Comparative theoretical study of N-heterocyclic carbenes and other ligands bound to Au(I).
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 CN2 model is also introduced for the NHCs.
Pyykkö
Pekka
P
Department of Chemistry, University of Helsinki, P.O. Box 55, 00014 Helsinki, Finland. Pekka.Pyykko@helsinki.fi
Runeberg
Nino
N