A new square pyramidal copper(II) complex [Cu(C10H24N4)Br]Br: Crystal structure, thermal analysis, Hirschfeld surfaces, electrical and semiconducting properties

摘要

A new organic-inorganic Cu(II) bromide complex material [Cu(C10H24N4)Br]Br has been synthesized by hydrothermal method. Blue-violet crystals are characterized by X-ray single crystal diffraction, crystallizing in the orthorhombic system, non-centrosymmetric space group P2(1)2(1)2(1), with the following unit-cell parameters: a = 8.3536 (1) angstrom, b = 12.7161 (3) angstrom, c = 14.1982 (3) angstrom, V = 1508.21 (5) angstrom(3). This study shows that the Cu(II) sites adopt a square pyramidal distorted geometry. The crystal structure first reveals a one-dimensional (1D) network along the a axis based on N-H center dot center dot center dot Br interactions. The dimensionality is further increased to (3D) by C-H center dot center dot center dot Br weak interactions. Hirshfeld surfaces analysis was used to study the intermolecular interactions in the crystal lattices. It was then found that X-H center dot center dot center dot Br (X = N or C) contacts play an important role within the atomic architecture. Besides, the phase transitions, electric and optical properties of [Cu(C10H24N4)Br]Br were investigated and revealed a phase transition at T = 343 K. The temperature dependence of the electrical conductivity confirmed the phase transition that was also well detected with differential scanning calorimetry. The calculated activation energies of the conduction process for the two phases are EaI=0.30 eV, and EaII=0.69 eV. (C) 2021 Elsevier B.V. All rights reserved.