A. Ferretti et al., Absorption and electroabsorption spectra of [(NH3)(5)Ru-pyrazine](2+) and [(NH3)(5)Ru-pyrazine-H](3+) by a vibronic model Hamiltonian, PHYS CHEM P, 3(13), 2001, pp. 2576-2580
The near IR-visible absorption and electroabsorption (Stark) spectra of the
title compounds are studied by using a vibronic model Hamiltonian. The mod
el, very simple in its electronic part, includes both bond and local (on-si
te) vibrations, whose separate effects on the optical properties are also i
nvestigated. We have found that bond vibrations, often neglected in model c
alculations, play a significant role in the lineshape profile. Relevant mol
ecular parameters, such as dipole moment and polarizability, in both the gr
ound and the excited states, are computed within the framework of the prese
nt model. Good agreement with the experimentally available results is found
.