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

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

Research output: Contribution to journalArticlepeer-review

59 Scopus citations

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).

Original languageEnglish
Pages (from-to)2926-2934
Number of pages9
JournalChemistry - A European Journal
Volume23
Issue number12
DOIs
StatePublished - 24 Feb 2017

Keywords

  • bonding analysis
  • dative bonding
  • metal carbene complexes
  • quantum chemical calculations

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