Single Crystal Growth, X-ray Structure Analysis, Optical Band Gap, Raman Spectra, Strain Tensor And Photoluminscence Properties In [hgcl4]-[r]+and [zncl4]-[r]+ (r = 2-amino-5-chloropyridine) Hybrid Materials

Abstract

Single crystal growth of tetrachloromercurate (II) [HM-1] and tetrachlorozincate (II) [HM-2] with 2-amino-5-chloropyridine has been performed by slow cooling (SC) crystal growth technique of solution growth method. The crystal structures of these hybrid materials have been studied by X-ray diffraction, experimental and computational techniques, which depict that N-Hδ+...Clδ-, Hg...Hgand Cl...Cl interactions are stabilizing the structures in 3D pattern. UV-vis absorption spectra illustrate the change in opticalband gap from 3.01eVto 3.42eV on replacing the metal halide group.Raman and Hyper-Raman tensors calculations were performed based on single crystal X-ray data and the Lagrangian strain tensor calculations show the degree of lattice distortion = 1.794 between [HM-1]and[HM-2].The photoluminescence emission spectra peaks lie in the visible range for both materials.