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EnglishThe 1,3-dipolar cycloaddition of C-(hetaryl) nitrones with electron-poor and electron-rich alkenes is rationalized. The energetics of the cycloaddition reactions have been investigated through molecular orbital calculations at the B3LYP/6-31-G(d) theory level. By studying different reaction channels and reagent conformations the regio- and stereochemical preferences of the reaction are discussed.
The 1,3-dipolar cycloaddition of C-(hetaryl) nitrones with electron-poor and electron-rich alkenes is rationalized. The energetics of the cycloaddition reactions have been investigated through molecular orbital calculations at the B3LYP/6-31-G(d) theory level. By studying different reaction channels and reagent conformations the regio- and stereochemical preferences of the reaction are discussed
| Titolo: | A DFT Study on the 1,3-Dipolar Cycloaddition Reactions of C-(Hetaryl) Nitrones with Methyl Acrylate and Vinyl Acetate |
| Autori interni: | |
| Data di pubblicazione: | 2007 |
| Rivista: | |
| Handle: | http://hdl.handle.net/20.500.11769/5946 |
| Appare nelle tipologie: | 1.1 Articolo in rivista |
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