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-C6H4-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

Magnetic Anisotropy of Dysprosium(III) in a Low-Symmetry Environment: A Theoretical and Experimental Investigation / K.Bernot;J.Luzon;L.Bogani;M.Etienne;C.Sangregorio;M.Shanmugam;A.Caneschi;R.Sessoli;D.Gatteschi. - In: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. - ISSN 0002-7863. - STAMPA. - 131:(2009), pp. 5573-5579. [10.1021/ja8100038]

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

L. Bogani;SANGREGORIO, CLAUDIO;CANESCHI, ANDREA;SESSOLI, ROBERTA;GATTESCHI, DANTE
2009

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-C6H4-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
2009
131
5573
5579
K.Bernot;J.Luzon;L.Bogani;M.Etienne;C.Sangregorio;M.Shanmugam;A.Caneschi;R.Sessoli;D.Gatteschi
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Utilizza questo identificatore per citare o creare un link a questa risorsa: https://hdl.handle.net/2158/369709
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