两个含5-溴水杨酸钠(Ⅰ)/镉(Ⅱ)配合物的合成、晶体结构、Hirshfeld表面分析与抑菌活性
熊欣婷, 熊志强, 肖攀蕾, 聂旭亮, 宋秀英, 易绣光
【无机化学学报】doi: 10.11862/CJIC.20240145
由5-溴水杨酸(H2BBA)合成了钠(Ⅰ)/镉(Ⅱ)配合物[Na (HBBA)]n(1)和[Cd (HBBA)2(4,4'-Bipy)]n(2)(H2BBA=5-溴水杨酸,4,4'-Bipy=4,4'-联吡啶)。通过元素分析、红外光谱、热重、粉末X射线衍射和单晶X射线衍射表征了其结构。配合物1的不对称单元中有1个钠离子和1个HBBA-。钠离子是六配位的三棱柱构型,HBBA-配体的3个氧原子分别与2个钠离子配位,连接相邻的钠离子形成了3条一维链结构,HBBA-配体连接相邻的3条一维链形成了二维网络结构。分子间氢键连接相邻的二维网络结构形成了三维氢键网络结构。配合物2中有1个镉离子、2个HBBA-和1个4,4'-Bipy。镉离子是六配位的扭曲八面体构型,4,4'-Bipy配体连接相邻的2个镉离子形成了一维链结构。分子间氢键连接相邻的一维链结构形成了三维氢键网络结构。通过Hirshfeld表面和指纹图分析了配合物晶体中的弱分子间作用力。详细研究了配合物12的热稳定性和抑菌活性。
关键词: 5-溴水杨酸, 配合物, 合成, 晶体结构, Hirshfeld表面分析, 抑菌活性
Crystal structure, Hirshfeld surface analysis, and antifungal activity of five complexes based on 2,5-bis(carboxymethoxy)terephthalic acid
Jiarong ZHU, Xiaohua ZHANG, Xinting XIONG, Xuliang NIE, Xiuying SONG, Miaomiao ZHANG, Dayong PENG, Xiuguang YI
【无机化学学报】doi: 10.11862/CJIC.20250150
Five novel complexes [Co2(BCTA)(H2O)4]n (1), [Co2(BCTA)(Phen)2(H2O)2] (2), [Co2(BCTA)(Bipy)2(H2O)2] (3), [Cu2(BCTA)(Bipy)2(H2O)2]n (4), and [Cd2(BCTA)(Bipy)2(H2O)2]n (5) (H4BCTA=2,5-bis(carboxymethoxy)terephthalic acid, Phen=1, 10-phenanthroline, Bipy=2, 2′-bipyridine) were synthesized by solvothermal condition. All complexes were structurally characterized by infrared spectroscopy, elemental analysis, thermogravimetric analysis, and single-crystal X-ray diffraction. Complexes 2 and 3 have zero-dimensional structures, complex 5 has a 1D banded structure, and complexes 1 and 4 have 2D network structures. Hirshfeld surface analysis of complexes 1-5 was performed, and antifungal activities of the complexes were investigated. Complex 5 exhibited super-strong antifungal activity against seven pathogenic fungi, with all inhibitory rates reaching 100%.
关键词: 2,5-bis(carboxymethoxy)terephthalic acid, complex, crystal structure, Hirshfeld surface analysis, antifungal activity

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