Synthesis, crystal structure, structural phase transition and dielectric properties of new organic-inorganic hybrid compound: (C6H5CH2N(C2H5)3)CdCl3

Single crystal of new organic-inorganic hybrid compound, (C6H5CH2N(C2H5)3)CdCl3, was successfully synthesis by slow evaporation method at room temperature and characterized by divers techniques such as single X-ray diffraction, Infrared and Raman spectroscopy, Thermal analysis (TGA and DSC), Variable temperature X-ray powder diffraction (VT‒XRPD) and dielectric properties. The results of single X-ray studies demonstrated that the title compound crystallizes in the monoclinic system with the space group P21/n. The atomic arrangement of the crystal structure can be described as 1D polymeric inorganic chain CdCl5 along the a-axis between which the organic groups are located. It consists on isolated square-pyramidal [CdCl5]3− anions and triethylbenzylammonuim (C6H5CH2N(C2H5)3)+ cations, which are interconnected via C−H…Cl weak hydrogen bonds forming 3D network. Investigation of RT‒XRPD was carried out to identify the purity of the bulk material. Hirshfeld surface and fingerprint plots reveal that the structure is dominated by H…H and H…Cl/Cl…H contacts. It is found that the (C6H5CH2N(C2H5)3)CdCl3 material displays a irreversible structural phase transition at T = 413 K. This latter was confirmed by means of variable temperature X- ray powder diffraction and dielectric permittivity (ε′andε′).