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A bonding model for gold(I) carbene complexes

Benitez, Diego and Shapiro, Nathan D. and Tkatchouk, Ekaterina and Wang, Yiming and Goddard, William A., III and Toste, F. Dean (2009) A bonding model for gold(I) carbene complexes. Nature Chemistry, 1 (6). pp. 482-486. ISSN 1755-4330. PMCID PMC2748951.

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An analysis of key intermediates relevant to gold(I) catalysis has been performed using density functional theory. A bonding model is proposed whereby the reactivity of gold(I)-coordinated carbenes is dependent on carbene substituents and ancillary ligands that dictate where these gold structures lie on a continuum ranging from a metal-stabilized singlet carbene to a metal-coordinated carbocation.

Item Type:Article
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URLURL TypeDescription ReadCube access CentralArticle
Goddard, William A., III0000-0003-0097-5716
Toste, F. Dean0000-0001-8018-2198
Additional Information:© 2009 Nature Publishing Group. Received 1 June 2009; Accepted 14 July 2009; Published online 16 August 2009. F.D.T. acknowledges NIHGMS, Bristol-Myers Squibb and Novartis for funding, and J. Matthey for the donation of AuCl3. The MSC computational facilities were funded by grants from ARO-DURIP and ONR-DURIP. D.B. and E.T. thank R. Nielsen for useful suggestions. Author Contributions: D.B., N.D.S. and F.D.T. originated the idea and wrote the manuscript, N.D.S. and Y.W. performed the experiments, D.B. and E.T. performed the calculations, all authors contributed to discussions and edited the manuscript. D.B. and N.D.S. contributed equally to this work.
Funding AgencyGrant Number
Bristol-Myers SquibbUNSPECIFIED
Army Research Office (ARO)UNSPECIFIED
Office of Naval Research (ONR)UNSPECIFIED
Issue or Number:6
PubMed Central ID:PMC2748951
Record Number:CaltechAUTHORS:20090908-083702730
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:15645
Deposited By: George Porter
Deposited On:11 Sep 2009 16:58
Last Modified:28 Oct 2019 18:21

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