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).
authors.affiliation: Department of Chemistry, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, 3086, Australia.
authors.forename: Dayne C
authors.initials: DC
authors.lastname: Georgiou
authors.affiliation: Institute of Advanced Synthesis, School of Chemistry and Molecular Engineering, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing Tech University, Nanjing, 211816, China.|Fachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Strasse 4, 35032, Marburg, Germany.
authors.forename: Lili
authors.initials: L
authors.lastname: Zhao
authors.affiliation: Department of Chemistry, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, 3086, Australia.
authors.forename: David J D
authors.initials: DJ
authors.lastname: Wilson
authors.affiliation: Institute of Advanced Synthesis, School of Chemistry and Molecular Engineering, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing Tech University, Nanjing, 211816, China.|Fachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Strasse 4, 35032, Marburg, Germany.|Donostia International Physics Center (DIPC), P.K. 1072, 20080, Donostia, Spain.
authors.forename: Gernot
authors.initials: G
authors.lastname: Frenking
authors.affiliation: Department of Chemistry, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, 3086, Australia.
authors.forename: Jason L
authors.initials: JL
authors.lastname: Dutton
keywords: bonding analysis; dative bonding; metal carbene complexes; quantum chemical calculations