Solvent tuning of photochemistry upon excited-state symmetry breaking.

Dereka, Bogdan; Svechkarev, Denis; Rosspeintner, Arnulf; Aster, Alexander; Lunzer, Markus; Liska, Robert; Mohs, Aaron M; Vauthey, Eric · Nat Commun · 2020

basic_science · Level V

Where this comes from

Abstract

The nature of the electronic excited state of many symmetric multibranched donor-acceptor molecules varies from delocalized/multipolar to localized/dipolar depending on the environment. Solvent-driven localization breaks the symmetry and traps the exciton in one branch. Using a combination of ultrafast spectroscopies, we investigate how such excited-state symmetry breaking affects the photochemical reactivity of quadrupolar and octupolar A-(π-D)<sub>2,3</sub> molecules with photoisomerizable A-π-D branches. Excited-state symmetry breaking is identified by monitoring several spectroscopic signatures of the multipolar delocalized exciton, including the S<sub>2</sub> ← S<sub>1</sub> electronic transition, whose energy reflects interbranch coupling. It occurs in all but nonpolar solvents. In polar media, it is rapidly followed by an alkyne-allene isomerization of the excited branch. In nonpolar solvents, slow and reversible isomerization corresponding to chemically-driven symmetry breaking, is observed. These findings reveal that the photoreactivity of large conjugated molecules can be tuned by controlling the localization of the excitation.