Mechanism of Iridium-Mediated Selective Arene Cleavage: Insights from Density Functional Theory (DFT) Calculations.
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DOI: 10.1021/acs.orglett.8b00200
Abstract: The mechanism and regioselectivity of iridium-mediated cleavage of aromatic C-C bonds in a series of monomethylated, dimethylated, and trimethylated benzenes without the activation of weaker C-H and C-C bonds are clarified using density functional theory… read more here.
Keywords: density functional; iridium mediated; theory dft; dft calculations ... See more keywords