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从液体到晶体通过机械化学研磨:独特的主机-客 (HOF) 共同晶体

Shubham Som¹, Avantika Hasija¹, Deepak Chopra¹

¹Department of Chemistry, Indian Institute of Science Education and Research, Bhopal by-Pass Road, Bhopal, Madhya Pradesh 462066, India.

Acta crystallographica. Section C, Structural chemistry

|September 19, 2023

概括

机械化学研磨创造了一个新的三酸和4-二酸的共晶. 这种共晶体在甲醇中结晶时表现出罕见的阶梯形态,在蜂结构中展示了独特的客人纳入.

科学领域:

晶体工程公司晶体工程
超分子化学超分子化学
材料科学材料科学材料科学

背景情况:

机械化学提供了一种无溶剂的方法,用于合成新型晶体材料.
合晶形成是定制材料特性的一个关键策略.
了解客-宿主相互作用对于设计功能性超分子组件至关重要.

研究的目的:

合成和表征一种新的含有三酸和4 - 甲烯酸酸盐的结合晶.
研究结晶溶剂对晶体形态学的影响.
为了阐明共晶体内的超分子结构和分子间相互作用.

主要方法:

机械化学合成通过研磨.
在低温下缓慢蒸发结晶.
单晶X射线衍射. 单晶X射线衍射.
对包装相似性的Xpac分析.
希尔什菲尔德表面和指纹图谱分析.

主要成果:

在三酸 (TA) 和4-二酸 (4CDP) 之间形成一个包含共晶.
在甲醇结晶过程中观察到一种罕见的"楼梯形态学".
TA分子形成一个六角蜂框架与客4CDP分子被困在道.
Xpac分析证实了TA的2D超分子结构,没有空虚扭曲.
希尔什菲尔德分析详细介绍了键和弱相互作用的贡献.

结论:

机械化学可以形成独特的共晶结构.
甲醇作为结构指导溶剂,诱导特定的晶体形态.
同晶体表现出一个强大的2D超分子框架,能够容纳客分子而不会扭曲.
强和弱的分子间相互作用都控制着晶体的包装和稳定性.

关键词:

这里是HOF HOF.协同晶体协同晶体是一个晶体结构晶体结构一个晶体海绵.机械化学合成机械化学合成酸盐酸盐的使用方法阶梯的形态结构阶梯形态.三倍酸三倍酸是什么意思

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