Crystal structure, Hirshfeld surface analysis, Vibrational studies, Dielectric properties, and AC conductivity of Bis(carbamoyl-guanidine amidinourea salt) diaquatetrachlorocuprate (II)

Abstract

A new organic-inorganic hybrid compound Bis (carbamoyl-guanidine amidinourea salt) diaquatetrachlorocuprate (II) was successfully synthesized. X-ray diffraction measurements were determined. The compound crystallizes in the monoclinic system, space group P21/n. The structural analysis demonstrated the presence of a layered arrangement perpendicular to the a-axis where plans formed by (C2H7N4O)+ cations alternated with plans formed by [CuCl4(H2O)2]2− anions. The Cu (II) ions were hexa-coordinated with distorted octahedron geometric configuration. The title compound exhibited a three-dimensional structure resulting from the interconnection of molecules through N-H···Cl, N-H···O, O-H···Cl and O-H···O hydrogen bonds. Hirshfeld surface analysis was carried out to explore the different inter molecular interactions. The two-dimensional fingerprint plot revealed the most prominent interactions in the compound. Infrared and Raman spectroscopic measurements were performed to confirm the results obtained by X-ray diffraction. The thermal behavior of the material was investigated by thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). Furthermore, the material electrical properties were characterized through impedance spectroscopy technique in the frequency range 209 Hz-5 MHz and at a temperature ranging from 293 to 408 K. The impedance spectrum was characterized by the appearance of a single semicircle arc which indicated a non-Debye type of relaxation process occurring in the material. Besides, the alternating current (AC) conductivity of the compound was determined using Jonscher's law: σ(ω)=σDC+Aωn. The conduction could be attributed to the ion hopping mechanism.