Topology and spin alignment in a novel organic high-spin molecule, 3,4′-bis(phenylmethylene)biphenyl, as studied by ESR and a generalized UHF Hubbard calculation

Article abstract of DOI:10.1021/ja00104a033

In order to examine the role of π topology in spin alignment of organic molecules, a novel high-spin hydrocarbon, 3,4′-bis(phenylmethylene)biphenyl, has been designed, synthesized, and characterized by powder-pattern and single-crystal ESR spectroscopies.