Single-ion magnetism in seven-coordinate Yb-III complexes with distorted D-5h coordination geometry

Wu Dong-Qing; Shao Dong; Wei Xiao-Qin; Shen Fu-Xing; Shi Le; Zhang Yi-Quan; Wang Xin-Yi

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Single-ion magnetism in seven-coordinate Yb-III complexes with distorted D-5h coordination geometry

机译：具有扭曲D-5H配位几何的七坐标YB-III复合物中的单离子磁力

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Two seven-coordinate compounds with pentagonal bipyramidal Yb-III centers, namely, [Yb(H(3)Bmshp) (DMF)(2)Cl-2]center dot DMF center dot 1.5H(2)O(1) and [Yb(H(3)Bmshp)(DMF)(2)Cl-2]center dot H(4)Bmshp (2) (H(4)Bmshp = (2,6-bis[(3-methoxy-salicylidene) hydrazinecarbonyl]-pyridine)) were synthesized by changing the molar ratio of reactants in DMF. The structures of compounds 1 and 2 are very similar, except for the existence of different lattice molecules: one DMF and one and a half water molecules in 1, and one neutral uncoordinated ligand in 2. The coordination geometries of both the pentagonal bipyramidal Yb-III centers (YbCl2N1O4) in compounds 1 and 2 are also very similar with only slight differences. Magnetic data analyses revealed that the subtle structure variations result in remarkable different slow magnetic relaxation properties of compounds 1 and 2. To further understand their magnetic behaviors, ab initio calculations were performed for both compounds 1 and 2. The calculated results indicate that the magnetic anisotropies of compounds 1 and 2 are significantly different: easy-plane magnetic anisotropy for 1 and easy-axis magnetic anisotropy for 2. To the best of our knowledge, these compounds are the first Yb-III-based SIMs of pentagonal bipyramidal geometry.

机译：两个7坐标化合物与五边形双锥镱III中心，即，[镱（H（3）Bmshp）（DMF）（2）CL-2]中心点DMF中心点1.5H（2）O（1）和[镱（H（3）Bmshp）（DMF）（2）CL-2]中心点H（4）Bmshp（2）（H（4）= Bmshp（2,6-双[（3-甲氧基 - 亚水杨基）肼羰基] - 吡啶））通过改变在DMF反应物的摩尔比合成。化合物1和2的结构非常相似，除了不同的晶格分子的存在：一个DMF和一个和在1个半水分子，并且在第2一种中性不协调配体的两个五边形双锥Yb-协调的几何形状化合物1和2在III中心（YbCl2N1O4）也仅具有微小的差别非常相似。磁数据分析表明，该细微结构变化导致化合物1和2的显着不同的慢磁松弛性能为了进一步理解它们的磁性行为，从头计算是两种化合物1和2进行的计算结果表明，在磁各向异性化合物1和2是显著不同：1容易平面内磁各向异性和2.要尽我们所知的易轴的磁各向异性，这些化合物的五边形双锥第一基于镱III-SIM卡。

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《Dalton transactions: An international journal of inorganic chemistry》 |2017年第38期|共9页
作者
Wu Dong-Qing; Shao Dong; Wei Xiao-Qin; Shen Fu-Xing; Shi Le; Zhang Yi-Quan; Wang Xin-Yi;
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Nanjing Univ Sch Chem &

Chem Engn Collaborat Innovat Ctr Adv Microstruct State Key Lab Coordinat Chem Nanjing 210023 Jiangsu Peoples R China;

Nanjing Univ Sch Chem &

Chem Engn Collaborat Innovat Ctr Adv Microstruct State Key Lab Coordinat Chem Nanjing 210023 Jiangsu Peoples R China;

Nanjing Univ Sch Chem &

Chem Engn Collaborat Innovat Ctr Adv Microstruct State Key Lab Coordinat Chem Nanjing 210023 Jiangsu Peoples R China;

