NHC-Stabilised Acetylene—How Far Can the Analogy Be Pushed?
journal contributionposted on 21.04.2021, 06:16 by DC Georgiou, L Zhao, David Wilson, G Frenking, Jason Dutton
Experimental 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 ).
JournalChemistry - A European Journal
Pagination9p. (p. 2926-2934)
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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