The Difference in Ir-Catalyzed C(sp2)-H and C(sp3)-H Bond Activation Assisted by a Directing Group: Cyclometalation via Cis- or Trans-Chelation?
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DOI: 10.1021/acs.inorgchem.4c02432
Abstract: Iridium-catalyzed C-H borylation of aromatic and aliphatic hydrocarbons assisted by a directing group was theoretically investigated. Density functional theory (DFT) calculations revealed both Ir-catalyzed C(sp2)-H and C(sp3)-H borylations via an IrIII/IrV catalytic cycle, where the… read more here.
Keywords: directing group; sp3; assisted directing; catalyzed sp2 ... See more keywords