Diradical Generation via Relayed Proton-Coupled Electron Transfer

Qianqian Shi, Zhipeng Pei, Jinshuai Song, Shi Jun Li, Donghui Wei, Michelle L. Coote, Yu Lan

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)

Abstract

Diradical generation followed by radical-radical cross-coupling is a powerful synthetic tool, but its detailed mechanism has yet to be established. Herein, we proposed and confirmed a new model named relayed proton-coupled electron transfer (relayed-PCET) for diradical generation, which could open a door for new radical-radical cross-coupling reactions. Quantum mechanics calculations were performed on a selected carbene-mediated diradical cross-coupling reaction model and a designed model, and the exact electronic structural changes during the radical processes have been observed for the first time.

Original languageEnglish
Pages (from-to)3137-3145
Number of pages9
JournalJournal of The American Chemical Society
Volume144
Issue number7
DOIs
Publication statusPublished - 23 Feb 2022
Externally publishedYes

Keywords

  • Diradical Generation
  • Proton-Coupled
  • Electron Transfer

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