title: Radical Intermediates in the Jacobsen - Katsuki Epoxidation.
abstract: Insight into the controversial mechanism of the Mn - salen-catalyzed epoxidation of olefins is provided in a theoretical study based on density functional theory. The calculations suggest that radical species A, but not manganaoxetanes B, are likely candidates for viable intermediates.
authors.affiliation: Dipartimento di Chimica Università degli Studi di Napoli "Federico II" Via Mezzocannone 4, 80134 Napoli (Italy).
authors.initials: L
authors.lastname: Cavallo
authors.initials: H
authors.lastname: Jacobsen