铁烯复合物:从合成,电子结构,到单分子磁性
Francis Delano1, Florian Benner1, Seoyun Jang1
1Department of Chemistry, Michigan State University, 578 South Shaw Lane, East Lansing, Michigan 48824, United States.
Inorganic chemistry
|August 28, 2023
概括
我们合成了新的双核稀土复合物,具有前所未有的烯基连接物协调模式. 一个复合体表现出单分子磁铁行为,显示出先进磁性材料的潜力.
科学领域:
- 协调化学 协调化学
- 有机金属化学 有机金属化学
- 材料科学 材料科学 材料科学
背景情况:
- 由于其π-和σ-基本性,罗利连接体表现出多种协调模式.
- 硬质要求很高的协调环境可以诱导新的联结体行为.
- 稀土金属复合物因其独特的电子和磁性特性而引起人们的兴趣.
研究的目的:
- 为了合成和表征新的双核稀土复合物与醇连接体.
- 为了研究在无菌阻碍的环境中罗利连接体的协调模式.
- 探索这些新型复合物的磁性特性,特别是用于单分子磁体应用.
主要方法:
- 基复合体和H-pyrrole之间的原始溶解反应.
- 用于结构确定的X射线晶体学.
- 电化学和光谱学表征 (UV-Vis,IR,NMR). 电化学和光谱学表征 (UV-Vis,IR,NMR). 电化学和光谱学表征 (UV-Vis,IR,NMR).
- 密度函数理论 (DFT) 和完整主动空间自相一致场 (CASSCF) 的计算.
主要成果:
- 三种双核稀土复合物[Cp*2RE(μ-pyr) ]2 (RE=Y,La,Dy) 已成功合成.
- 一个前所未有的非对称的协调模式的pyrrolyl配体, [(η5-Cp*) 2RE) 2(μ-1η2-pyr-2κN) ((μ-2η2-pyr-1κN) ],被观察到和结构性确认.
- 复合体3 (Dy) 在零直流场下表现出缓慢的磁放松,这是单分子磁铁的特征,Ueff = 98.9(7) cm-1和to = 6.7(1) × 10-8 s.
- DFT和CASSCF的计算为电子结构和磁性特性提供了洞察力.
结论:
- 甲基cyclopentadienyl (Cp *) 连接体的固体压力决定了这些双核稀土复合体中甲基连接体的不寻常协调.
- 合成的双核复合物代表了单分子磁铁领域的一个有前途的新增.
- 这项工作扩大了对稀土协调化学的理解,并开发了先进的磁性材料.
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