Dutton-C2H2-2-revised-CEJ-Manuscript.doc (1.48 MB)
Download fileNHC-Stabilised Acetylene—How Far Can the Analogy Be Pushed?
journal contribution
posted on 2021-04-21, 06:16 authored by DC Georgiou, L Zhao, David WilsonDavid Wilson, G Frenking, Jason DuttonJason DuttonExperimental studies suggest that the compound (NHC ) C H can be considered as a complex of a distorted acetylene fragment which is stabilised by benzoannelated N-heterocyclic carbene ligands (NHC )→(C H )←(NHC ). 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 )=(C H )=(NHC ).
History
Publication Date
2017-01-01Journal
Chemistry - A European JournalVolume
23Issue
12Pagination
9p. (p. 2926-2934)Publisher
WileyISSN
0947-6539Rights Statement
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Keywords
Science & TechnologyPhysical SciencesChemistry, MultidisciplinaryChemistrybonding analysisdative bondingmetal carbene complexesquantum chemical calculationsN-HETEROCYCLIC CARBENEDIVALENT CARBON(0) COMPOUNDSMAIN-GROUP COMPOUNDSHEAVIER GROUP 14TRIPLET-OXYGENNATURAL ORBITALSMETALS SYNTHESISBONDING ANALYSISSINGLET-OXYGENDATIVE BONDSGeneral Chemistry