Articles with "ligand computational" as a keyword



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Carboxylate as a Non-innocent L-Ligand: Computational and Experimental Search for Metal-Bound Carboxylate Radicals.

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Published in 2022 at "Organic letters"

DOI: 10.1021/acs.orglett.2c01356

Abstract: We show that the carboxylate radical acts as an L-ligand with certain high-spin transition metal centers. Such coordination preserves the O-radical character needed for C-H activation via hydrogen atom transfer. Capture of the new C-radical… read more here.

Keywords: carboxylate non; computational experimental; innocent ligand; ligand computational ... See more keywords