The role of proton transfer in acid-catalyzed diels-alder reactions: A theoretical study

V. Branchadell, A. Oliva, J. Bertrán

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Abstract

The role of proton transfer in the mechanism of Diels-Alder reactions of acrolein with 1-hydroxybutadiene and 1-methylbutadiene catalyzed by NH4+ is theoretically studied by means of the MINDO/3 method. It is found that the catalyst strengthens the asynchronous formation of the two new C-C bonds. In the catalyzed reaction these bonds are formed in two clearly differentiated steps, through a stable intermediate, in which there is a total proton transfer from the catalyst to the dienophile. © 1986.
Original languageEnglish
Pages (from-to)39-46
JournalJournal of Molecular Catalysis
Volume35
Issue number1
DOIs
Publication statusPublished - 1 Jan 1986

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