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In order to estimate the zero-field splitting parameter D and g value, and confirm the spin ground state for 1, magnetization data were collected in the ranges 0.5–5 Tesla and 2–7 K (Fig. S1†  . The data were fitted using the program MAGMOFIT. The best fit gave a spin ground state of S = 4 with g = 2.11 and D = -0.41 cm -1 . The D value for 1 is lower than found in the [Ni 4 (hmp) 4 Cl 4 (ROH) 4 ] (Hhmp = 2-hydroxymethylpyridine) cubane series (S = 4, D ª -0.6 cm -1 ). However, differences in the D parameter between 1 and this series will occur due to the different Ni(II) local environment. 9 It is interesting to note that the Ni(II) SMM with the highest recorded energy barrier (DE/k B = 14 K) is decanuclear, with an S = 10 ground state, but a lower anisotropy D ª -0.14 cm -1 . |
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xiaoqihu
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【答案】应助回帖
shimeng100(金币+25, 翻译EPI+1): 相当不错 2011-10-24 13:05:43
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为了估算出零场分裂参数D和g的数值，确定1的自旋基态，磁化数据采集范围在。0.5-5特斯拉，2-7K（图S1？？）。数据采用程序MAGMOFIT。从数据中给出的最恰当的数值是自旋基态为S=4同时g=2.11，D=-0.41 cm -1。1的D数值低于已知的[Ni 4 (hmp) 4 Cl 4 (ROH) 4 ] (Hhmp = 2-hydroxymethylpyridine) 立方烷系列结构 (S = 4, D ª -0.6 cm -1 ).但D参数在1和这个体系结构中会有不同，这是因为Ni(II)所处的环境会不同。有趣的是我们发现，Ni(II) SMM的最高的能障decanuclear，s=10的基态，但是有更低的各向异性。 decanuclear不认识这个单词  |
2楼2011-10-24 11:39:00
