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

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• 作者：Kevin Bernot ; Javier Luzon ; Lapo Bogani ; Mael Etienne ; Claudio Sangregorio ; Muralidharan Shanmugam ; Andrea Caneschi ; Roberta Sessoli ; Dante Gatteschi
• 刊名：Journal of the American Chemical Society
• 出版年：2009
• 出版时间：April 22, 2009
• 年：2009
• 卷：131
• 期：15
• 页码：5573-5579
• 全文大小：222K
• 年卷期：v.131,no.15(April 22, 2009)
• ISSN：1520-5126

文摘

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.