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

David J. Nelson, Feliu Maseras

Research output: Contribution to journalLetter

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.
LanguageEnglish
Pages1-3
Number of pages3
JournalChemical Communications
Publication statusAccepted/In press - 29 Aug 2018

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Nickel
Ligands
carbene

Keywords

  • sterc impact
  • nickel catalysis

Cite this

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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 thearyl halide and favour the halide abstraction to form NiI.",
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AU - Maseras, Feliu

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Y1 - 2018/8/29

N2 - 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 thearyl halide and favour the halide abstraction to form NiI.

AB - 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 thearyl halide and favour the halide abstraction to form NiI.

KW - sterc impact

KW - nickel catalysis

UR - http://pubs.rsc.org/en/Journals/JournalIssues/CC

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JO - Chemical Communications

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