Journal of Synthetic Crystals, Volume. 54, Issue 1, 115(2025)
Synthesis, Structure and Hirshfeld Analysis of Zn Coordination Polymer Based on 1, 3-Benzodioxole-5-Carboxylic Acid and 4, 4′-Bipyridine
XU Yarong1... ZHAO Jiuzhou1, ZHAO Chengxiong1, LIANG Yinong1, and SUN Zan12,*
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Author Affiliations
1School of Chemistry and Materials Science, Qinghai Minzu University, Xining 810007, China2Key Laboratory of Resource Chemistry and Eco-environmental Protection in Tibetan Plateau, State Ethnic Affairs Commission, Xining 810007, Chinashow less
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.