Substituent Effects on Photochemistry of Anthracene-Phenol-Pyridine Triads Revealed by Multireference Calculations.

ABSTRACT: Inverted region behavior for concerted proton-coupled electron transfer (PCET) was recently demonstrated for biomimetic anthracene-phenol-pyridine molecular triads. Photoexcitation of the anthracene to a locally excited state (LES) is followed by concerted electron transfer from the phenol to the anthracene and proton transfer from the phenol to the pyridine, forming a relatively long-lived charge separated state (CSS). The long-lived CSS and the inverted region behavior associated with the decay from the CSS to the ground state through charge recombination were experimentally observed only for triads with certain substituents on the anthracene and the pyridine. To explain this distinction, we computed the proton potential energy curves in four substituted triads using the complete active

SUBMITTER: Sayfutyarova ER 

PROVIDER: S-EPMC6949405 | biostudies-literature | 2020 Jan

REPOSITORIES: biostudies-literature