Steric effects determine the mechanisms of reactions between bis(N-heterocyclic carbene)-nickel(0) complexes and aryl halides

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Nelson, David J. and Maseras, Feliu (2018) Steric effects determine the mechanisms of reactions between bis(N-heterocyclic carbene)-nickel(0) complexes and aryl halides. Chemical Communications, 75. pp. 10646-10649. ISSN 1359-7345 (https://doi.org/10.1039/C8CC06379F)

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Abstract

Computational investigations of the reactions of [Ni(NHC)2] complexes with aryl halides show that the outcomes are governed by the steric impact of the ligand (NHC = N-heterocyclic carbene). Small ligands permit facile oxidative addition, leading to NiII complexes, while larger NHC ligands prevent coordination of the aryl halide and favour the halide abstraction to form NiI.

ORCID iDs

Nelson, David J. ORCID logoORCID: https://orcid.org/0000-0002-9461-5182 and Maseras, Feliu;
CORE (COnnecting REpositories)