title: The oxidative mechanism in electrophilic C-H activation: the case of CH2F2 and CH2Cl2.
abstract: The H(.)-atom transfer (HAT) reaction is investigated in the gas phase, starting from two different entrance channels, O(2)(.+)/CH(2)X(2) and CH(2)X(2)(.+)/O(2) (X=F, Cl), that correspond to a step of hydride transfer and to HAT, respectively. Analysis of the spin and charge along the reaction pathway shows that HAT occurs through the same reacting configuration, irrespective of whether the reactants are formed within the complex or are free isolated species.
authors.affiliation: Dipartimento di Chimica e Tecnologie del Farmaco, Sapienza University of Rome, P.le Aldo Moro 5, 00185 Roma, Italy. giulia.depetris@uniroma1.it
authors.forename: Giulia
authors.initials: G
authors.lastname: de Petris
authors.forename: Marzio
authors.initials: M
authors.lastname: Rosi
authors.forename: Ornella
authors.initials: O
authors.lastname: Ursini
authors.forename: Anna
authors.initials: A
authors.lastname: Troiani