Acid catalysis in cycloaddition reactions

J. Bertran, V. Branchadell, M. Duran, A. Oliva

Research output: Contribution to journalArticleResearchpeer-review

2 Citations (Scopus)

Abstract

By means of the MINDO/3 method, the effect of acid catalysis on a Diels-Alder and a polar 2+2 cycloaddition reactions has been studied. A proton and a NH3-solvated proton have been used as catalysts. The main effect of the catalyst is to change the mechanism of the studied reactions by increasing the two-step character of the processes. Charge transfer plays a decisive role in the change of the mechanism. The intervention of the geometrical parameters of the catalyst on the reaction coordinate is analysed. © 1984.
Original languageEnglish
Pages (from-to)191-196
JournalJournal of Molecular Structure: THEOCHEM
Volume107
Issue numberC
DOIs
Publication statusPublished - 1 Jan 1984

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