Effect of oxygen electronic polarisability on catalytic reactions over oxides

H. Idriss, E. G. Seebauer

Research output: Contribution to journalArticlepeer-review

Abstract

This work examines two partial oxidation reactions over oxides (alcohols dehydrogenation to aldehydes and aldehydes esterification to esters) to determine how reaction rates can be quantitatively correlated with physical properties of the bulk catalysts. We show that while electronegativity difference, Δχ, metal-oxygen bond strength, EM-O. fail utterly, oxygen partial charge, qO, and oxygen Madelung potential, VMad(O), do provide limited correlations for the set of roughly twelve oxides examined. However, oxygen electronic polarisability, αO, does a much better job. We rationalise this finding in terms of the concept of chemical hardness in what appears to be the first successful application of this idea to oxide reactivity.

Original languageEnglish (US)
Pages (from-to)139-145
Number of pages7
JournalCatalysis Letters
Volume66
Issue number3
DOIs
StatePublished - Jun 2000

Keywords

  • Electronegativity difference
  • Ethanol dehydrogenation oxides
  • Madelung potential oxides
  • Oxygen polarisability
  • Tishchenko reaction oxides

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)

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