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JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, vol.211, 2026 (SCI-Expanded, Scopus)
This paper outlines the synthesis and characterization of new six mercury complexes [HgX2(Mnz)2] (X = Cl, Br, OAc, SCN, and NO3) and [HgSO4(Mnz)2], where Mnz is metronidazole, by a combination of conductivity measurements and FT-IR and 1H NMR, 13C NMR, and Mass spectroscopy. X-ray crystallography of complex [HgCl2(Mnz)2] (1) demonstrated a distorted tetrahedral geometry surrounding the mercury(II) core, with the Mnz ligand coordinating monodentate via its imidazole nitrogen atom. The halide and pseudo-halide ligands functioned as monodentate donors. Powder X-ray diffraction (XRD) was used to determine the average crystallite sizes, which ranged from 19.056 nm to 41.982 nm. Scanning Electron Microscopy (SEM) images revealed a variety of nanostructures, including nano-rods for complex (1) and irregular nano-sheets/plates or nano-cubic formations for other complexes. These findings offer detailed insights into the structural and morphological characteristics of the unique mercury(II)-metronidazole complexes. This study is further aimed at exploring the impact of various anion types on the hydrogen storage property of mercury-metronidazole coordination complexes represented by the general formula [HgX2(Mnz)2] (X = Cl, Br, OAc, and SCN) and [HgSO4(Mnz)2]. The physisorption capability of these coordination complexes was assessed through hydrogen storage measurements at 77 K under pressures ranging from 0 to 110 bar. The measurements show anion-dependent hydrogen storage capacity variations up to 2.34 wt% through to 5.17 wt% in the high-pressure range reached during the experiments. The complex with the chloride group [HgCl2(Mnz)2] gained the most, 5.17 wt% of hydrogen storage.