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Electronic Structure of Vanadia Systems: Systematic Theoretical Studies

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Metal-Ligand Interactions in Chemistry, Physics and Biology

Part of the book series: NATO Science Series ((ASIC,volume 546))

Abstract

Vanadia (V2O5) containing systems are widely used as components of catalysts in industrial processes to yield valuable chemical products [1-3]. Catalytically enforced reactions involving V2O5 include mild oxidation, ammoxidation and dehydrogenation of hydrocarbons and other organic compounds, oxidation of SO2 to SO3, naphthalene or oxylene to phthalic anhydride and more recently n-butane to maleic anhydride. Vanadia catalysts also seem promising for the oxidation of toluene to benzaldehyde, methanol to formaldehyde and to methyl formate, as well as for the removal of NOX by selective reduction with NH3. From a theoretical point of view vanadia containing compounds form a large class of systems with very complex geometrical as well as physical and chemical properties which are still at the beginning of being understood at a microscopic level.

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Authors and Affiliations

  1. Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences, ul. Niezapominajek, 30 239, Cracow, Poland

    M. Witko & R. Tokarz

  2. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14 195, Berlin, Germany

    M. Witko, K. Hermann, R. Tokarz, R. Druzinic & A. Chakrabarti

Authors
  1. M. Witko
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  2. K. Hermann
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  3. R. Tokarz
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  4. R. Druzinic
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  5. A. Chakrabarti
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Editor information

Editors and Affiliations

  1. Dipartimento di Chimica, Università della Calabria, Arcavacata di Rende, Italy

    Nino Russo

  2. Steacie Institute for Molecular Sciences, National Research Council Canada, Ottawa, Ontario, Canada

    Dennis R. Salahub

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© 2000 Springer Science+Business Media Dordrecht

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Witko, M., Hermann, K., Tokarz, R., Druzinic, R., Chakrabarti, A. (2000). Electronic Structure of Vanadia Systems: Systematic Theoretical Studies. In: Russo, N., Salahub, D.R. (eds) Metal-Ligand Interactions in Chemistry, Physics and Biology. NATO Science Series, vol 546. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-4245-8_19

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  • DOI: https://doi.org/10.1007/978-94-011-4245-8_19

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-0-7923-6126-8

  • Online ISBN: 978-94-011-4245-8

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