title: Crystal Structure of Hexaazaoctadecahydrocoronene Dication [HAOC]2+, a Singlet Benzene Dication.
abstract: The structures of hexaazaoctadecahydrocoronene, [HAOC](n) (n = O, + 2), have been determined by single-crystal x-ray diffraction. Although HAOC is aromatic, its dication has a localized structure that is based upon Jahn-Teller-distorted cyanine/p-phenylenediammonium fragments. The structure is consistent with the singlet ground state as determined by magnetic susceptibility and contrasts with the simplest Hückel expectation of a triplet ground state.
authors.forename: J S
authors.initials: JS
authors.lastname: Miller
authors.forename: D A
authors.initials: DA
authors.lastname: Dixon
authors.forename: J C
authors.initials: JC
authors.lastname: Calabrese