Vol. 14, issue 11, article # 10

Abstract:

To find possible ways for excitation, deactivation, and energy transfer, spectral and photophysical characteristics of molecular complexes: benzophenone/9,10-substituted anthracenes and 9,10-substituted anthracenes/naphthalene were calculated within the framework of the standard quantum-chemistry approach. Intermolecular Т ->S energy transfer in these systems occurs only in collision complexes at the van der Waals distance between molecules. Direct S ->Т energy transfer strongly yields the intramolecular process in substituted anthracenes/naphthalene complexes. Matrix elements of the single-electron spin-orbital operator were calculated in the multicenter approximation.