title: Local aromaticity of the lowest-lying singlet States of [N]acenes (N = 6-9).
abstract: The local aromaticities of the six-membered rings in the two lowest-lying singlet states of [n]acenes (n = 6-9) have been assessed by means of three probes of local aromaticity based on structural, magnetic, and electron delocalization properties. Important differences between the local aromaticities of the closed-shell and diradical singlet electronic states are found. Thus, while the inner rings have the largest aromatic character in the closed-shell singlet states, the outer rings become the most aromatic for the diradical singlet states.
authors.forename: Jordi
authors.initials: J
authors.lastname: Poater
authors.forename: Josep M
authors.initials: JM
authors.lastname: Bofill
authors.forename: Pere
authors.initials: P
authors.lastname: Alemany
authors.forename: Miquel
authors.initials: M
authors.lastname: Solà