Synthesis, Crystal Structure, Thermal, Spectroscopic and Dielectric Properties of Partial Substituted Hybrid Compound: (C6h5nh3)2[Cd1.44zn0.06cl5]

A novel partial substituted (C6H5NH3)2[Cd1.44Zn0.06Cl5] organic–inorganic hybrid compound was grown by slow evaporation method at room temperature and characterized by Infra-red spectroscopy and Raman scattering, single crystal X-ray diffraction (SC-XRD), room temperature RT-XRPD and variable temperature (VT-XRPD) X-ray powder temperature, thermal properties (TGA and DSC) and dielectric permittivity. SC-XRD illustrates that the studied material belongs to the centrosymmetric orthorhombic space group Pcab with the following cell parameters: a = 7.4013(16)Å, b = 19.290(4)Å, c = 24.402(5)Å, Z = 8. The atomic arrangement of the crystal structure is described as inorganic infinite layers between wich organic cations are intercalated. Its structure provided a new interesting example of infinite two-dimensional inorganic layers built up [Cd/Zn1.5Cl5]n-2n octahedral following the c→ crystallography direction. The crystal packing is governed by non-covalent interactions such as hydrogen bonds and Columbic interactions (cations-anions), forming a three dimensional supramolecular network. The intermolecular interactions were studied by Hirshfeld surface analysis and 2D fingerprint plots. RT-XRPD proves that the crystalline material is pure. Differential scanning calorimetry (DSC) analysis reveals that the studied material undergoes one phase transition of order–disorder type around 59 °C. VT-XRPD and dielectric measurements were performed in the aim to confirm and to discuss the mechanism of phase transition.