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Structure, Bonding, and Reactivity of Reactant Complexes and Key Intermediates

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Computational Mechanisms of Au and Pt Catalyzed Reactions

Part of the book series: Topics in Current Chemistry ((TOPCURRCHEM,volume 302))

Abstract

Complexes of Pt and Au (gold(III) and cationic gold(I)) have shown an exceptional ability to promote a variety of organic transformations of unsaturated precursors due to their peculiar Lewis acid properties: the alkynophilic character of these soft metals and the π-acid activation of unsaturated groups promotes the intra- or intermolecular attack of a nucleophile. In this chapter we summarize the computational data reported on the structure, bonding, and reactivity of the reactant π-complexes and also on the key intermediate species.

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Notes

  1. 1.

    For a 14-electron Au(I)-phosphine-(η2-alkyne) complex, see [102].

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Acknowledgments

ES thanks the Spanish MICINN (Project CTQ2009-10478) for financial support.

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  1. Laboratorio de Radicales Libres y Química Computacional, Instituto de Química Orgánica General (CSIC), Juan de la Cierva, 3, 28006, Madrid, Spain

    Elena Soriano & José Marco-Contelles

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  2. José Marco-Contelles
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  1. Inst. Química Orgánica General (IQOG), CSIC Madrid, C\ Juan de la Cierva 3, Madrid, 28006, Spain

    Elena Soriano

  2. Inst. Química Orgánica General (IQOG), CSIC Madrid, C\ Juan de la Cierva 3, Madrid, 28006, Spain

    José Marco-Contelles

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Soriano, E., Marco-Contelles, J. (2011). Structure, Bonding, and Reactivity of Reactant Complexes and Key Intermediates. In: Soriano, E., Marco-Contelles, J. (eds) Computational Mechanisms of Au and Pt Catalyzed Reactions. Topics in Current Chemistry, vol 302. Springer, Berlin, Heidelberg. https://doi.org/10.1007/128_2010_115

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