Liu Yang, Hu Hongzhi, Qi Huanhuan, Lv Meixia, Liu Zunqi
Chemistry and Chemical Engineering College, Xinjiang Agricultural University, Urumqi 830052, China.
Xinjiang Sub-Center, National Engineering Research Center of Novel Equipment for Polymer Processing, Urumqi 830052, China.
Molecules. 2023 Nov 14;28(22):7586. doi: 10.3390/molecules28227586.
A novel hydrogen-bonded supramolecular crown-ether-based inclusion compound, [(DL-α-Phenylglycine)(18-crown-6)](CoCl), was obtained via evaporation in a methanolic solution at room temperature using DL-α-phenylglycine, 18-crown-6, cobalt chloride (CoCl), and hydrochloric acid. Its structure, thermal properties, and electrical properties were characterized via elemental analysis, single-crystal X-ray diffraction, variable-temperature infrared spectroscopy, thermogravimetric analysis, differential scanning calorimetry, and variable temperature-variable frequency dielectric constant testing. The compound was a monoclinic crystal system in the space group at low temperature (100 K) and room temperature (293 K). Analysis of the single crystal structure showed that [(CoCl)] presented an edge-sharing ditetrahedral structure in the disordered state, while the protonated DL-α-phenylglycine molecule in the disordered state and intramolecular hydroxyl group (-OH) underwent dynamic rocking, causing a significant stretching motion of the O-H···Cl-type one-dimensional hydrogen bond chain. This resulted in dielectric anomalies in the three axes of the crystal, thus showing significant dielectric anisotropy.
通过在室温下于甲醇溶液中蒸发，使用DL-α-苯甘氨酸、18-冠-6、氯化钴（CoCl）和盐酸，获得了一种新型的基于氢键的超分子冠醚包合物，即[(DL-α-苯甘氨酸)(18-冠-6)][(CoCl)]。通过元素分析、单晶X射线衍射、变温红外光谱、热重分析、差示扫描量热法和变温变频介电常数测试对其结构、热性能和电性能进行了表征。该化合物在低温（100 K）和室温（293 K）下属于单斜晶系，空间群为 。单晶结构分析表明，[(CoCl)]在无序状态下呈现边共享双四面体结构，而无序状态下的质子化DL-α-苯甘氨酸分子和分子内羟基（-OH）发生动态摇摆，导致O-H···Cl型一维氢键链出现显著的拉伸运动。这导致晶体的三个轴出现介电异常，从而表现出显著的介电各向异性。
