Abstract
This paper deals with the mechanisms of localization of Franck-Condon vibronic coupling of πσ*- or πlπ*-orbital type in a few vibrational modes, (LVM) in excited electronic states of polyatomic molecules. The analysis of vibronic coupling uses highly symmetric basis sets (for representing MO structures and normal coordinates ξR) as well as simplified models that relate the shift ΔR of the electron potential minima along the normal coordinates to the MO structure and to ξR in the form of analytical expressions. The modes that are active in LVM are determined from the experimental luminescence spectra. These ideas about approximately high local symmetry of vibronic coupling in benzene fragments as well as the estimates of ΔR depending on variations in the MO structure explain the experimental results.
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