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
The Author reserves all moral rights over the deposited text and must be credited if any re-use occurs. Documents deposited in OPAL are the Open Access versions of outputs published elsewhere. Changes resulting from the publishing process may therefore not be reflected in this document. The final published version may be obtained via the publisher’s DOI. Please note that additional copyright and access restrictions may apply to the published version.Publisher DOI
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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
