| 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 |
| Synthesis, crystal structures, Hirshfeld surface analysis, and antifungal activity of two complexes Na(Ⅰ)/Cd(Ⅱ) assembled by 5-bromo-2-hydroxybenzoic acid ligands |
| 作者 | 单位 | E-mail | | 熊欣婷 | 江西农业大学化学与材料学院, 计算机与信息工程学院, 南昌市植物资源化学利用重点实验室, 南昌 330045 | | | 熊志强 | 南昌航空大学分析测试中心, 南昌 330063 | | | 肖攀蕾 | 江西农业大学化学与材料学院, 计算机与信息工程学院, 南昌市植物资源化学利用重点实验室, 南昌 330045 | | | 聂旭亮 | 江西农业大学化学与材料学院, 计算机与信息工程学院, 南昌市植物资源化学利用重点实验室, 南昌 330045 | niexuliang1981@163.com | | 宋秀英 | 江西农业大学化学与材料学院, 计算机与信息工程学院, 南昌市植物资源化学利用重点实验室, 南昌 330045 | | | 易绣光 | 井冈山大学化学化工学院, 吉安 343709 | jayxgggchem@163.com |
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| 摘要: 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1和2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 |
| 基金项目: 国家自然科学基金(No.22168018)、江西省自然科学基金(No.20232BAB203048)和江西省教育厅重点基金(No.GJJ200404)资助。 |
| Abstract: Na(Ⅰ)/Cd(Ⅱ) complexes, [Na(HBBA)]n (1) and [Cd(HBBA)2(4，4'-Bipy)]n (2), (H2BBA=5-bromo-2-hydroxy-benzoic acid and 4,4'-Bipy=4,4'-bipyridine) were synthesized with 5-bromo-2-hydroxybenzoic acid ligands by solvo-thermal condition and structurally characterized by elemental analysis, IR, thermogravimetric analysis, powder X-ray diffraction and single crystal X-ray diffraction. The asymmetric unit of complex 1 consists of one Na(Ⅰ) ion and one HBBA- ligand. Na(Ⅰ) ion is a six-coordinated triangular prism structure. Three oxygen atoms of the HBBAligand coordinate with two Na(Ⅰ) ions, connecting adjacent Na(Ⅰ) ions to form three 1D chain structures, and the HBBA- ligand connects three adjacent 1D chains to form a 2D network structure. Intermolecular hydrogen bonds connect adjacent 2D network structures to form a 3D hydrogen bond network structure. The asymmetric unit of complex 2 consists of one Cd(Ⅱ) ion, two HBBA- ligands, and one 4,4'-Bipy ligand. Cadmium ion is a six-coordinated twisted octahedron structure, and the 4,4'-Bipy ligand connects two adjacent cadmium ions to form a 1D chain structure. Intermolecular hydrogen bonds connect adjacent 1D links to form a 3D hydrogen bond network structure. The weak intermolecular interaction in building crystal blocks was analyzed in detail by Hirshfeld surface analysis. The reciprocal Na…O/H…Br/H…H/C…C/C…H/O…O contacts dominate over 87% of total Hirshfeld surface of complex 1, and the reciprocal H…H/H…O/H…Br/C…C/C…H/O…O/C…Br contacts dominate over 86.8% of the total Hirshfeld surface of complex 2. The thermal stability and antifungal activity of complexes 1 and 2 were studied in detail. Complex 2 has a good inhibitory effect on eight pathogenic fungi, among which the antifungal effect on Fusarium oxysporum f. sp. niveum and Rhizoctonia solani AG1 were the best, and the inhibitory rates were as high as 99.94% and 100%. |
| Keywords: 5-bromo-2-hydroxybenzoic acid complex synthesis crystal structure Hirshfeld surface analysis antifungal activity |
| 投稿时间：2024-04-26 修订日期：2024-06-05 |
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| 熊欣婷,熊志强,肖攀蕾,聂旭亮,宋秀英,易绣光.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[J].无机化学学报,2024,40(9):1661-1670. |
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