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Comparative theoretical study of N-heterocyclic carbenes and other ligands bound to Au(I).

作者信息

Pyykkö Pekka, Runeberg Nino

机构信息

Department of Chemistry, University of Helsinki, P.O. Box 55, 00014 Helsinki, Finland.

出版信息

Chem Asian J. 2006 Oct 20;1(4):623-8. doi: 10.1002/asia.200600181.

DOI:10.1002/asia.200600181
PMID:17441102
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 CN2 model is also introduced for the NHCs.

摘要

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