Are There Only Fold Catastrophes in the Diels-Alder Reaction Between Ethylene and 1,3-Butadiene?
Abstract
This work revisits the topological characterization of the Diels-Alder reaction between 1,3-butadiene and ethylene. In contrast to the currently accepted rationalization, we here provide strong evidence in support of a representation in terms of seven structural stability domains separated by a sequence of 10 elementary catastrophes, but all are only of the fold type (F and Fâ ), that is, C4H6+ C2H4:1-7-[FF]F[Fâ Fâ ][Fâ Fâ ][FF]Fâ -0: C6H10. Such an unexpected finding provides fundamental new insights opening simplifying perspectives concerning the rationalization of the CC bond formation in pericyclic reactions in terms of the simplest Thomâs elementary catastrophe, namely, the one-(state) variable, one-(control) parameter function.
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| Título según WOS: | Are There Only Fold Catastrophes in the Diels-Alder Reaction Between Ethylene and 1,3-Butadiene? |
| Título según SCOPUS: | Are There Only Fold Catastrophes in the Diels-Alder Reaction between Ethylene and 1,3-Butadiene? |
| Título de la Revista: | Journal of Physical Chemistry A |
| Volumen: | 125 |
| Número: | 23 |
| Editorial: | American Chemical Society |
| Fecha de publicación: | 2021 |
| Página final: | 5165 |
| Idioma: | English |
| DOI: |
10.1021/acs.jpca.1c01448 |
| Notas: | ISI, SCOPUS |