ELECTRONIC VIBRATIONAL SPECTROSCOPY OF LARGE VANDERWAALS MOLECULES

In this paper we focus on the electronic-vibrational spectra of tetracene . A1(A = Ar, Kr, Xe) heteroclusters, which provide information on the intermolecular nuclear motion of a rare-gas atom on the microsurface of a large aromatic molecule. Calculations of the energy levels and nuclear Franck-Condon factors for the excitation of the parallel and perpendicular intermolecular vibrations in the electronic S0 --> S1 excitation of heteroclusters were performed. The experimental energetic and intensity data for the perpendicular intermolecular nuclear excitation are well accounted for by our calculations. This study provides some information regarding the potential surfaces of large heteroclusters in electronically excited states, which are important for the elucidation of the spectroscopy, nuclear motion, and isomerization dynamics of large aromatic molecule . (rare gas)n heteroclusters.