具有12坐标5f块金属中心的MOF
Kai Lv1,2, Christian Urbank2, Michael Patzschke2
1Radiochemistry Lab, Institute of Nuclear Physics and Chemistry (INPC), China Academy of Engineering Physics (CAEP), 621900 Mianyang, Sichuan, China.
Journal of the American Chemical Society
|February 10, 2022
概括
研究人员开发了一种新的金属有机框架 (MOF) 平台用于四价性活性化物 (Th4+,U4+,Np4+,Pu4+). 这种平台显示出区分活性物质的潜力,并且在硬辐射检测中具有应用.
科学领域:
- 材料科学
- 核化学
- 无机化学
背景情况:
- 在核科学中分离和检测是关键的挑战.
- 金属有机框架 (MOF) 为各种应用提供可调节的结构.
- 之前的MOF设计在容纳重型活性元素方面存在局限性.
研究的目的:
- 构建一个新型的MOF平台,能够结合多个四价值的化物离子.
- 研究基于动因的MOF (An-MOF) 的结构和电子特性.
- 探索An-MOFs在区分邻近的活性物和硬辐射检测方面的潜力.
主要方法:
- 使用四价性活性化物 (Th4+,U4+,Np4+,Pu4+) 合成异质性活性化物金属有机框架 (An-MOF).
- 结构性质的表征,包括金属协调环境和多孔性.
- 量子化学计算以了解协调和和电子特性.
- 测量自发光和带隙能量.
主要成果:
- 一个前所未有的MOF平台容纳四价性活性化物 (Th4+,U4+,Np4+,Pu4+) 已成功构建.
- 在12坐标金属环境和超微度中观察到周期性趋势.
- 量子化学计算证实了高协调数在An-MOF的高对称环境中的可行性.
- An-MOF表现出自发光 (4.16 × 104每秒每克) 和宽带间隙 (2.84 eV) 的半导体特性.
结论:
- 开发的An-MOF平台具有独特的结构和电子特性,使其能够协调性地和行为体.
- 该框架显示了区分邻近的四价性活性物之间的潜力.
- 观察到的自发光和半导体特性表明在硬辐射检测中的应用.
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