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Only_Fold_Catastrophes_Diels_Alder_Reaction (ChemRxiv).pdf (9.31 MB)

Are There Only Fold Catastrophes in the Diels–Alder Reaction Between Ethylene and 1,3–Butadiene?

preprint
submitted on 25.01.2021, 03:14 and posted on 27.01.2021, 10:22 by Leandro Ayarde-Henriquez, Cristian Guerra, Mario Duque-Noreña, Elizabeth Rincón, Patricia Pérez, Eduardo Chamorro
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 only of the fold type, i.e., C4H6 + C2H4 : 1–7– [FF]F[FF][FF][FF]F–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 Thom’s elementary catastrophe, namely the one–(state) variable, one–(control) parameter function.

Funding

FONDECYT 1181582

FONDECYT 1180348

History

Email Address of Submitting Author

echamorro@unab.cl

Institution

Universidad Andrés Bello

Country

Chile

ORCID For Submitting Author

0000-0002-9200-9859

Declaration of Conflict of Interest

There are no conflicts to declare.

Version Notes

v1 (11-12-2020)

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