Infrared Spectroscopic Characterization of the Oxidative Dehydrogenation of Propane by V4O10

نویسندگان

  • Torsten Wende
  • Jens Döbler
  • Ling Jiang
  • Pieterjan Claes
  • Ewald Janssens
  • Peter Lievens
  • Gerard Meijer
  • Knut R. Asmis
  • Joachim Sauer
چکیده

The gas phase reaction of V4O10 with propane is studied by infrared photodissociation spectroscopy combined with density functional calculations. Mass-selected V4O10 clusters react with propane under thermalized, multiple collision conditions in a buffer gas filled ion trap at 100 K. Two main reaction paths are identified: (i) oxidative dehydrogenation forming V4O8(OH)2 + propene and (ii) direct dissociation leading to formation of C3H7 + V4O9OH. Formation of propene is effectively barrierless in the case that the initial H-atom is abstracted from a secondary C-atom. The present results highlight the additional structural information that can be gained from vibrational spectroscopy in comparison to a purely mass spectrometric characterization.

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تاریخ انتشار 2012