title: Magnetic anisotropy of dysprosium(III) in a low-symmetry environment: a theoretical and experimental investigation.
abstract: A mixed theoretical and experimental approach was used to determine the local magnetic anisotropy of the dysprosium(III) ion in a low-symmetry environment. The susceptibility tensor of the monomeric species having the formula [Dy(hfac)(3)(NIT-C(6)H(4)-OEt)(2)], which contains nitronyl nitroxide (NIT-R) radicals, was determined at various temperatures through angle-resolved magnetometry. These results are in agreement with ab initio calculations performed using the complete active space self-consistent field (CASSCF) method, validating the predictive power of this theoretical approach for complex systems containing rare-earth ions, even in low-symmetry environments. Susceptibility measurements performed with the applied field along the easy axis eventually permitted a detailed analysis of the temperature and field dependence of the magnetization, providing evidence that the Dy ion transmits an antiferromagnetic interaction between radicals but that the Dy-radical interaction is ferromagnetic.
authors.affiliation: Department of Chemistry, University of Florence, Via della Lastruccia 3, 50019 Sesto Fiorentino, Italy.
authors.forename: Kevin
authors.initials: K
authors.lastname: Bernot
authors.forename: Javier
authors.initials: J
authors.lastname: Luzon
authors.forename: Lapo
authors.initials: L
authors.lastname: Bogani
authors.forename: Mael
authors.initials: M
authors.lastname: Etienne
authors.forename: Claudio
authors.initials: C
authors.lastname: Sangregorio
authors.forename: Muralidharan
authors.initials: M
authors.lastname: Shanmugam
authors.forename: Andrea
authors.initials: A
authors.lastname: Caneschi
authors.forename: Roberta
authors.initials: R
authors.lastname: Sessoli
authors.forename: Dante
authors.initials: D
authors.lastname: Gatteschi