. Ferretti et al., Vibronic model Hamiltonian for the study of the near-IR-visible optical properties of [(NH3)(5)Ru-(4,4 '-bipyridine)-Ru(NH3)(5)](m+) (m=4, 5): Chargelocalization and electroabsorption spectra, J PHYS CH A, 104(42), 2000, pp. 9591-9599
A vibronic model Hamiltonian suitable for the study of the optical properti
es in the near-IR-visible of partially localized systems is presented and d
iscussed. The problem of how to deal with localization in a symmetric speci
es is examined in view of understanding the origin of the observed Stark sp
ectra. It is shown that a weak perturbation that breaks the symmetry of the
Hamiltonian, such as that due to interaction with the solvent, allows char
ge localization in the ground state, as well as provides for a good predict
ion of the observed Stark spectra.