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Computational understanding of catalyst-controlled borylation of fluoroarenes: directed vs. undirected pathway
In this work, density functional theory (DFT) calculations are performed to understand the origin of the regioselective C–H borylation of aromatics catalyzed by Co(i)/(iPr)PNP and Ir(iii)/dtbpy (4,4-di-tert-butyl bipyridine). The calculation results indicate that for the Co(i)/(iPr)PNP catalytic sys...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9054080/ https://www.ncbi.nlm.nih.gov/pubmed/35515481 http://dx.doi.org/10.1039/d0ra03428b |