Conformation-driven (de)localization of the exciton in 2-phenylpyridine oligomers: non-adiabatic surface hopping dynamics

Abstract

We report on non-adiabatic surface-hopping dynamics of exciton localization and delocalization processes in two 2-phenylpyridine oligomers: a linear and a helical one. In the linear pentamer, excited-state relaxation involves the delocalization of the exciton across multiple monomer units. In contrast, the relaxation in the helical pentamer proceeds with the localization of the exciton on a single monomeric unit.