jp1c01448_si_001.pdf (3.27 MB)
Are There Only Fold Catastrophes in the Diels–Alder Reaction Between Ethylene and 1,3-Butadiene?
journal contribution
posted on 2021-05-12, 09:43 authored by Leandro Ayarde-Henríquez, Cristian Guerra, Mario Duque-Noreña, Elizabeth Rincón, Patricia Pérez, Eduardo ChamorroThis
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 F†), that is, C4H6 + C2H4:1–7–[FF]F[F†F†][F†F†][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.