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Anion-controlled structural diversity in mercury coordination polymers: crystal structure determination from powder diffraction data
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DOI：10.1016/j.molstruc.2025.145200.png)
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Abstract
En 中文
In this study, the self-assembly of HgX2 (X=Cl, Br, I) and an electron-deficient tetrazine-based ligand [3,6-bis(pyridin-3-yl)-1,2,4,5-tetrazine (3,3′-pytz)] was utilized. By anion-controlled approach, and using reactant diffusion method in methanol-ethanol solvent system, three structurally different coordination polymers with general formula [Hg(3,3′-pytz)X2]n, namely [Hg(3,3′-pytz)Cl2]n (1), [Hg(3,3′-pytz)Br2]n (2), and [Hg(3,3′-pytz)I2]n (3) have been prepared. The synthesized compounds were characterized using several techniques, including FT-IR, TGA, and elemental analysis. The crystal structures have been determined from single-crystal X-ray diffraction (SCXRD) data (compounds 2 and 3), and powder X-ray diffraction (PXRD) data (compound 1). Our structural analysis reveals that the structure of compound 1 is a 2D wavy sheet, whereas compounds 2 and 3 exhibit 1D helical and zig-zag chains, respectively. The presence of non-covalent intermolecular interactions was confirmed using Hirshfeld surface analysis. This study aims to deepen our understanding of anion-controlled structural design by extending its application beyond the established frameworks associated with Cd(II) systems to include Hg(II) coordination polymers. By investigating the non-covalent interactions between various anions and Hg(II), we provide new insights into how these anions can influence the structural properties and functionalities of coordination polymers. This research not only broadens the scope of anion-controlled design principles but also opens new avenues for the synthesis of advanced materials with tailored characteristics for specific applications in fields such as materials science and environmental remediation.
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