Dimethylaniline-Based Hybrid Compounds of Cadmium Diiodide: Synthesis, Crystal Structure, and Physical Properties

Abstract

In this work, synthesis, crystal structure, and selected properties of two new organic−inorganic compounds based on cadmium iodide with 2,5-and 2,6-dimethylaniline: CdI 2 (2,5-DMA) 2 1 and CdI 2 (2,6-DMA) 2 2, respectively, were investigated. Both compounds were obtained using the same methodology, and their crystal structures were determined from powder (1) and single-crystal (2) X-ray diffraction experiments. The examined materials crystallize in the noncentrosymmetric space group Fdd2 and contain large polarizable iodine ions and electron-rich aromatic ligands. Second harmonic generation (SHG) tests performed with urea as a reference revealed high SHG efficiency of powdered samples 1 and 2. SHG signals measured for samples 1 and 2 are, respectively, around 10 and 8 times larger than the signal for urea. The experimental part was supplemented with theoretical calculations of the second-order electric susceptibility tensor components, χ ijk (2) . Calculated values of the χ 113 (2) tensor component around 1.2−1.4 pm•V −1 suggest that both materials are relatively efficient second harmonic generators. Fibrous morphology of the materials was revealed by scanning electron microscopy (SEM), and the observed bending of the fibers suggested their significant flexibility. Samples 1 and 2 were also characterized by spectroscopic techniques (IR, RS, UV−Vis-DRS) and their thermal stability and decomposition rates were researched using XRPD and TG/DSC, revealing that both investigated materials are thermally stable up to around 100 °C.

Structural Elucidation of Electrical and Optical Properties in Lead‐free Organic‐Inorganic Copper Bromide [(CH3)4N]2CuBr4 Single Crystals

“…[62] A tetracoordinate index is a numerical value that spans from 0, indicating perfect square planar geometry, to 1, signifying perfect tetrahedral geometry. The τ 4 value can be determined using equation (3), which involves subtracting α and β (the two largest angles in the tetrahedra) from 360 degrees and then dividing the result by 141. The obtained value of the τ 4 index was found to be 0.78, which indicates a deviation from the ideal tetrahedral geometry.…”

“…Organic-inorganic metal halides have received enormous attention worldwide because of their interesting applications in optoelectronics, [1] ferroelectricity, [2,3] dielectric properties, [4] photoluminescence, [5,6] nonlinear optics, [7,8] and other domains. [9,10] Traditionally, inorganic materials such as lead zirconate titanate [11] and barium titanate [12,13] have played an essential role in device making, including memory devices, actuators, infrared detectors, piezoelectric sensors, flexible sensors, and capacitors, but at the cost of metal toxicity, and other environmental problems.…”