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Newly synthetized Mercury (II) coordination complex with the following general formula [HgL(Cl)2]2, (L = C12H12N2O2S: 4,4’-diaminodiphenyl sulfone), was obtained by slow evaporation technique at room temperature. Single crystal X-ray diffraction shows that it crystallizes in the monoclinic system with P21/c space group. The studied compound is mainly a chloro bridged binuclear complex with tetrahedral coordination environment around each metal center. The stability of the crystal structure is ensured by mans of hydrogen bonds. In order to examine the interactions between the different present species, Hirshfeld surface analysis (HS) was also carried out. Optical studies, conducted after the thermal examination of the material, reveal that the title compound is apt to be considered as a powerful semiconductor. Lastly, the antibacterial activity was evaluated against Gram positive and Gram negative using the agar diffusion method.

A new copper coordination polymer [Cu(DDS)Cl2H2O]n (3,3’-diaminodiphenylsulfone denoted DDS) was synthesized by the slow evaporation method of aqueous solution at room temperature. The obtained complex was characterized by single crystal X-ray diffraction, spectroscopic measurements (IR, Raman and UV-visible absorption) and thermal analysis (TGA and DSC). The examination of the molecular structure shows that the crystal packing can be described as organic-inorganic mixed layers parallel to (a, b) plane. These layers are built of parallel helix linked to each others by hydrogen bonds. In each helix the copper central metal is bound to two ligands and the ligand bridges two coppers. The cohesion among layers, within each helix and between the adjacent helix is assured by N-H…Cl, N-H…O, C-H…O, C-H…Cl, O-H…O and O-H…Cl hydrogen bonding interactions forming a three dimensional network. Hirshfeld Surface analysis (HS) highlights that H...H, H…Cl/Cl…H and O…H/H…O are the most important interactions. Also, functional fragments present in the synthesized copper complex were identified by infrared and Raman studies. In addition, the optical properties were also investigated by UV-vis absorption showing four bands at 291, 365, 448 and 715 nm. Furthermore, TGA and DSC analysis prove that the synthesized compound is stable up to 130°C.

A new organic-inorganic hybrid compound of formula: (H2L) (HgBr4)·2H2O [L = 3,3′-diaminobiphenylsulfone] has been obtained by slow evaporation. Its crystal structure determined by X–ray single crystal analysis reveals that this compound crystallizes in the monoclinic system with P21/c space group. The crystal packing is dominated by strong interactions between (H2L)2+ cations and the crystallization water molecules as provided as also evidenced by the Hirshfeld Surface analysis (HS), which highlight that the H⋯O/O⋯H contacts are by far the most important ones. The crystal packing was further investigated by using infrared and Raman spectroscopy, as well as computational techniques which allow to calculate the vibrational frequencies of the species. In addition, TGA, DTA and DSC analyses were carried out to study the thermal behavior. The UV–visible behavior was also investigated to determine the optical properties.