Analysis of the uniaxial magnetic properties of high-spin d(6) ions at trigonal prism and linear two-coordinate sites: uniaxial magnetic properties of Ca(3)Co(2)O(6) and Fe[C(SiMe(3))(3)](2).
Analysis of the uniaxial magnetic properties of high-spin d(6) ions at trigonal prism and linear two-coordinate sites: uniaxial magnetic properties of Ca(3)Co(2)O(6) and Fe[C(SiMe(3))(3)](2).
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DOI：
10.1021/ic050185g
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发表时间：
2005-06
影响因子：
4.6
通讯作者：
D. Dai;M. Whangbo
中科院分区：
文献类型：
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作者：
D. Dai;M. Whangbo
通过计算高自旋d（6）离子在晶场和自旋轨道耦合作用下的低本征态，确定了它们在平行和垂直方向上的g因子，证明了三棱柱和直线双坐标位置上的高自旋d（6）离子具有单轴磁性.在此基础上，我们解释了高自旋Co（3+）（d（6））离子位于三棱柱位置的Ca（3）Co（2）O（6）和高自旋Fe（2+）（d（6））离子位于线性二坐标位置的Fe[C（SiMe（3））（3）]（2）的单轴磁性，并讨论了为什么在八面体位置具有高自旋D（6）离子的化合物不能具有单轴磁性。
It was shown that high-spin d(6) ions at trigonal prism and linear two coordinate sites have uniaxial magnetic properties by calculating their low-lying eigenstates under the influence of crystal field and spin-orbit coupling and then determining their g-factors for the parallel and perpendicular directions. On the basis of our theoretical findings, we interpreted the uniaxial magnetic properties of Ca(3)Co(2)O(6) with high-spin Co(3+) (d(6)) ions at the trigonal prism sites and those of Fe[C(SiMe(3))(3)](2) with high-spin Fe(2+) (d(6)) ions at linear two-coordinate sites, and discussed why compounds with high-spin d(6) ions at octahedral sites cannot have uniaxial magnetic properties.