An analysis of the torquoselectivity effect in a ring-opening reaction through Fermi–Dirac’s entropy: revealing the origin of the stereoselectivity.

Abstract

This work analyzed the electrocyclic ring-opening reaction of the 3cyanclobutene (3-CN-cyclobutene) through Fermi-Dirac's entropy. This chemical reaction is linked to an important concept called torquoselectivity, our results show that beyond the bond-breaking process in this reaction, a specific atom is responsible for the stereoselectivity observed in this reaction.