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Dipl.-Chem. Nicolas Dietl, Dr. Xinhao Zhang, Dipl.-Chem. Christian van der Linde, Prof. Dr. Martin K. Beyer, Dr. Maria Schlangen and Prof. Dr. Helmut Schwarz Gas-Phase Reactions of Cationic Vanadium-Phosphorus Oxide Clusters with C2Hx (x=4, 6): A DFT-Based Analysis of Reactivity Patterns Chemistry - A European Journal 19

Version of Record online: 15 JAN 2013 | DOI: 10.1002/chem.201203050

Thumbnail image of graphical abstract

A glimpse behind the scenes! The reactivities of the vanadium-phosphorus oxide cluster ions [VxP4−xO10].+ (x=0, 2–4) towards hydrocarbons have been investigated by means of density functional theory. More complex oxidation processes, such as oxygen-atom transfer to, or oxidative dehydrogenation of the hydrocarbons (see figure) require the presence of a vanadium atom to bring about the 2e reduction of the cationic clusters.

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