Thermal Activation of Methane by Tetranuclear [V4O10]+
✍ Scribed by Sandra Feyel; Jens Döbler; Detlef Schröder; Joachim Sauer; Helmut Schwarz
- Publisher
- John Wiley and Sons
- Year
- 2006
- Tongue
- English
- Weight
- 230 KB
- Volume
- 45
- Category
- Article
- ISSN
- 0044-8249
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## CÀC coupling • CÀH activation • gas-phase reactions • metal ions • methane Methane is one of the most ubiquitous feedstocks available in large amounts from petrological as well as biogenic resources. Its economic use for purposes other than mere combustion remains a conceptual problem, however.
A computational investigation of methane activation by Hg II Ž . complexes is reported. Calculated geometries and energetics of Hg II -containing reactants and products are consistent with available experimental data for a wide range of diverse ligand types. Calculated reaction enthalpies and activa