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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. (Chinese)

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  • معلومة اضافية
    • Alternate Title:
      Synthesis, Structure and Hirshfeld Analysis of Zn Coordination Polymer Based on 1,3-Benzodioxole-5-Carboxylic Acid and 4,4′-Bipyridine. (English)
    • نبذة مختصرة :
      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 (NO3) 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, I2/a space group, with lattice parameters of a=1.321 96 (11) nm, b=1.019 64 (9) nm, c=1.672 83 (14) nm and β=100.771 (6) °. The molecular formula is C26H18N2O8Zn. 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 through π…π stacking 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.  [ABSTRACT FROM AUTHOR]
    • نبذة مختصرة :
      利用胡椒酸 (HBDCA) 和4,4′-联吡啶 (4,4′-bpy) 与Zn (NO3) 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=1.321 96 (11) nm,b=1.019 64 (9) nm,c=1.672 83 (14) nm和β=100.771 (6) °,分子式为C26H18N2O8Zn。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。 [ABSTRACT FROM AUTHOR]
    • نبذة مختصرة :
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