On the structure of hot absorption spectra of polyatomic molecules: Solvent effect on the transition energy gap

Abstract

Hot absorption spectra of polyatomic molecules may exhibit a characteristic shoulder. Its origin and connection to the 0-0 transition energy gap has been established on the basis of a recently developed quantum-classical approach. We demonstrate that an accurate estimate of the transition energy can be obtained directly from experimental data. The method can be used to study the solvent influence on the energetics of electronic transitions.