Theoretical Studies of Eliminations. 5. Intermolecular vs Intramolecular Eliminations: An ab Initio Study of the Gas-Phase Reaction of NH2 - with CH3CH2SCH3
Ab initio calculations at the MP2/6-31+G**//MP2/6-31+G* level have been completed on the title reaction. The computational results are in good accord with a mechanism suggested by Nibbering and co-workers in 1987. The preferred elimination pathway involves abstraction of an α-proton followed by an i...
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| Veröffentlicht in: | Journal of organic chemistry 1996-12, Vol.61 (26), p.9430-9433 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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