Dehydrogenation of Methanol by Vanadium Oxide and Hydroxide Cluster Cations in the Gas Phase
✍ Scribed by Feyel, Sandra; Scharfenberg, Ludwig; Daniel, Charles; Hartl, Hans; Schröder, Detlef; Schwarz, Helmut
- Book ID
- 127303273
- Publisher
- American Chemical Society
- Year
- 2007
- Tongue
- English
- Weight
- 234 KB
- Volume
- 111
- Category
- Article
- ISSN
- 1089-5639
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## Abstract The ion/molecule reactions of selected alcohols with the vanadium oxide cations VO^+^ and VO~2~^+^ are studied by Fourier‐transform ion‐cyclotron resonance (FT‐ICR) mass spectrometry. Dehydrogenation is the dominating reaction pathway for methanol and allyl alcohols. With larger or less
## Abstract The interaction between a methane molecule and the VO^+^ cation in the gas phase has been investigated by means of single reference density functional (B3LYP) and wave function‐based multireference (MR) correlation calculations. For the latter, an extrapolation technique is used to eval