Title: Infrared spectroscopic characterization of the oxidative dehydrogenation of propane by V4O10+
Authors: Wende, Torsten
Doebler, Jens
Jiang, Ling
Claes, Pieterjan
Janssens, Ewald
Lievens, Peter
Meijer, Gerard
Asmis, Knut R ×
Sauer, Joachim #
Issue Date: Nov-2010
Publisher: Elsevier
Series Title: International Journal of Mass Spectrometry vol:297 issue:1-3 pages:102-106
Abstract: 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. (C) 2010 Elsevier B.V. All rights reserved.
ISSN: 1387-3806
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Solid State Physics and Magnetism Section
× corresponding author
# (joint) last author

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