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

David J. Nelson; Feliu Maseras

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

Pure And Applied Chemistry

Research output: Contribution to journal › Letter

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.

Language	English
Pages	1-3
Number of pages	3
Journal	Chemical Communications
Publication status	Accepted/In press - 29 Aug 2018

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Nickel

Ligands

carbene

Keywords

sterc impact
nickel catalysis

Cite this

Nelson, D. J., & Maseras, F. (Accepted/In press). Steric effects determine the mechanisms of reactions between bis(N-heterocyclic carbene)-nickel(0) complexes and aryl halides. Chemical Communications, 1-3.

Nelson, David J. ; Maseras, Feliu. / Steric effects determine the mechanisms of reactions between bis(N-heterocyclic carbene)-nickel(0) complexes and aryl halides. In: Chemical Communications. 2018 ; pp. 1-3.

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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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author = "Nelson, {David J.} and Feliu Maseras",

year = "2018",

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Nelson, DJ & Maseras, F 2018, 'Steric effects determine the mechanisms of reactions between bis(N-heterocyclic carbene)-nickel(0) complexes and aryl halides' Chemical Communications, pp. 1-3.

Steric effects determine the mechanisms of reactions between bis(N-heterocyclic carbene)-nickel(0) complexes and aryl halides. / Nelson, David J.; Maseras, Feliu.

In: Chemical Communications, 29.08.2018, p. 1-3.

Research output: Contribution to journal › Letter

TY - JOUR

T1 - Steric effects determine the mechanisms of reactions between bis(N-heterocyclic carbene)-nickel(0) complexes and aryl halides

AU - Nelson, David J.

AU - Maseras, Feliu

PY - 2018/8/29

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

M3 - Letter

SP - 1

EP - 3

JO - Chemical Communications

T2 - Chemical Communications

JF - Chemical Communications

SN - 1359-7345

ER -

Nelson DJ, Maseras F. Steric effects determine the mechanisms of reactions between bis(N-heterocyclic carbene)-nickel(0) complexes and aryl halides. Chemical Communications. 2018 Aug 29;1-3.