Single-Ion Magnet Et4N[CoII(hfac)3] with Nonuniaxial Anisotropy: Synthesis, Experimental Characterization, and Theoretical Modeling.
Single-Ion Magnet Et4N[CoII(hfac)3] with Nonuniaxial Anisotropy: Synthesis, Experimental Characterization, and Theoretical Modeling.
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DOI：
10.1021/acs.inorgchem.6b01473
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发表时间：
2016-09
影响因子：
4.6
通讯作者：
A. Palii;D. Korchagin;E. A. Yureva;A. Akimov;E. Misochko;G. Shilov;A. Talantsev;R. Morgunov
中科院分区：
文献类型：
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作者：
A. Palii;D. Korchagin;E. A. Yureva;A. Akimov;E. Misochko;G. Shilov;A. Talantsev;R. Morgunov
本文报道了具有单离子磁体(SIM)行为的新型钴(II)配合物Et4N[CoII(HFAc)3](I)(HFAC=六氟乙酰丙酮)的合成和结构。基于静态和动态磁测量、电子顺磁共振谱等补充实验技术，结合理论模拟(参数哈密顿和从头计算)对I的磁特性进行了分析，表明I的SIM性质是由具有较强的正轴向和显著的菱形贡献的非单轴磁各向异性引起的。
In this article we report the synthesis and structure of the new Co(II) complex Et4N[CoII(hfac)3] (I) (hfac = hexafluoroacetylacetonate) exhibiting single-ion magnet (SIM) behavior. The performed analysis of the magnetic characteristics based on the complementary experimental techniques such as static and dynamic magnetic measurements, electron paramagnetic resonance spectroscopy in conjunction with the theoretical modeling (parametric Hamiltonian and ab initio calculations) demonstrates that the SIM properties of I arise from the nonuniaxial magnetic anisotropy with strong positive axial and significant rhombic contributions.