基于CH...NC结合的两个iHOF的晶体结构和希尔什菲尔德表面分析
Qiaoqi Qin1, Jiamin Liu1, Xinyu Luan2
1School of Chemistry, Sun Yat-sen University, No. 132 Waihuan East Road, Panyu, Guangzhou, Guangdong 510006, People's Republic of China.
Acta crystallographica. Section C, Structural chemistry
|July 12, 2024
概括
两种新的离子结有机框架 (iHOFs) 用衍生物合成. 这些框架表现出由CH...NC和CH...Br结相互作用驱动的独特结构.
科学领域:
- 材料科学 材料科学 材料科学
- 晶体学 晶体学是指结晶学.
- 超分子化学 超分子化学
背景情况:
- 离子结有机框架 (iHOFs) 是具有可调节性质的先进材料.
- 了解反离子和键的作用对于设计新型框架结构至关重要.
研究的目的:
- 使用特定的衍生物合成和描述新的iHOF.
- 为了研究不同反离子 (化物和抗五化物) 对框架组件的影响.
- 分析控制晶体结构的键相互作用.
主要方法:
- 离子化合物的结晶.
- 单晶X射线衍射用于结构确定.
- 希尔什菲尔德表面分析以量化分子间相互作用.
主要成果:
- 两种不同的iHOFs被成功合成和表征:4-cyano-N-(4-cyanobenzyl) pyridinium化物和bis[4-cyano-N-(4-cyanobenzyl) pyridinium] antimony(III) pentabromide.
- 反离子 (Br−和[SbBr5]2−) 的模板效应导致了不同的框架架构的形成.
- 赫什菲尔德表面分析显示了CH...NC和CH...Br结的普遍性,CH...NC相互作用显示出cis和trans配置.
结论:
- 这项研究证明了新型iHOFs的成功建造,具有独特的结构图案.
- 反离子选择显著影响自组装和由此产生的框架拓.
- 对结相互作用的详细分析为先进的有机框架的设计原则提供了洞察力.
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