title: Proposal for the metallacycle pathway during the cyclopropanation catalyzed by cobalt-Schiff base complexes.
abstract: [reaction: see text] The density functional study of the cobalt(II) complex-catalyzed cyclopropanation revealed that the cobalt(II)-Schiff base complex without an ethylene bridge would be flexible enough to transform into the cis-beta conformer while approaching the olefin; consequently, the metallacycle pathway would be preferred, while the ethylene bridge would stabilize the planar conformer to allow reaction via the concerted mechanism.
authors.affiliation: Department of Chemistry, Faculty of Science and Technology, Keio University, Hiyoshi, Kohoku-ku, Yokohama 223-8522, Japan.
authors.forename: Izumi
authors.initials: I
authors.lastname: Iwakura
authors.forename: Taketo
authors.initials: T
authors.lastname: Ikeno
authors.forename: Tohru
authors.initials: T
authors.lastname: Yamada