NHC-Stabilised Acetylene—How Far Can the Analogy Be Pushed?

Dayne C. Georgiou; Lili Zhao; David J.D. Wilson; Gernot Frenking; Jason L. Dutton

doi:10.1002/chem.201605495

NHC-Stabilised Acetylene—How Far Can the Analogy Be Pushed?

Dayne C. Georgiou, Lili Zhao, David J.D. Wilson, Gernot Frenking, Jason L. Dutton

School of Chemistry and Moleculai Engineering

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

59 Scopus citations

Abstract

Experimental studies suggest that the compound (NHC^bz)₂C₂H₂can be considered as a complex of a distorted acetylene fragment which is stabilised by benzoannelated N-heterocyclic carbene ligands (NHC^bz)→(C₂H₂)←(NHC^bz). A quantum chemical analysis of the electronic structures shows that the description with dative bonds is more favourable than with electron-sharing double bonds (NHC^bz)=(C₂H₂)=(NHC^bz).

Original language	English
Pages (from-to)	2926-2934
Number of pages	9
Journal	Chemistry - A European Journal
Volume	23
Issue number	12
DOIs	https://doi.org/10.1002/chem.201605495
State	Published - 24 Feb 2017

Keywords

bonding analysis
dative bonding
metal carbene complexes
quantum chemical calculations

Access to Document

10.1002/chem.201605495

Cite this

@article{4ee57f49a96440edba5ecf8ff5d12292,

title = "NHC-Stabilised Acetylene—How Far Can the Analogy Be Pushed?",

abstract = "Experimental studies suggest that the compound (NHCbz)2C2H2can be considered as a complex of a distorted acetylene fragment which is stabilised by benzoannelated N-heterocyclic carbene ligands (NHCbz)→(C2H2)←(NHCbz). A quantum chemical analysis of the electronic structures shows that the description with dative bonds is more favourable than with electron-sharing double bonds (NHCbz)=(C2H2)=(NHCbz).",

keywords = "bonding analysis, dative bonding, metal carbene complexes, quantum chemical calculations",

author = "Georgiou, {Dayne C.} and Lili Zhao and Wilson, {David J.D.} and Gernot Frenking and Dutton, {Jason L.}",

note = "Publisher Copyright: {\textcopyright} 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim",

year = "2017",

month = feb,

day = "24",

doi = "10.1002/chem.201605495",

language = "英语",

volume = "23",

pages = "2926--2934",

journal = "Chemistry - A European Journal",

issn = "0947-6539",