Royal Society of Chemistry, RSC Advances, 33(10), p. 19562-19569, 2020
DOI: 10.1039/d0ra03428b
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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)/iPrPNP and Ir(iii)/dtbpy (4,4-di-tert-butyl bipyridine).