在4 - 烯基酸的分子复合体中的超分子组件与不同的N-捐赠体连接体
Samina Easmin1, Venkateswara Rao Pedireddi1
1Solid State and Supramolecular Chemistry Laboratory, School of Basic Sciences, Indian Institute of Technology Bhubaneswar Argul Bhubaneswar 752 050 India se15@iitbbs.ac.in.
RSC advances
|August 4, 2023
概括
这项研究研究了4 - 烯基酸与N - 供体化合物的分子复合物,揭示了联结体构成如何影响酸部分构成和晶体包装. 结构分析强调了键在稳定这些复合物的作用.
科学领域:
- 超分子化学 超分子化学
- 晶体工程 晶体工程
- 酸化学 酸的化学
背景情况:
- 涉及酸和N-捐赠体连接体的分子复合体在超分子化学中至关重要.
- 了解连接体构成和酸部分之间的相互作用是设计新型晶体材料的关键.
- 之前的研究已经探索了各种N-捐赠体配体,但需要对酸复合的构造效应进行系统分析.
研究的目的:
- 合成和表征4 - 烯基酸 (CB) 的分子复合物,其具有多样化的N-捐赠体连接体,具有多样化的结构特征.
- 为了研究连接体构成对酸部分在复合体内的结构性行为的影响.
- 阐明控制这些分子复合体固态结构的分子间相互作用和包装安排.
主要方法:
- 合成分子复合物之间的4-cyanophenylboronic 酸和刚性/线性N-捐赠体连接体.
- 单晶X射线衍射用于完整的结构特征.
- 粉末X射线衍射用于阶段纯度评估.
- 希尔什菲尔德表面分析和能量框架计算来量化分子间相互作用.
- 结晶形态计算的BFDH方法.
主要成果:
- 酸部分 (-B(OH) 2的构成主要是syn-anti,但对于特定的配体 (1,10-phenanthroline,1,2-bis(4-pyridyl) 乙烯,4,4'-azopyridine) 观察到的例外,导致了syn-syn构成.
- 在一些具有线性N-捐赠体连接体的复合体中,酸部分转化为具有syn-anti构成的基单 (-B(OH) ((OCH).
- 综合体展示了各种各样的晶体包装图案,包括堆叠的层,螺旋链和交叉带,这些图案是由连接体构成和分子间相互作用 (O-HN键) 所决定的.
- 对于由4,4'-阿佐皮里丁和1,2-bis(4-皮里迪尔) 乙烯介导的复合物,观察到含水和无水形式,无水形式显示同质和异质相互作用.
结论:
- 连接体的形状灵活性显著影响了4-烯基酸复合的结构结果.
- 分子间键在稳定观察到的晶体结构和决定包装安排方面发挥着至关重要的作用.
- 该研究提供了对酸基分子复合物的结构-性质关系的全面理解,这对晶体工程有价值.
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