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

doi:10.16553/j.cnki.issn1000-985x.2024.0246

Abstract

Abstract: 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.

Key words: Zn coordination polymer, solvent thermal synthesis, crystal structure, Hirshfeld analysis, UV-vis diffuse reflectance spectrum, solid-state fluorescence

CLC Number:

O641.4

XU Yarong, ZHAO Jiuzhou, ZHAO Chengxiong, LIANG Yinong, SUN Zan. Synthesis, Structure and Hirshfeld Analysis of Zn Coordination Polymer Based on 1,3-Benzodioxole-5-Carboxylic Acid and 4,4′-Bipyridine[J]. Journal of Synthetic Crystals, 2025, 54(1): 115-120.

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