CHED 357 |
| Computer modeling of the catalytic effect of bis(oxazoline) copper(II) complexes on the rate and selectivity of Diels-Alder reactions has been performed. The steric and electronic effects of tert-butyl, isopropyl, and phenyl substitution are reported with regard to the reaction of cyclopentadiene and acrylate imide. The computer modeling provides a detailed physical understanding of how C2-substituent variation of the catalyst controls the rate and selectivity of the Diels-Alder reaction. The computations are in excellent agreement with available experimental data and a new fundamental understanding of bis(oxazoline) copper(II) catalytic action will be discussed. |
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Undergraduate Research Poster Session: Organic Chemistry
11:00 AM-1:00 PM, Monday, 27 March 2006 Georgia World Congress Center -- Ex. Hall B4, Poster
Sci-Mix: LSAMP/REU Poster Session
Division of Chemical Education |