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 language | English |
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Pages (from-to) | 39-46 |
Journal | Journal of Molecular Catalysis |
Volume | 35 |
Issue number | 1 |
DOIs | |
Publication status | Published - 1 Jan 1986 |