Synthesis, crystal structure, hirshfeld surface analyses and physical properties of a new hybrid compound: [C3N6H8]2PbCl5.Cl

Abstract

One-dimensional chain structure of a novel (1-D) lead (II) complex with a formula of [C3N6H8]2PbCl5.Cl was obtained by slow evaporation at room temperature and characterized by X-ray diffraction patterns, FT-IR and FT-Raman spectroscopy, differential scanning calorimetry and dielectric technique. This compound was found to crystallize in the monoclinic system with P21/m space group. It shows inorganic layers built by infinite chains, parallel to the (ac) planes between which the organic cations are intercalated. In this structure a one self-assembly of predetermined (1-D) [PbCl53−]n polyhedra chains and non-coordinating discrete anions are connected to positively charged [C3N6H8]2+ by means of intermolecular hydrogen bonds (N-H⋯Cl and N-H⋯N). The hydrogen bond plays an important role as the main cohesion. Hirshfeld surfaces and the breakdown of fingerprint plots were used to visualize and explore the title compound for quantifying intermolecular interactions in crystal lattice. FT-IR and FT-Raman spectroscopy were used to distinguish the different chemical functional groups and their environments in this molecule. The differential scanning calorimetry spectrum (DSC) show four peaks at 339, 357, 388 K and 416 K. The temperature dependence of the electrical conductivity (σdc and σac), and fp of the bulk part confirms the observed transitions in the calorimetric study. The dielectric-type material is protonic-electronic conductor as proton jumps in hydrogen bonds (hopping process) at low temperature and becomes an electronic one at high temperature.