title: Net toroidal magnetic moment in the ground state of a {Dy6}-triethanolamine ring.
abstract: A toroidal magnetic moment in the absence of conventional total magnetic moment is observed in a {Dy(6)} ring. The reason for the net toroidal arrangement of the local magnetic moments is the high symmetry of the complex in combination with strong intra-molecular dipolar interactions between Dy ions. The description of single-ion and inter-ion anisotropic magnetic interactions is achieved here for the first time fully ab initio, i.e., without use of phenomenological parameters.
authors.affiliation: Division of Quantum and Physical Chemistry, Katholieke Universiteit Leuven, Belgium. Liviu.Ungur@chem.kuleuven.be
authors.forename: Liviu
authors.initials: L
authors.lastname: Ungur
authors.forename: Stuart K
authors.initials: SK
authors.lastname: Langley
authors.forename: Thomas N
authors.initials: TN
authors.lastname: Hooper
authors.forename: Boujemaa
authors.initials: B
authors.lastname: Moubaraki
authors.forename: Euan K
authors.initials: EK
authors.lastname: Brechin
authors.forename: Keith S
authors.initials: KS
authors.lastname: Murray
authors.forename: Liviu F
authors.initials: LF
authors.lastname: Chibotaru
mesh_terms: D004983:Ethanolamines / Q000737:chemistry*; D005456:Fluorescent Dyes / Q000737:chemistry*; D060526:Magnetic Fields; D011789:Quantum Theory
chemical_list: D004983:Ethanolamines; D005456:Fluorescent Dyes; C009546:triethanolamine