一种具有超过2000 K能垒的局域D对称镝(III)单分子磁体*
A Local D Symmetric Dysprosium(III) Single-Molecule Magnet with an Energy Barrier Exceeding 2000 K*.
作者信息
Ding Xia-Li, Zhai Yuan-Qi, Han Tian, Chen Wei-Peng, Ding You-Song, Zheng Yan-Zhen
机构信息
Frontier Institute of Science and Technology (FIST), School of Chemistry, Xi'an Jiaotong University Shenzhen Research School, State Key Laboratory for Mechanical Behavior of Materials, MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of, Condensed Matter, Xi'an Jiaotong University, Xi'an, 710049, P. R. China.
出版信息
Chemistry. 2021 Feb 5;27(8):2623-2627. doi: 10.1002/chem.202003931. Epub 2021 Jan 14.
Three six-coordinate Dy single-molecule magnets (SMMs) [Dy(O Bu) (L) ] with local D symmetry are obtained by optimizing the equatorial ligands. One of the compounds with L=4-phenylpyridine shows an energy barrier (U ) of 2075(11) K, which is the third largest U , and the first U >2000 K for SMMs with axial-type symmetry so far. Ab initio analysis indicates that the exceptional uniaxial magnetic anisotropy is deeply related to the axially compressed octahedral geometry. This work provides a new insight into the local D symmetry for high-performance SMMs.
通过优化赤道配体得到了三种具有局部D对称性的六配位Dy单分子磁体（SMMs）[Dy(O Bu) (L) ]。其中一种L = 4-苯基吡啶的化合物显示出2075(11) K的能垒（U ），这是第三大能垒，也是迄今为止轴向型对称SMMs中首个U >2000 K的能垒。从头算分析表明，这种特殊的单轴磁各向异性与轴向压缩的八面体几何结构密切相关。这项工作为高性能SMMs的局部D对称性提供了新的见解。
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