Structure, Lattice Microstrain and Optical Properties of a novel orthorhombic as [C5H6N2Cl]2- [HgCl4]2+Hybrid Material

Abstract

Organic-inorganic hybrid materials have emerged as an important class of functional solids due to their combined structural flexibility and robust physical properties. Herein, we report the synthesis of a novel tetrachloromercurate hybrid material, formulated as [C5H6N2Cl]2+[HgCl4]2-, via a slow-evaporation solution growth technique. Powder X ray diffraction (XRD) combined with profile refinement reveals that the compound stabilizes in an orthorhombic lattice with a space group of Pmn21and lattice dimensions a=13.111 Å, b=11.311 Å, and c=8.355 Å. Structural analysis reveals a dominant (032) preferred orientation with an average crystallite size of 28 nm and a local tensile microstrain of ~ 0.02% extracted via Williamson–Hall plot metrics. Optical characterization through UV-Vis spectroscopy reveals a distinct absorption cut-off wavelength resulting in an optical band gap of 3.75 eV. These insights establish this tetrachloromercurate hybrid as a viable candidate for optoelectronic and photovoltaic applications.