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Comparative Theoretical Study of N‐Heterocyclic Carbenes and Other Ligands Bound to Au I
Author(s) -
Pyykkö Pekka,
Runeberg Nino
Publication year - 2006
Publication title -
chemistry – an asian journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.18
H-Index - 106
eISSN - 1861-471X
pISSN - 1861-4728
DOI - 10.1002/asia.200600181
Subject(s) - moiety , carbene , chemistry , stereochemistry , medicinal chemistry , combinatorial chemistry , catalysis , organic chemistry
Abstract The bonding strength of N‐heterocyclic carbene (NHC) ligands to a neutral AuCl test moiety are compared to that of several phosphanes and other ligands. Of the ligands studied, the NHCs clearly form the strongest bonds to AuCl. A simplified triangular CN 2 model is also introduced for the NHCs.