Design Criteria for High-Temperature Single-Molecule Magnets
Design Criteria for High-Temperature Single-Molecule Magnets
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DOI：
10.1021/acs.inorgchem.5b00089
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发表时间：
2015-03-02
影响因子：
4.6
通讯作者：
Chilton, Nicholas F.
中科院分区：
文献类型：
--
作者：
Chilton, Nicholas F.
设计准则，以获得缓慢的磁弛豫的理论研究为二配位配合物的Dy-III。结果表明，在不存在近线性的情况下，可以获得大的磁弛豫能垒U-eff，一般来说，Dy-III的任何二配位络合物都是有吸引力的合成靶，其U-eff > 1000 cm（-1）。如果轴向连接被溶剂配位破坏，这些大的U-eff值立即减小。
Design criteria to obtain slow magnetic relaxation are theoretically investigated for two-coordinate complexes of Dy-III. It is shown that large energy barriers to magnetic relaxation, U-eff, can ,be achieved in the absence of near-linearity and generally that any two-coordinate complex of Dy-III is an attractive synthetic target that may possess U-eff > 1000 cm(-1). These large U-eff values are immediately diminished if axial ligation is disrupted by solvent coordination.