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Density functional theory computes enantioselective borylation in cyclopropanols, indicating metal and ligand interplay.
Density functional theory calculations were performed to investigate the Ir/CBL-catalyzed C(sp3)-H borylation of cyclopropanols. The computations indicate that the reaction follows an Ir(III)/Ir(V) catalytic cycle with six-and seven-coordinate intermediates, involving...
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Yan et al. (2026) studied this question.
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