Franck-Condon Effects in Resonance Raman Spectra of TCNQ- and C10H+8 Radicals. A Search for Dushinsky Rotation of Totally Symmetric Modes
K. Zborowski and M. Pawlikowski
Department of Theoretical Chemistry, Jagiellonian University, Faculty of Chemistry, Ingardena 3, 30-600 Kraków, Poland
Received: March 22, 1995; in final form: May 18, 1995
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The resonance Raman spectra of tetracyanoquinodimethane anion (TCNQ-) and naphthalene cation (C10H+8) are analyzed in terms of theoretical model based on the Franck-Condon effects. The model includes also the effect of rotation of totally symmetric normal coordinates upon electronic excitation to the resonant state (Dushinsky effects). It is shown that such a simple model accounts correctly for the available resonance Raman spectra for TCNQ- and C10H+8 radicals. The possible model refinements such as vibronic coupling effects are also briefly discussed.
DOI: 10.12693/APhysPolA.88.435
PACS numbers: 33.20.Fb