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

David J. Nelson, Feliu Maseras

Pure And Applied Chemistry

Research output: Contribution to journal › Letter

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

Original language	English
Pages (from-to)	1-3
Number of pages	3
Journal	Chemical Communications
Publication status	Accepted/In press - 29 Aug 2018

Keywords

sterc impact
nickel catalysis

Access to Document

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

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

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Data for: "Halide abstraction competes with oxidative addition in the reactions of aryl halides with [Ni(PMenPh(3-n))4]"
Funes-Ardoiz, I. (Creator), Nelson, D. (Creator) & Maseras, F. (Creator), 3 Jul 2019
DOI: 10.19061/iochem-bd-1-55, https://doi.org/10.1002/chem.201702331
Dataset

1 Article

Halide abstraction competes with oxidative addition in the reactions of aryl halides with [Ni(PMe_nPh(_3-n))₄]
Funes-Ardoiz, I., Nelson, D. J. & Maseras, F., 27 Nov 2017, In : Chemistry - A European Journal. 23, 66, p. 16728-16733 6 p.
Research output: Contribution to journal › Article

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25 Citations (Scopus)

27 Downloads (Pure)

2 Invited talk

Understanding Oxidative Addition to Nickel(0): Implications for Cross-Coupling Catalysis
David Nelson (Speaker)
11 Oct 2019
Activity: Talk or presentation types › Invited talk
Nickel(0) Complexes and Aryl Halides: Reaction Mechanisms and Structure/Reactivity Relationships
David Nelson (Keynote speaker)
10 Jul 2018
Activity: Talk or presentation types › Invited talk

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 thearyl halide and favour the halide abstraction to form NiI.",

keywords = "sterc impact, nickel catalysis",

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

year = "2018",

month = aug,

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language = "English",

pages = "1--3",

journal = "Chemical Communications",

issn = "1359-7345",

publisher = "Royal Society of Chemistry",

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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

JF - Chemical Communications

SN - 1359-7345

ER -

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

Abstract

Keywords

Access to Document

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(PMenPh(3-n))4]

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

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]