一个阿佐--桥梁的aza-18-皇冠-6密码的晶体结构及其复合体
Christoph Schwab1, Elisabeth Kreidt1
1Otto-Hahn-Strasse 6A, 44227 Dortmund, Germany.
概括
我们确定了一种新型阿佐--桥梁阿佐-18-皇冠-6密晶体及其复合物的晶体结构. 这些结构揭示了不同的形状和固态组装,为超分子化学提供了洞察力.
科学领域:
- 超分子化学 超分子化学
- 晶体工程 晶体工程
- 协调化学 协调化学
背景情况:
- 亚萨-皇冠以太和密码体是用于阴离子结合的多功能连接体.
- 亚基单元引入了光响应和形状灵活性.
- 了解复杂连接体的固态结构对于设计功能性材料至关重要.
研究的目的:
- 合成和表征一种新型阿佐--桥梁的aza-18-crown-6cryptand (1) 和其复合物的单晶X射线衍射结构 (2).
- 研究自由联体的结构偏好和固态中复合物的自我组装行为.
- 用赫什菲尔德表面分析分析控制晶体包装的分子间相互作用.
主要方法:
- 单晶X射线 difraktion 的使用方法.
- 合成阿佐--桥梁的阿佐-18-皇冠-6密码和它的复合体.
- 希尔什菲尔德表面分析
主要成果:
- 自由连接体 (1) 在空间组P21/n中结晶,采用延长,应变扭曲的冠状形状,并具有扭曲的-单元.
- 与NaBArF形成的复合体 (2),在空间组P1中结晶,并表现出具有多个Na+中心的3D网络结构.
- 希尔什菲尔德表面分析提供了对两个晶体结构中占主导地位的分子间接触的定量见解.
结论:
- 这项研究成功地阐明了新型阿佐--桥梁阿佐-18-皇冠-6密码及其复合物的固态结构.
- 这些发现突出了-桥对联体构成和复合体中扩展网络的形成的影响.
- 希什菲尔德表面分析补充了衍射数据,提供了对晶体包装和分子间力量的更深入的理解.
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