Revisiting photocyclization of the donor–acceptor stenhouse adduct: missing pieces in the mechanistic jigsaw discovered

Authors :: Yazhen Li
Chaoyuan Zhu
Fenglong Gu
Fengyi Liu
Source :: Physical Chemistry Chemical Physics. 25:7417-7422
Publication Year :: 2023
Publisher :: Royal Society of Chemistry (RSC), 2023.
Abstract: The CASSCF/CASPT2 calculations reveal the dominant channel of DASA photocyclization, i.e., a thermal-then-photo EEZ → EZZ → EZE isomerization.

Subjects :: General Physics and Astronomy
Physical and Theoretical Chemistry

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