1,3,5-三(羧基甲氧基)苯镍配位聚合物的合成、晶体结构及性质研究

摘要/Abstract

摘要： 采用溶剂热法,1,3,5-三(羧基甲氧基)苯为定向配体和乙酸镍反应构筑了一个新型的金属配位聚合物[Ni(TB)₂(H₂O)₂]_n·2H₂O,其中H₃TB=1,3,5-三(羧基甲氧基)苯,通过元素分析、IR及X射线单晶衍射对配合物结构进行表征,并研究其荧光性质、热稳定性及Hirshfeld表面作用力。单晶结构分析表明,该配合物属于三斜晶系,空间群$P \overline{1}$,配合物中心离子Ni(Ⅱ)分别与来自两个水分子上的氧原子及四个不同1,3,5-三(羧基甲氧基)苯配体的羧酸氧原子配位,形成六配位的NiO₆八面体构型,并通过与1,3,5-三(羧基甲氧基)苯配体的氧原子配位不断延伸形成具有孔洞结构的一维链状构型。配合物具有良好的荧光性能和热稳定性。Hirshfeld表面作用分析表明配合物分子中O…H/H…O作用占主导且占比为39.0%,而H…H的作用力占比为25.9%,O…O的作用力占比为13.6%。

关键词: 1,3,5-三(甲氧基羧基)苯, 晶体结构, 荧光性质, 热稳定性, Hirshfeld表面

Abstract: A novel metal coordination polymer [Ni(TB)₂(H₂O)₂]_n·2H₂O (H₃TB=1,3,5-tris (carboxymethoxyl)benzene) was constructed under solvothermal conditions, with 1,3,5-tris(carboxymethoxyl)benzene as the directional ligand, reacted with nickel acetate. The structure of polymer was characterized by elemental analysis, IR and X-ray single crystal diffraction. The thermal stability, fluorescence properties and Hirshfeld surface forces were also studied. Single crystal structure analysis show that, the crystal system and space group of the complex is triclinic and $P \overline{1}$. The central ion Ni(Ⅱ) of the complex is six coordinated by with O atoms of carboxylic acid from four different 1,3,5-tris(carboxymethoxyl)benzene ligands, O atoms of two water molecules to give a octahedral geometry NiO₆. A one-dimensional chain configuration with holes is formed by the coordination of oxygen atom with 1,3,5-tris (methoxycarboxyl) benzene. The fluorescence and TG results show that the complex have good fluorescence properties and thermal stability. Hirshfeld surface analysis results reveal that the O…H/H…O interactions is 39.0% contribution to the total Hirshfeld surface of the complex molecules, while H…H and O…O interactions is 25.9% and 13.6%, respectively.

Key words: 1,3,5-tris(carboxymethoxyl)benzene, crystal structure, fluorescence property, thermal stability, Hirshfeld surface

中图分类号:

O641.4

黄秋萍, 曾振芳, 郑燕菲, 李兰, 黄唯, 韦友欢. 1,3,5-三(羧基甲氧基)苯镍配位聚合物的合成、晶体结构及性质研究[J]. 人工晶体学报, 2021, 50(5): 877-883.

HUANG Qiuping, ZENG Zhenfang, ZHENG Yanfei, LI Lan, HUANG Wei, WEI Youhuan. Synthesis, Crystal Structure and Properties of Nickel Coordination Polymer with 1,3,5-Tris(Carboxymethoxyl)Benzene[J]. JOURNAL OF SYNTHETIC CRYSTALS, 2021, 50(5): 877-883.

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