Pseudopericyclic reactions

Date

1996-05

Journal Title

Journal ISSN

Volume Title

Publisher

Texas Tech University

Abstract

A novel class of reactions is investigated using ab initio methodology. This class of reactions was first defined by Lemal as pseudopericyclic. However, due to ambiguities with his original model the concept remained unexplored for several years. This study uses a model which Is free of the problems associated with Lemal's model. Pseudopericyclic reactions differ from the more typical pericyclic reactions. The distinguishing features are that electrostatic factors play a larger role in determining the activation barrier and the concept of allowed and forbidden do not apply since there is not a loop of interacting orbitals. The orbital topology about the loop dictates that the transition state for these reactions have a marked preference for planarity. Pseudopericyclic reactions may. in principle, have extremely low activation energies.

Description

Keywords

Quantum chemistry, Physical organic chemistry, Energy lends (Quantum mechanics), Molecular orbitals

Citation