title: A ligand-field study of the ground spin-state magnetic anisotropy in a family of hexanuclear Mn(III) single-molecule magnets.
abstract: A ligand field analysis of two structurally related hexanuclear Mn(iii) coordination complexes reveals that the observed difference in their ground spin-state anisotropy originates from the difference in projection coefficients of the single-ion anisotropy to spin states of different total spin quantum-number, S, rather than the geometrical distortions of the metal ions. Furthermore we show that the single-ion second order anisotropy induces fourth and higher order anisotropy terms to the ground spin states of the studied systems, as a consequence of spin-state mixing effects due to the comparable magnitude of the single-ion second order anisotropy and the isotropic exchange parameters.
authors.affiliation: Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100, Denmark. piligkos@kiku.dk
authors.forename: Stergios
authors.initials: S
authors.lastname: Piligkos
authors.forename: Jesper
authors.initials: J
authors.lastname: Bendix
authors.forename: Høgni
authors.initials: H
authors.lastname: Weihe
authors.forename: Constantinos J
authors.initials: CJ
authors.lastname: Milios
authors.forename: Euan K
authors.initials: EK
authors.lastname: Brechin