Tesis doctorals> Departament de Química

Assembly and properties of polyoxometalates: a theoretical point of view

  • Identification data

    Identifier: TDX:907
    Authors:
    Vilà Nadal, Laia
    Abstract:
    Inorganic metal oxygen clusters, or polyoxometalates (POMs) for short, form a vast class of inorganic compounds that is unequaled in terms of their molecular and electronic structural versatility, reactivity, and relevance. POMs are formed by transition metals in high oxidation states (e.g. WVI, MoVI) surrounded by oxo-ligands. In the present thesis we have studied the formation mechanisms of POMs, initially we have analized the case of the well known Lindqvist anion [M6O19]2– when M= W, Mo. Afterwards, we have considered the effect of the heteroatom in the formation mechanism analyzing the case of the Keggin anion, [XM12O40]n– when M=W, Mo and X=P, As. We have used electrospray-ionization mass spectrometry (ESI-MS) in order to obtain experimental information of molecular oxide clusters in solution. We have also studied the rotational isomerism in the Dawson anion [X2M18O62]n– and finally we present our improvements in the study 183W NMR chemical shifts.
  • Others:

    Date: 2011-02-10
    Departament/Institute: Departament de Química Física i Inorgànica Universitat Rovira i Virgili.
    Language: eng
    Identifier: urn:isbn:9788469421703 http://hdl.handle.net/10803/31933
    Source: TDX (Tesis Doctorals en Xarxa)
    Author: Vilà Nadal, Laia
    Director: Poblet Rius, Josep Maria Rodríguez Fortea, Antonio
    Format: application/pdf 337 p.
    Publisher: Universitat Rovira i Virgili
    Keywords: Química computacional Mecanisme Polioxometalats
    Title: Assembly and properties of polyoxometalates: a theoretical point of view
    Subject: 546 - Química inorgànica 544 - Química física
  • Keywords:

    546 - Química inorgànica
    544 - Química física
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