A binuclear Fe(III)Dy(III) single molecule magnet. Quantum effects and models
A binuclear Fe(III)Dy(III) single molecule magnet. Quantum effects and models
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DOI：
10.1021/ja062399i
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发表时间：
2006-07-19
影响因子：
15
通讯作者：
Yamashita, Masahiro
中科院分区：
文献类型：
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作者：
Ferbinteanu, Marilena;Kajiwara, Takashi;Yamashita, Masahiro
双核[FeIII(BPCA)(μ-bPCA)Dy(NO3)4]具有单分子磁体性质，属于一系列等结构的Fe3+配合物(Ln=Eu，Gd，Tb，Dy，Ho)和密切相关的Fe3+链结构。低温磁化数据显示出磁滞和隧道效应。穆斯堡尔谱的反常温度依赖关系与磁序的开始有关，这与交流磁化率测量得到的磁化弛豫时间尺度一致。用改进的从头算方法(CASSCF和Spin−Orbit)揭示了配位场、自旋−轨道和交换效应的相互作用，并探讨了涉及SMM和隧道效应的最低态的有效伊辛性质。
The binuclear [FeIII(bpca)(μ-bpca)Dy(NO3)4], having Single Molecule Magnet (SMM) properties, belonging to a series of isostructural FeIIILnIIIcomplexes (Ln = Eu, Gd, Tb, Dy, Ho) and closely related FeIILnIIIchain structures, was characterized in concise experimental and theoretical respects. The low temperature magnetization data showed hysteresis and tunneling. The anomalous temperature dependence of Mössbauer spectra is related to the onset of magnetic order, consistent with the magnetization relaxation time scale resulting from AC susceptibility measurements. The advanced ab initio calculations (CASSCF and spin−orbit) revealed the interplay of ligand field, spin−orbit, and exchange effects and probed the effective Ising nature of the lowest states, involved in the SMM and tunneling effects.