C10H8 Potential Energy Surface: The Azulene-to-Naphthalene Rearrangement

摘要

The azulene-to-naphthalene rearrangement (AN rearrangement) has been studied. All of the proposed unimolecular pathways have been examined in detail and found wanting. The results presented here agree with the first step of a mechanism proposed by Becker et al. A new mechanism is proposed for the rest of the reaction.