Theoretical study of polar 2 + 2 cycloadditions

Miguel Durán, Juan Bertrán

Research output: Contribution to journalArticleResearchpeer-review

9 Citations (Scopus)


By means of the MINDO/3 method the polar 2 + 2 cycloaddition of hydroxyethylene to 1,1-dicyanoethylene and the dimerization of ethylene have been studied. For the polar reaction the transition state has dipolar character, while for the non-polar reaction it has a tricentric structure. The reaction mechanism and the importance of charge transfer are discussed.
Original languageEnglish
Pages (from-to)681-685
JournalJournal of the Chemical Society, Perkin Transactions 2 (2001)
Issue number6
Publication statusPublished - 1 Dec 1982


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