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

Pure And Applied Chemistry

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

24 Citations (Scopus)

65 Downloads (Pure)

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.

Original language	English
Pages (from-to)	10646-10649
Number of pages	4
Journal	Chemical Communications
Volume	75
DOIs	https://doi.org/10.1039/C8CC06379F
Publication status	Published - 30 Aug 2018

Keywords

sterc impact
nickel catalysis

Access to Document

10.1039/C8CC06379F

Nelson-Maseras-CC2018-Steric-effects-determine-the-mechanisms-of-reactions-betweenAccepted author manuscript, 354 KB

Cite this

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

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.",

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

year = "2018",

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AU - Nelson, David J.

AU - Maseras, Feliu

PY - 2018/8/30

Y1 - 2018/8/30

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 the aryl 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 the aryl halide and favour the halide abstraction to form NiI.

KW - sterc impact

KW - nickel catalysis

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

U2 - 10.1039/C8CC06379F

DO - 10.1039/C8CC06379F

M3 - Letter

SN - 1359-7345

VL - 75

SP - 10646

EP - 10649

JO - Chemical Communications

JF - Chemical Communications

ER -

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

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Data for: "Halide abstraction competes with oxidative addition in the reactions of aryl halides with [Ni(PMenPh(3-n))4]"

Halide abstraction competes with oxidative addition in the reactions of aryl halides with [Ni(PMe_nPh(_3-n))₄]

Understanding Oxidative Addition to Nickel(0): Implications for Cross-Coupling Catalysis

Reaction Mechanisms and Structure/ Reactivity Relationships in Nickel-Catalysed Cross-Coupling Reactions

Nickel(0) Complexes and Aryl Halides: Reaction Mechanisms and Structure/Reactivity Relationships

Cite this

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

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Datasets

Data for: "Halide abstraction competes with oxidative addition in the reactions of aryl halides with [Ni(PMenPh(3-n))4]"

Research output

Halide abstraction competes with oxidative addition in the reactions of aryl halides with [Ni(PMenPh(3-n))4]

Activities

Understanding Oxidative Addition to Nickel(0): Implications for Cross-Coupling Catalysis

Reaction Mechanisms and Structure/ Reactivity Relationships in Nickel-Catalysed Cross-Coupling Reactions

Nickel(0) Complexes and Aryl Halides: Reaction Mechanisms and Structure/Reactivity Relationships

Cite this

Halide abstraction competes with oxidative addition in the reactions of aryl halides with [Ni(PMe_nPh(_3-n))₄]