title: Design, synthesis, and properties of conformationally fixed semiquinone monoradical species.
abstract: The design of novel, functionalized semiquinone (SQ) ligands which combine structural rigidity and electron-withdrawing, electron-donating, and electroneutral substituents enables investigation of multiple structure-property relationships and building blocks for new materials, including components of sensors, switches, and molecular spintronics. Along these lines, we report the synthesis of several new SQ ligands containing fused heterocyclic ring systems. Using both electron paramagnetic resonance spectroscopy and quantum chemical calculations, we show how spin density is affected by the fused ring system substituents.
authors.affiliation: Department of Chemistry, North Carolina State University, P.O. Box 8204, Raleigh, North Carolina 27695, USA.
authors.forename: David A
authors.initials: DA
authors.lastname: Shultz
authors.forename: Joseph C
authors.initials: JC
authors.lastname: Sloop
authors.forename: Gary
authors.initials: G
authors.lastname: Washington