在金属-有机框架中稳定前所未有的氧化物轮的形成
Sara E Gilson1, Peng Li2, Jennifer E S Szymanowski3
1Department of Chemistry and Biochemistry , University of Notre Dame , Notre Dame , Indiana 46556 , United States.
Journal of the American Chemical Society
|July 23, 2019
概括
研究人员合成了具有独特轮状节点结构的-有机框架 (MOF). 分析显示,在海王星协调方面存在重大局部扭曲,影响了MOF框架.
科学领域:
- 材料科学
- 无机化学
- 放射化学
背景情况:
- 金属有机框架 (MOF) 为各种应用提供可调节的结构.
- (Np) 是一种具有复杂的协调化学成分的关键性动因.
- 了解固态材料中的NP分化对于核废物管理至关重要.
研究的目的:
- 合成和表征同结构 (V) MOF.
- 在财政部框架内调查NP的结构和协调环境.
- 探索Np-O债券的振动特性和粘合特性.
主要方法:
- 使用shp拓的Np(V) MOF的合成.
- 单晶X射线衍射用于结构确定.
- 用于振动分析的拉曼光谱和密度功能理论 (DFT) 计算.
主要成果:
- 一个同结构系列的NPVMOF的成功合成.
- 发现了一个不寻常的轮形节点,包含18个海王星多面体.
- 在Np协调中存在显著的局部扭曲的证据,Np-Oyl键的长度超出了典型的范围.
- 通过光谱和计算方法分配振动模式.
结论:
- 合成的Np(V) MOF具有独特的结构特征,包括一个新的轮状节点.
- 原子的局部协调环境高度扭曲.
- 拉曼光谱和DFT计算为Np在这些框架中的结合和振动行为提供了见解.
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