Understanding the reactivity of captodative ethylenes in polar cycloaddition reactions. A theoretical study.

@article{Domingo2008UnderstandingTR,
  title={Understanding the reactivity of captodative ethylenes in polar cycloaddition reactions. A theoretical study.},
  author={Luis R. Domingo and Eduardo Chamorro and Patricia P{\'e}rez},
  journal={The Journal of organic chemistry},
  year={2008},
  volume={73 12},
  pages={4615-24}
}
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 toward a nucleophilically activated ethylene, 2-methylene-1,3-dioxolane, and an electrophilically activated ethylene, 1,1-dicyanoethyelene, have been studied, and their electronic structures have been… CONTINUE READING
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