Crystal structure, Hirshfeld surface analysis, vibrational properties, and electrical and dielectric studies of the bis (4-benzylpyridinium) tetrachlorocuprate (II)

Abstract

The present paper undertakes the study of (C12H12N)2CuCl4, which is a new hybrid compound. It is synthesized and characterized by single-crystal X-ray diffraction, Hirshfeld surface analysis, and FT-IR, FT-Raman, and impedance spectroscopies. It is crystallized in the monoclinic system with C2/c space group. Its crystal structure was determined and refined down to an R value of 0.05 and a wR value of 0.14. The structure can be described by the alternation of two different, cationic–anionic layers parallel to (110) plan. This complex is assembled into 3D supramolecular architecture by hydrogen bonds (N–H…Cl, C–H…Cl) and π–π interactions. Hirshfeld surface analyses and fingerprint plots are used for decoding intermolecular interactions in the crystal network and contribution of component units for the construction of the 3D architecture. The presence of different functional groups and the nature of their vibrations were identified by FT-IR and FT-Raman spectroscopies. The material is characterized by impedance spectroscopy technique measured in 209–500 MHz frequency and 296–390 K temperature ranges. In addition, the Cole–Cole (Zʺ versus Zʹ) plots were well fitted to an equivalent circuit built up by a parallel combination of resistance (R) and constant phase elements (CPEs). The close values of activation energies obtained from the analysis of equivalent circuit data confirm that the transport is through ion hopping mechanism in the bis (4-benzylpyridinium) tetrachlorocuprate.