From symmetry breaking to symmetry swapping: is Kasha's rule violated in multibranched phenyleneethynylenes?

ABSTRACT: The phenomenon of excited-state symmetry breaking is often observed in multipolar molecular systems, significantly affecting their photophysical and charge separation behavior. As a result of this phenomenon, the electronic excitation is partially localized in one of the molecular branches. However, the intrinsic structural and electronic factors that regulate excited-state symmetry breaking in multibranched systems have hardly been investigated. Herein, we explore these aspects by adopting a joint experimental and theoretical investigation for a class of phenyleneethynylenes, one of the most widely used molecular building blocks for optoelectronic applications. The large Stokes shifts observed for highly symmetric phenyleneethynylenes are explained by the presence of low-lying dark states

SUBMITTER: Swathi K 

PROVIDER: S-EPMC9945429 | biostudies-literature | 2023 Feb

REPOSITORIES: biostudies-literature