基于胡椒酸/4,4′-联吡啶的Zn配位聚合物的合成、结构及Hirshfeld分析  

Synthesis,Structure and Hirshfeld Analysis of Zn Coordination Polymer Based on 1,3-Benzodioxole-5-Carboxylic Acid and 4,4′-Bipyridine

作　　者：徐娅蓉 赵九州 赵成兄 梁毅农 孙赞 XU Yarong;ZHAO Jiuzhou;ZHAO Chengxiong;LIANG Yinong;SUN Zan(School of Chemistry and Materials Science,Qinghai Minzu University,Xining 810007,China;Key Laboratory of Resource Chemistry and Eco-environmental Protection in Tibetan Plateau,State Ethnic Affairs Commission,Xining 810007,China)

机构地区：[1]青海民族大学化学与材料科学学院,西宁810007 [2]青藏高原资源化学与生态环境保护国家民委重点实验室,西宁810007

出　　处：《人工晶体学报》2025年第1期115-120,共6页Journal of Synthetic Crystals

基　　金：青海省自然科学基金(2020-ZJ-964Q)。

摘　　要：利用胡椒酸(HBDCA)和4,4′-联吡啶(4,4′-bpy)与Zn(NO_(3))_(2)通过溶剂热反应,成功合成了一例锌配位聚合物[Zn(BDCA)(4,4′-bpy)_(0.5)]_n(I),并通过X射线单晶衍射(SXRD)、元素分析(EA)、红外光谱(IR)、热重分析(TGA)、X射线粉末衍射(XRD)等手段对其结构进行表征。配合物I属于单斜晶系,I2/a空间群,晶胞参数为a=1.32196(11)nm,b=1.01964(9)nm,c=1.67283(14)nm和β=100.771(6)°,分子式为C_(26)H_(18)N_(2)O_(8)Zn。在配合物I中,中心Zn原子位于扭曲的四面体几何构型中,配体连接金属形成1D链结构。Hirshfeld分析表明,链与链之间可通过π…π堆积和C—H…O相互作用形成3D超分子结构。此外,还研究了配合物I的紫外-可见漫反射光谱及固态荧光性能。A Zn coordination polymer[Zn(BDCA)(4,4′-bpy)0.5]n(I)was successfully synthesized by solvent thermal synthesis based on 1,3-benzodioxole-5-carboxylic acid(HBDCA),4,4′-bipyridine(4,4′-bpy)and Zn(NO 3)2.The structure was characterized by X-ray single crystal diffraction(SXRD),elemental analysis(EA),infrared spectroscopy(IR),thermogravimetric analysis(TGA)and X-ray powder diffraction(XRD).The results indicate that complex I belongs to the monoclinic crystal system,I 2/a space group,with lattice parameters of a=1.32196(11)nm,b=1.01964(9)nm,c=1.67283(14)nm andβ=100.771(6)°.The molecular formula is C_(26)H_(18)N_(2)O_(8)Zn.In complex I,the central Zn atom is located in a distorted tetrahedral geometry,and the ligand connects the metal to form a 1D chain structure.Hirshfeld analysis show that the chains can interact with each other throughπ…πstacking and C-H…O interactions to form a 3D supramolecular structure.In addition,the UV-vis diffuse reflectance spectra and solid-state fluorescence properties of complex I were also studied.

关 键 词：锌配位聚合物 溶剂热合成 晶体结构 Hirshfeld分析 紫外-可见漫反射光谱 固态荧光 

分 类 号：O641.4[理学—物理化学]