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 language | English |
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Pages (from-to) | 3137-3145 |
Number of pages | 9 |
Journal | Journal of The American Chemical Society |
Volume | 144 |
Issue number | 7 |
DOIs | |
Publication status | Published - 23 Feb 2022 |
Externally published | Yes |
Keywords
- Diradical Generation
- Proton-Coupled
- Electron Transfer