Nanjing Univ Sch Chem &

Chem Engn Collaborat Innovat Ctr Adv Microstruct State Key Lab Coordinat Chem Nanjing 210023 Jiangsu Peoples R China;

Nanjing Univ Sch Chem &

Chem Engn Collaborat Innovat Ctr Adv Microstruct State Key Lab Coordinat Chem Nanjing 210023 Jiangsu Peoples R China;

Nanjing Normal Univ Sch Phys Sci &

Technol Jiangsu Key Lab NSLSCS Nanjing 210023 Jiangsu Peoples R China;

Nanjing Univ Sch Chem &

Chem Engn Collaborat Innovat Ctr Adv Microstruct State Key Lab Coordinat Chem Nanjing 210023 Jiangsu Peoples R China;

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中图分类化学;无机化学;
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1. Single-ion magnetism in seven-coordinate Yb-III complexes with distorted D-5h coordination geometry [J] . Wu Dong-Qing, Shao Dong, Wei Xiao-Qin, Dalton transactions: An international journal of inorganic chemistry . 2017,第38期

机译：具有扭曲D-5H配位几何的七坐标YB-III复合物中的单离子磁力
2. Two-coordinate, quasi-two-coordinate, and distorted three coordinate, T-shaped chromium(II) amido complexes: Unusual effects of coordination geometry on the lowering of ground state magnetic moments [J] . Boynton J.N., Merrill W.A., Reiff W.M., Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2012,第5期

机译：两坐标，准两坐标和扭曲的三坐标T形铬（II）酰胺配合物：配位几何结构对降低基态磁矩的异常影响
3. Two-coordinate, quasi-two-coordinate, and distorted three coordinate, T-shaped chromium(II) amido complexes: Unusual effects of coordination geometry on the lowering of ground state magnetic moments [J] . Boynton J.N., Merrill W.A., Reiff W.M., Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2012,第5期

机译：两坐标，准两坐标和扭曲的三坐标T形铬（II）酰胺配合物：配位几何结构对降低基态磁矩的异常影响
4. Highly luminescent and thermo-sensitive seven-coordinate Tb(III) complexes [C] . Pedro Paulo Ferreira da Rosa, Yuichi Kitagawa, Koji Fushimi 日本化学会春季年会講演予稿集 . 2018

机译：高发光和热敏七坐标TB（III）配合物
5. The magnetism and coordination chemistry of mononuclear and polynuclear complexes of copper(II) and other first row transition metal ions derived from open-chain diazine (N-N) ligands. [D] . Xu, Zhiqiang. 1998

机译：铜（II）和其他来自开链二嗪（N-N）配体的第一行过渡金属离子的单核和多核配合物的磁性和配位化学。
6. Coordination Chemistry of Ru(II) Complexes of an Asymmetric Bipyridine Analogue: Synergistic Effects of Supporting Ligand and Coordination Geometry on Reactivities [O] . Komi Akatsuka, Ryosuke Abe, Tsugiko Takase, 2020

机译：不对称联吡啶类似物Ru（II）配合物的配位化学：支持配体和配位几何对反应活性的协同作用
7. Front Cover: Field-Induced Single-Ion Magnetism Based on Spin-Phonon Relaxation in a Distorted Octahedral High-Spin Cobalt(II) Complex (Eur. J. Inorg. Chem. 20/2016) [O] . Ryuta Ishikawa, Yoji Horii, Ryo Nakanishi, 2016

机译：前盖：现场诱导的单离子磁性，基于旋转声子弛豫，在扭曲的八面体高旋钴（II）复合物（EUR.J.inorg。Chem.20 / 2016）
8. Chemical Applications of Topology and Group Theory. 18. Polyhedral Isomerizations of Seven-Coordinate Complexes. [R] . King, R. B. 1985

机译：拓扑和群论的化学应用。 18.七配位配合物的多面体异构化。

Single-ion magnetism in seven-coordinate Yb-III complexes with distorted D-5h coordination geometry

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