化兰金属有机框架与封闭的CO2和协同的框架灵活性
Francoise M Amombo Noa1, Erik Svensson Grape2, Michelle Åhlén3
1Chemistry and Biochemistry, Department of Chemistry and Chemical Engineering, Chalmers University of Technology, SE-41296 Gothenburg, Sweden.
Journal of the American Chemical Society
|May 3, 2022
概括
一个新的金属有机框架,CTH-17,呈现出具有高热稳定的新型棒MOF结构. 由于连接器的灵活性,它具有独特的二氧化碳吸收门效应.
科学领域:
- 材料科学
- 晶体学
- 化学工程
背景情况:
- 金属有机框架 (MOF) 是具有可调节结构的高级多孔材料.
- 基于兰的MOF因其独特的特性而受到探索.
- 在设计形MOF时,形状形连接器至关重要.
研究的目的:
- 合成和描述一种基于的新型MOF,CTH-17.
- 研究CTH-17的结构性,热性和气体吸附性.
- 了解二氧化碳吸附中观察到的开效应背后的机制.
主要方法:
- 使用兰 (III) 和1,2,3,4,5,6-hexakis ((4-carboxyphenyl) 连接剂进行溶热合成.
- 使用可变温度X射线粉碎衍射 (VTPXRD) 和单晶衍射 (SCXRD) 的表征.
- 用于热稳定性和气体吸附性 (N2,CO2) 研究的热重量计分析 (TGA).
- 密度函数理论 (DFT) 对能量最小化和种族化途径的计算.
主要成果:
- 一种具有新形拓的棒MOFCTH-17已成功合成.
- 观察到高达770K的高热稳定性,在高温下发生相位过渡.
- 测定了231m2/g的表面积.
- 在0.45mmol/g负载时观察到明显的二氧化碳吸收门效应.
- 灵活性归因于螺旋式链接器运动和LaO6协调球的流动性.
结论:
- CTH-17是一种具有新拓的热稳定性,性MOF.
- MOF表现出由结构灵活性驱动的二氧化碳门效应.
- DFT计算支持了性阶段和种族化过程的稳定性.
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