Effect of oxygen electronic polarisability on catalytic reactions over oxides

Hicham Idriss, E G Seebauer

Research output: Contribution to journalArticle

26 Citations (Scopus)

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, Delta chi, metal-oxygen bond strength, EM-O, fail utterly, oxygen partial charge, q(O), and oxygen Madelung potential, V-Mad (O), do provide limited correlations for the set of roughly twelve oxides examined. However, oxygen electronic polarisability, alpha(O), 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
Pages (from-to)139-145
Number of pages7
JournalCatalysis Letters
Volume66
Issue number3
DOIs
Publication statusPublished - 2000

Keywords

  • oxygen polarisability
  • ethanol dehydrogenation oxides
  • Tishchenko reaction oxides
  • Madelung potential oxides
  • electronegativity difference
  • ALKALINE-EARTH OXIDES
  • H BOND ACTIVATION
  • AUGER PARAMETERS
  • OXIDATION
  • AMMOXIDATION
  • PROPANE
  • ETHANOL
  • CO2
  • ELECTRONEGATIVITY
  • DEHYDROGENATION

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