ORGN 895 |
| Structures of classical and nonclassical carbocations, as well as their complexes with ammonia, have been computed using hybrid HF-DFT and MP2 calculations in order to assess their relative stabilities and possible roles in the biosynthesis of terpenoids. Our calculations show that nonclassical structures can persist even when strong electron donors, such as NH3, surround them. Below we illustrate one such complex, which retains its nonclassical form in the presence of NH3.
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Physical Organic Chemistry: Calculations, Mechanisms, Photochemistry, and High-Energy Species
8:00 AM-12:00 PM, Thursday, 17 March 2005 Convention Center -- Room 11A, Oral
Division of Organic Chemistry |
