四配位钴化合物[Co(CH₃-im)₂Cl₂]中的磁各向异性和场诱导的磁化强度缓慢弛豫
Magnetic Anisotropy and Field-induced Slow Relaxation of Magnetization in Tetracoordinate Co Compound [Co(CH₃-im)₂Cl₂].
作者信息
Nemec Ivan, Herchel Radovan, Kern Michal, Neugebauer Petr, van Slageren Joris, Trávníček Zdeněk
机构信息
Regional Centre of Advanced Technologies and Materials, Department of Inorganic Chemistry, Faculty of Science, Palacký University, 17. listopadu 12, CZ-771 46 Olomouc, Czech Republic.
Institute of Physical Chemistry, University of Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany.
出版信息
Materials (Basel). 2017 Feb 28;10(3):249. doi: 10.3390/ma10030249.
Static and dynamic magnetic properties of the tetracoordinate CoII complex [Co(CH3-im)2Cl2], (1, CH3-im = N-methyl-imidazole), studied using thorough analyses of magnetometry, and High-Frequency and -Field EPR (HFEPR) measurements, are reported. The study was supported by ab initio complete active space self-consistent field (CASSCF) calculations. It has been revealed that 1 possesses a large magnetic anisotropy with a large rhombicity (magnetometry: D = -13.5 cm-1, E/D = 0.33; HFEPR: D = -14.5(1) cm-1, E/D = 0.16(1)). These experimental results agree well with the theoretical calculations (D = -11.2 cm-1, E/D = 0.18). Furthermore, it has been revealed that 1 behaves as a field-induced single-ion magnet with a relatively large spin-reversal barrier (Ueff = 33.5 K). The influence of the Cl-Co-Cl angle on magnetic anisotropy parameters was evaluated using the CASSCF calculations.
报道了通过对磁学测量以及高频和高场电子顺磁共振（HFEPR）测量进行全面分析，对四配位钴（II）配合物[Co(CH3-im)2Cl2]（1，CH3-im = N-甲基咪唑）的静态和动态磁性进行的研究。该研究得到了从头算完全活性空间自洽场（CASSCF）计算的支持。结果表明，1具有较大的磁各向异性和较大的菱形度（磁学测量：D = -13.5 cm-1，E/D = 0.33；HFEPR：D = -14.5(1) cm-1，E/D = 0.16(1)）。这些实验结果与理论计算结果（D = -11.2 cm-1，E/D = 0.18）吻合良好。此外，还发现1表现为具有相对较大自旋反转势垒（Ueff = 33.5 K）的场诱导单离子磁体。利用CASSCF计算评估了Cl-Co-Cl角对磁各向异性参数的影响。
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