title: Conrotatory ring-opening reactions of cyclopropyl anions in monocyclic and tricyclic systems.
abstract: [reaction: see text] Only conrotatory transition structures were located by B3LYP6-311++G(3df, 2p) computations for the electrocyclic ring opening of cyclopropyl anions having different substituents (H, Me, CN). The transition structure for the similarly substituted cyclopropyl anion fused to a bicyclic system exhibits the same features, in apparent contradiction with the observed product. A reaction path where the direction of twist changes after the transition state provides an explanation alternative to those proposed in recent reports.
authors.affiliation: Departamento de Química Orgánica, Facultad de Química, Universidad de Vigo, Lagoas-Marcosende s/n, 36200 Vigo, Spain.
authors.forename: Olalla Nieto
authors.initials: ON
authors.lastname: Faza
authors.forename: Carlos Silva
authors.initials: CS
authors.lastname: López
authors.forename: Rosana
authors.initials: R
authors.lastname: Alvarez
authors.forename: Angel R
authors.initials: AR
authors.lastname: de Lera