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Dr. Paola Nava, Dr. Denis Hagebaum-Reignier and Prof. Stéphane Humbel Bonding of Gold with Unsaturated Species ChemPhysChem 13

Version of Record online: 13 APR 2012 | DOI: 10.1002/cphc.201101065

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Differences in bonding nature between [AuCl(S)] and [Au(PR3)(S)]+/ [Au(NHC)(S)]+ (NHC=N-heterocyclic carbene, S=alkene or alkyne) complexes are studied theoretically for understanding the activity of gold(I) catalysts. For example, the picture shows energies of formation of [AuCl(S)] (A) and [Au(PH3)(S)]+ (B) for various alkenes (S=16) and alkynes (S=713).

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