Simple Molecular Orbital Explanation for “Bay-Region” Carcinogenic Reactivity

Abstract

Polycyclic aromatic hydrocarbons containing a “bay region” form triol carbonium ions with special ease. This is shown to be due to the fact that such ions can have the -CH+- group of the triol ring attached to a carbon atom which is a nearest neighbor to a ring fusion site. © 1981, American Chemical Society. All rights reserved.