Alder-Ene Reaction: Aromaticity and Activation Strain Analysis

I. Fernandez, F.M. Bickelhaupt

Research output: Contribution to JournalArticleAcademicpeer-review


We have computationally explored the trend in reactivity of the Alder-ene reactions between propene and a series of seven enophiles using density functional theory at M06-2X/def2-TZVPP. The reaction barrier decreases along the enophiles in the order H
Original languageEnglish
Pages (from-to)509-516
JournalJournal of Computational Chemistry
Publication statusPublished - 2012


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