CaltechAUTHORS
Published September 2009 | Version Accepted Version + Supplemental Material
Journal Article Open

A bonding model for gold(I) carbene complexes

Creators

  • 1. ROR icon California Institute of Technology
  • 2. ROR icon University of California, Berkeley

Abstract

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.

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.

Attached Files

Accepted Version - nihms132396.pdf

Supplemental Material - Beniteznchem.331-s1.pdf

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Beniteznchem.331-s1.pdf

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Additional details

Identifiers

PMCID
PMC2748951
Eprint ID
15645
DOI
10.1038/nchem.331
Resolver ID
CaltechAUTHORS:20090908-083702730

Related works

Describes
10.1038/nchem.331 (DOI)

Funding

NIH
Bristol-Myers Squibb
Novartis
Army Research Office (ARO)
Office of Naval Research (ONR)

Dates

Created
2009-09-11
Created from EPrint's datestamp field
Updated
2021-11-08
Created from EPrint's last_modified field