Crystal structure, spectroscopic measurement, optical properties, thermal studies and biological activities of a new hybrid material containing iodide anions of bismuth(iii)

As part of our interest in halogenobismuthate(iii) organic–inorganic hybrid materials, a novel compound named bis(4,4′-diammoniumdiphenylsulfone) hexadecaiodotetrabismuthate(III) tetrahydrate with the chemical formula (C(12)H(14)N(2)O(2)S)(2)[Bi(4)I(16)]·4H(2)O, abbreviated as (H(2)DDS)[Bi(4)I(16)], has been prepared by a slow evaporation method at room temperature. This compound was characterized by single crystal X-ray diffraction (SCXRD), spectroscopic measurements, thermal study and antimicrobial activity. The examination of the molecular arrangement shows that the crystal packing can be described as made of layers of organic [C(12)H(14)N(2)O(2)S](2+) entities and H(2)O molecules, between which tetranuclear [Bi(4)I(16)](4−) units, isolated from each other, are inserted. The cohesion among the different molecules is assured by N–H⋯I, N–H⋯O and O–H⋯I hydrogen bonding interactions, forming a three-dimensional network. Room temperature IR, Raman spectroscopy of the title compound were recorded and analyzed. The optical properties were also investigated by both UV-vis and photoluminescence spectroscopy. Moreover, the synthesized compound was also screened for in vitro antimicrobial (Gram-positive and Gram-negative) and antioxidant activities (scavenging effect on DPPH free radicals, reducing power and total antioxidant capacity).