title: Electron delocalization and aromaticity in linear polyacenes: atoms in molecules multicenter delocalization index.
abstract: Molecular aromaticity in the linear polyacenes is investigated using an atoms in molecules based six center index (SCI-AIM) which measures the electron delocalization. SCI-AIM values for the linear polyacenes indicate decreasing aromaticity going from outer to inner rings in the polyacene series. The SCI-AIM approach is compared to a Mulliken-like approach, and a critical comparison to the PDI index is made.
authors.affiliation: Department of Inorganic and Physical Chemistry, Ghent University, Krijgslaan 281, B-9000 Gent, Belgium. Patrick.Bultnick@Ugent.be
authors.forename: Patrick
authors.initials: P
authors.lastname: Bultinck
authors.forename: Michel
authors.initials: M
authors.lastname: Rafat
authors.forename: Robert
authors.initials: R
authors.lastname: Ponec
authors.forename: Bart
authors.initials: B
authors.lastname: Van Gheluwe
authors.forename: Ramon
authors.initials: R
authors.lastname: Carbó-Dorca
authors.forename: Paul
authors.initials: P
authors.lastname: Popelier