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 language | English |
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Pages (from-to) | 2926-2934 |
Number of pages | 9 |
Journal | Chemistry - A European Journal |
Volume | 23 |
Issue number | 12 |
DOIs | |
State | Published - 24 Feb 2017 |
Keywords
- bonding analysis
- dative bonding
- metal carbene complexes
- quantum chemical calculations