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Theoretical Exploration of Energy Transfer and Single Electron Transfer Mechanisms to Understand the Generation of Triplet Nitrene and the C(sp(3))–H Amidation with Photocatalysts
[Image: see text] Mechanistic explorations and kinetic evaluations were performed based on electronic structure calculations at the CASPT2//CASSCF level of theory, the Fermi’s golden rule combined with the Dexter model, and the Marcus theory to unveil the key factors regulating the processes of phot...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9709952/ https://www.ncbi.nlm.nih.gov/pubmed/36465545 http://dx.doi.org/10.1021/jacsau.2c00490 |