Theoretical, spectroscopic, and mechanistic studies on transition-metal dinitrogen complexes : implications to reactivity and relevance to the nitrogenase problem
Dinitrogen complexes of transition metals exhibit different binding geometries of N2 (end-on terminal, end-on bridging, side-on bridging, side-on end-on bridging), which are investigated by spectroscopy and DFT calculations, analyzing their electronic structure and reactivity. For comparison, a bis(...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 27(2006), 12 vom: 15. Sept., Seite 1278-91 |
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| Format: | Aufsatz |
| Sprache: | English |
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2006
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article Research Support, Non-U.S. Gov't Molybdoferredoxin Transition Elements Ammonia 7664-41-7 Nitrogenase EC 1.18.6.1 Nitrogen N762921K75 |