对具有原子分辨率单晶结构的共价有机框架的相互透拓异构的观察
Baoqiu Yu1, Wenliang Li2, Xiao Wang1
1Beijing Advanced Innovation Center for Materials Genome Engineering, Beijing Key Laboratory for Science and Application of Functional Molecular and Crystalline Materials, Department of Chemistry and Chemical Engineering, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing 100083, P.R. China.
Journal of the American Chemical Society
|November 9, 2023
概括
研究人员通过控制反应条件合成了两种新的3D共价有机框架 (COF) 异构体USTB-20-dia和USTB-20-qtz. 这项工作促进了对网状化学中的框架异构的理解.
科学领域:
- 网状化学
- 材料科学
- 晶体学
背景情况:
- 由于复杂的合成和能量因素,控制网状框架中的异构,特别是共价有机框架 (COF) 是具有挑战性的.
- 了解框架异构对于设计具有定制性质的先进材料至关重要.
研究的目的:
- 合成和描述新的3D共价有机框架 (COF) 异构体.
- 研究COF中相互透的拓异构体的形成机制.
- 探索构建块灵活性在指导框架拓中的作用.
主要方法:
- 使用3,3',5,5'-tetra(4-formylphenyl) -2,2',6,6'-tetramethoxy-1,1'-biphenyl (TFTB) 和3,3',5,5'-tetrakis(4-aminophenyl) bimesityl (TAPB) 合成氧化.
- 使用三维电子衍射 (3D ED) 和同步晶体X射线衍射来确定COF异构体的结构.
- 分析影响框架异构的因素的理论模拟.
主要成果:
- 成功合成了两个不同的3DCOF异构体:USTB-20-dia (2×2倍互穿透的dia-b网) 和USTB-20-qtz (3倍互穿透的qtz-b框架).
- 实现了高分辨率的COF异构体结构阐明.
- 证明了灵活的构建块配置对相互透的拓异构体形成的关键影响.
结论:
- 介绍了具有明显透拓的罕见3DCOF异构体的第一份报告.
- 通过分子设计和反应条件对框架异构的理性控制提供了见解.
- 突出实验结构分析和理论模拟之间的协同作用,以了解COF形成.
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