A new hybrid compound based on mercury and 3,3 '-diaminobiphenylsulfone studied by a combined experimental and theoretical approach

摘要

A new organic-inorganic hybrid compound of formula: (H2L) (HgBr4)center dot 2H(2)O [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 P2(1)/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 center dot center dot center dot O/O center dot center dot center dot 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. (C) 2020 Elsevier B.V. All rights reserved.