Magnetic Anisotropy of Dysprosium(III) in a Low-Symmetry Environment: A Theoretical and Experimental Investigation

• DOI: 10.1021/ja8100038
• Publication Date: 2009-03-31T16:55:19Z
• Authors: Kevin Bernot; Javier Luzon; Lapo Bogani; Mael Etienne; Claudio Sangregorio; Muralidharan Shan...; Andrea Caneschi; Roberta Sessoli; Dante Gatteschi
• Keywords: Dysprosium

A mixed theoretical and experimental approach was used to determine the local magnetic anisotropy of dysprosium(III) ion in a low-symmetry environment. The susceptibility tensor monomeric species having formula [Dy(hfac)(3)(NIT-C(6)H(4)-OEt)(2)], which contains nitronyl nitroxide (NIT-R) radicals, determined at various temperatures through angle-resolved magnetometry. These results are agreement with ab initio calculations performed using complete active space self-consistent field (CASSCF) method, validating predictive power this for complex systems containing rare-earth ions, even environments. Susceptibility measurements applied along easy axis eventually permitted detailed analysis temperature dependence magnetization, providing evidence that Dy transmits an antiferromagnetic interaction between radicals but Dy-radical is ferromagnetic.