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NHC‐Stabilised Acetylene—How Far Can the Analogy Be Pushed?
Author(s) -
Georgiou Dayne C.,
Zhao Lili,
Wilson David J. D.,
Frenking Gernot,
Dutton Jason L.
Publication year - 2017
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201605495
Subject(s) - carbene , acetylene , analogy , chemistry , quantum chemical , stereochemistry , medicinal chemistry , crystallography , computational chemistry , molecule , organic chemistry , philosophy , catalysis , epistemology
Experimental studies suggest that the compound (NHC bz ) 2 C 2 H 2 can be considered as a complex of a distorted acetylene fragment which is stabilised by benzoannelated N ‐heterocyclic carbene ligands (NHC bz )→(C 2 H 2 )←(NHC bz ). 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 bz )=(C 2 H 2 )=(NHC bz ).
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