title: Electrochemical control of the regioselectivity in the exohedral functionalization of C60: the role of aromaticity.
abstract: In this work we show that the regioselectivity of the Diels-Alder, 1,3-dipolar, and carbene cycloadditions to C(60) changes from the usual [6,6] addition in neutral species to the [5,6] attack when the number of electrons added to the fullerenic cage increases. Changes in the aromaticity of the five- and six-membered rings of C(60) during the reduction process provide a rationale to understand this regioselectivity change.
authors.affiliation: Institut de Química Computacional and Departament de Química, Universitat de Girona, Campus Montilivi, 17071 Girona, Catalonia, Spain.
authors.forename: Marc
authors.initials: M
authors.lastname: Garcia-Borràs
authors.forename: Sílvia
authors.initials: S
authors.lastname: Osuna
authors.forename: Marcel
authors.initials: M
authors.lastname: Swart
authors.forename: Josep M
authors.initials: JM
authors.lastname: Luis
authors.forename: Miquel
authors.initials: M
authors.lastname: Solà