Understanding the Reactivity of Captodative Ethylenes in Polar Cycloaddition Reactions. A Theoretical Study

R. Domingo, Luís; Chamorro, Eduardo; Pérez, Patricia

doi:10.1021/jo800572a

Public

Understanding the Reactivity of Captodative Ethylenes in Polar Cycloaddition Reactions. A Theoretical Study

Published in The Journal of Organic Chemistry • May 17, 2008

Authors:

Luís R. Domingo

Eduardo Chamorro

Patricia Pérez

Abstract

The electrophilic/nucleophilic character of a series of captodative (CD) ethylenes involved in polar cycloaddition reactions has been studied using DFT methods at the B3LYP/6-31G(d) level of theory. The transition state structures for the electrophilic/nucleophilic interactions of two CD ethylenes t...

Subject

Nucleophile

Reactivity (psychology)

Electrophile

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