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

David J. Nelson, Feliu Maseras

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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.
Original languageEnglish
Pages (from-to)1-3
Number of pages3
JournalChemical Communications
Publication statusAccepted/In press - 29 Aug 2018


  • sterc impact
  • nickel catalysis

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