论文部分内容阅读
Photoredox catalysis relies on excited-state single-electron transfer(SET)processes to drive unique photochemical reactions.In this work accurate electronic structure calculations at the CASPT2//CASSCF/PCM level of theory are employed to provide new insights into the SET initiation,activation,and deactivation in the photoredox α-vinylation reactions mediated by iridium(Ⅲ)catalysts.