Theoretical study of the mechanism of the 1,3-dipolar cycloadditions

J. M. Lluch, J. Bertrán

Research output: Contribution to journalArticleResearchpeer-review

16 Citations (Scopus)


By means of the MINDO/3 method the potential energy hypersurfaces for the 1,3-dipolar cycloadditions of carbonyl and azomethine ylides to ethylene have been studied. In the first place, the synchronous formation of the two new sigma bonds has been considered. In the second place, the asynchronous region of the surface has been explored. The asynchronous mechanism appears to be more favourable, there being two transition states and an intermediate. Finally, the physical meaning of the results obtained is discussed. © 1979.
Original languageEnglish
Pages (from-to)2601-2606
Issue number21
Publication statusPublished - 1 Jan 1979


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