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

David J. Nelson; Feliu Maseras

doi:10.1039/c8cc06379f

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

David J. Nelson, Feliu Maseras

Department of Chemistry

Research output: Contribution to journal › Article › Research › peer-review

15 Citations (Scopus)

Abstract

© The Royal Society of Chemistry 2018. 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 language	English
Pages (from-to)	10646-10649
Journal	Chemical Communications
Volume	54
Issue number	75
DOIs	https://doi.org/10.1039/c8cc06379f
Publication status	Published - 1 Jan 2018

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

abstract = "{\textcopyright} The Royal Society of Chemistry 2018. 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.",

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AU - Maseras, Feliu

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N2 - © The Royal Society of Chemistry 2018. 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.

AB - © The Royal Society of Chemistry 2018. 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.

U2 - 10.1039/c8cc06379f

DO - 10.1039/c8cc06379f

M3 - Article

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VL - 54

SP - 10646

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IS - 75

ER -

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

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