Nucleation Mechanisms of Molecular Oxides: A Study of the Assembly–Dissassembly of [W6O19]2− by Theory and Mass Spectrometry

Authors

  • Laia Vilà-Nadal,

    1. Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, c/Marcel⋅í Domingo s/n, 43007 Tarragona (Spain), Fax: (+34) 977-559-569
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  • Antonio Rodríguez-Fortea Dr.,

    1. Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, c/Marcel⋅í Domingo s/n, 43007 Tarragona (Spain), Fax: (+34) 977-559-569
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  • Li-Kai Yan Dr.,

    1. Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, c/Marcel⋅í Domingo s/n, 43007 Tarragona (Spain), Fax: (+34) 977-559-569
    2. Current Address: Institute of Functional Material Chemistry, Department of Chemistry, Northeast Normal University, Changchun 130024 (China).
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  • Elizabeth F. Wilson,

    1. Department of Chemistry, The University of Glasgow, University Avenue, Glasgow G12 8QQ, Scotland (UK), Fax: (+44) 141-330-4888
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  • Leroy Cronin Prof. Dr.,

    1. Department of Chemistry, The University of Glasgow, University Avenue, Glasgow G12 8QQ, Scotland (UK), Fax: (+44) 141-330-4888
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  • Josep M. Poblet Prof. Dr.

    1. Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, c/Marcel⋅í Domingo s/n, 43007 Tarragona (Spain), Fax: (+34) 977-559-569
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  • We acknowledge support from the MEC of Spain (project CTQ2008-06549-C02-01/BQU and the Ramón y Cajal Program (A.R.F.)), the DGR of the Autonomous Government of Catalonia (2005SGR-00104), the EPSRC, and Bruker Daltonics. Part of the computer resources were provided by the Barcelona Supercomputing Center (Centro Nacional de Supercomputación).

Abstract

original image

Schritt für Schritt: Die kombinierte Anwendung von ESI-Massenspektrometrie und DFT-Rechnungen führte zu einem Mechanismusvorschlag für die Bildung des Lindqvist-Anions. Der Mechanismus umfasst analoge Stufen, jeweils bestehend aus der Anlagerung eines Hydrogenwolframat-Anions, Protonierung und Abspaltung von H2O. Das Lindqvist-Anion ist nach fünf solcher Stufen komplett.

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