Is the orthogonality of partially filled orbitals in a regular chain a proper strategy towards high spin molecules

The Hartree-Fock band theory predicts that the FM state would be energetically favored over the AF and M states at the limit case where the overlap between the interacting semioccuped orbitals is really zero (orthogonality). In order to test experimentally this strategy towards organic high spin molecules, we addressed ourselves to salts of polyradical-cations 1. Mono- and di- radical-cation generated from perchloro-biphenyl/SbF 5 have been studied at several temperatures with UV-Vis and ESR spectroscopies. The spectral data agree with a D 2d ground-state triplet with two localized electrons, each one placed (and delocalized) only on one phenyl moiety