title: Multiple orbital effects and magnetic ordering in a neutral radical.
abstract: The alternating ABABAB π-stacked architecture of the EtCN solvate of the iodo-substituted, oxobenzene-bridged bisdithiazolyl radical IBBO (space group Pnma) gives rise to strong ferromagnetic exchange along the π-stacks, and the material orders as a spin-canted antiferromagnet with T(N) = 35 K, with a spontaneous (canted) moment M(spont) = 1.4 × 10(-3) μB and a coercive field H(c) = 1060 Oe (at 2 K). The observation of spin-canting can only be understood in terms of multiorbital contributions to both isotropic and anisotropic exchange interactions, the magnitude of which are enhanced by spin-orbit effects arising from the heavy-atom iodine substituent. Pseudodipolar interactions lead to a net canted moment along the c-axis, while the sublattice magnetization is predicted to possess an easy a-axis.
authors.affiliation: Department of Chemistry, University of Waterloo , Waterloo, Ontario N2L 3G1, Canada.
authors.forename: Aaron
authors.initials: A
authors.lastname: Mailman
authors.forename: Stephen M
authors.initials: SM
authors.lastname: Winter
authors.forename: Joanne W L
authors.initials: JW
authors.lastname: Wong
authors.forename: Craig M
authors.initials: CM
authors.lastname: Robertson
authors.forename: Abdeljalil
authors.initials: A
authors.lastname: Assoud
authors.forename: Paul A
authors.initials: PA
authors.lastname: Dube
authors.forename: Richard T
authors.initials: RT
authors.lastname: Oakley