Crystal structure, thermal studies, vibrational properties, atomic Hirshfeld surface, and electrical and dielectric studies of [C9H14N]3BiCl6 single crystal

Abstract

The present research under study makes in attention the synthesis of a new organic inorganic hybrid material of formula [C9H14N]3BiCl6 by slow evaporation at room temperature. It is characterized by the following techniques: X-ray diffraction (XRD), IR absorption, Raman scattering, UV–Vis spectrum, Hirschfield surface analysis, thermal analysis, AC conductivity and dielectric measurements. The studied compound belongs to the centrosymmetric Pī space group of the triclinic system. The crystal structure is built up of one octahedral anion [BiCl6]3- and three monoprotonated cations [C9H14N]+. They give between them alternating anionic layers and cationic ones. The DSC revealed a phase transition at the temperature 380 K and the decomposition of the compound at 400 k. Raman and infrared spectra were recorded in the 50–400 and 400-4000 cm−1 frequency regions respectively. The optical properties were investigated by optical absorption and show three bands at 211, 266 and 321 nm. Hirshfeld surface analysis of close intermolecular interactions in this compound enables the identification and the examination of molecular shapes. The AC electrical conductivity and the dielectric relaxation properties of the [C9H14N]3BiCl6 material have been carefully studied by means of impedance spectroscopy measurements over 200 Hz–5 MHz frequencies and 330–400 K temperatures ranges. Nyquist plots (-Z″ versus Z′) results is well explained by an equivalent circuit which is modeled by a combination of a parallel Rp//CPE. Besides, the Arrhenius law is followed by temperature dependence of the electrical conductivity in the different phases and the Jonscher's universal dynamic law is also followed by the frequency dependence of σ (ω). Moreover, it is clear that the activation energy responsible for relaxation has been depicted and shown to be close to the DC conductivity. Finally, the modulus plots can be characterized by the non-experiential decay function ∅(t)=exp(−tτσ)β.