Synthesis, structural, spectroscopic and electric/dielectric studies of a nanocrystalline Ni(ii) complex based on [(1,3-diphenyl-1H-pyrazol-4-yl)methylene]thiocarbonohydrazide

Abstract

A Ni²⁺ nanocomplex based on a heterocyclic ligand containing a pyrazole moiety was developed in this work, and its electric conductivity and dielectric characteristics were studied. The Ni²⁺ nanocomplex with the general formula [Ni(PyT)₂(H₂O)₂]Cl₂·½H₂O, where PyT = [(1,3-diphenyl-1H-pyrazol-4-yl)methylene]thiocarbonohydrazide, was characterized using various techniques, including elemental and thermal analyses, as well as conductivity, magnetism, TEM, and spectroscopic (FT-IR, UV-Vis and XRD) studies. The results showed that PyT was bonded to the Ni(II) centers via a neutral bidentate ligand, resulting in an octahedral-shaped, thermally stable mononuclear complex. The frequency response of the dielectric properties and ac conductivity was studied in the range from 200 Hz to 6 kHz. Both dielectric constant and dielectric loss decreased with increasing frequency. In addition, the effect of temperature was investigated in the range of 294.1–363.4 K. The ac conductivity increased with increasing temperature in the range of 294.1–333.5 K. The ac conduction is described as correlated barrier hopping between non-intimate valence alternation pairs. Furthermore, the PyT and Ni(PyT) nanocomplex structures were optimized using theoretical calculations and DFT computations.