Elucidation of the Reactional Mechanisms Usingthe Indices of Fukui

Abstract

The cycloadditions of Diels-Alder are often used during the synthesis of natural substances. They allow, as private individuals, the formation (by bimolecular or intramolecular reaction) of a cycle with six atoms in a regioselective manner, while authorizing the presence of many functional groups. The recourse to molecular
modelling for the elucidation of the reactionaI mechanisms using
the indices of Fukui will contribute to the prediction of the reactional.
sites.