Ethene Epoxidation Selectivity Inhibited by Twisted Oxametallacycle: A DFT Study on Ag Surface-Oxide.
Competitive ethene oxidation pathways are presented for a p(4 x 4) surface-oxide phase on Ag(111) obtained from density functional theory (DFT) calculations. Both parallel routes are found to proceed from a common oxametallacycle intermediate (OMME) in agreement with previous mechanistic studies on...
| Publicado en: | Journal of the American Chemical Society Vol. 127; no. 49; pp. 17207 - 17216 |
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| Autores principales: | , |
| Formato: | Artículo |
| Publicado: |
American Chemical Society
12/14/2005
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| Acceso en línea: | Ver este registro en EBSCOhost |