ORGN 629 |
| The mechanism for the kinetic resolution of terminal epoxides catalyzed by chiral Co(salen) has been proposed to proceed through a cooperative bimetallic pathway. We have explored the proposed mechanism using density functional theory (DFT) and high-level ab-initio techniques. We attempt to relate the enantioselectivity to the electronic properties of the catalyst as a way to guide the design of new systems with improved properties. |
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Physical Organic Chemistry: Calculations, Mechanisms, Photochemistry, and High-Energy Species
8:00 AM-12:00 PM, Thursday, 30 March 2006 Georgia World Congress Center -- C303, Oral
Division of Organic Chemistry |