Understanding the M{single bond}(NHC) (NHC = N-heterocyclic carbene) bond

Heiko Jacobsen; Andrea Correa; Albert Poater; Chiara Costabile; Luigi Cavallo

doi:10.1016/j.ccr.2008.06.006

Understanding the M{single bond}(NHC) (NHC = N-heterocyclic carbene) bond

Heiko Jacobsen, Andrea Correa, Albert Poater, Chiara Costabile, Luigi Cavallo^*

^*Corresponding author for this work

Physical Sciences and Engineering

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

656 Scopus citations

Abstract

N-heterocyclic carbenes (NHC) is a well established class of new ligands in organometallic chemistry. Their use as ligands in many reactions catalyzed by transition metal complexes has stimulated intensive research to understand the unique features of the M{single bond}(NHC) bond. This review is aimed to provide an overview of the main contributions achieved by the application of advanced computational techniques.

Original language	English (US)
Pages (from-to)	687-703
Number of pages	17
Journal	Coordination Chemistry Reviews
Volume	253
Issue number	5-6
DOIs	https://doi.org/10.1016/j.ccr.2008.06.006
State	Published - Jan 1 2009

Keywords

DFT methods
M{single bond}ligand bond
N-heterocyclic carbenes
Transition metals

ASJC Scopus subject areas

General Chemistry
Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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10.1016/j.ccr.2008.06.006

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abstract = "N-heterocyclic carbenes (NHC) is a well established class of new ligands in organometallic chemistry. Their use as ligands in many reactions catalyzed by transition metal complexes has stimulated intensive research to understand the unique features of the M{single bond}(NHC) bond. This review is aimed to provide an overview of the main contributions achieved by the application of advanced computational techniques.",

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AU - Cavallo, Luigi

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N2 - N-heterocyclic carbenes (NHC) is a well established class of new ligands in organometallic chemistry. Their use as ligands in many reactions catalyzed by transition metal complexes has stimulated intensive research to understand the unique features of the M{single bond}(NHC) bond. This review is aimed to provide an overview of the main contributions achieved by the application of advanced computational techniques.

AB - N-heterocyclic carbenes (NHC) is a well established class of new ligands in organometallic chemistry. Their use as ligands in many reactions catalyzed by transition metal complexes has stimulated intensive research to understand the unique features of the M{single bond}(NHC) bond. This review is aimed to provide an overview of the main contributions achieved by the application of advanced computational techniques.

KW - DFT methods

KW - M{single bond}ligand bond

KW - N-heterocyclic carbenes

KW - Transition metals

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ER -

Understanding the M{single bond}(NHC) (NHC = N-heterocyclic carbene) bond

Abstract

Keywords

ASJC Scopus subject areas

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