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Magnetic anisotropy of dysprosium(III) in a low-symmetry environment: a theoretical and experimental investigation.

Authors
  • Bernot, Kevin
  • Luzon, Javier
  • Bogani, Lapo
  • Etienne, Mael
  • Sangregorio, Claudio
  • Shanmugam, Muralidharan
  • Caneschi, Andrea
  • Sessoli, Roberta
  • Gatteschi, Dante
Type
Published Article
Journal
Journal of the American Chemical Society
Publisher
American Chemical Society
Publication Date
Apr 22, 2009
Volume
131
Issue
15
Pages
5573–5579
Identifiers
DOI: 10.1021/ja8100038
PMID: 20560638
Source
Medline
License
Unknown

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.

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