Synthesis, growth, structural, optical, electrical and magnetic properties of novel (E)-3-(4-(diethylamino) phenyl)-2-(thiophen-2-yl) acrylonitrile (DPTA) single crystal

Abstract The title compound (DPTA) synthesized by Knoevenagel Condensation process, was developed from a single crystal by slow evaporation method. This compound was then confirmed by FT-IR and FT-Raman spectroscopic analyses in order to identify the function groups. UV–visible spectral studies and fluorescence spectroscopic analysis were also carried out for the grown crystal. Density Functional Theory (DFT/B3LYP/6-311G++(d,p) level of theory) was performed by Gaussion 09 software. Further, the single crystal XRD analysis was used to confirm the crystal system and lattice parameters. Moreover, structural perfection of the grown crystal was analysed by high resolution X-ray diffraction (HRXRD) rocking curve measurements. The chemical composition was confirmed by performing elemental chemical analysis as well 1 H NMR and 13 C NMR spectroscopic studies. The optical studies further carried out, revealed the optical band gap and the refractive index of the material, measured as a function of wavelength. The laser damage threshold of the grown crystal was then measured using Nd:YAG laser. The dielectric constant, dielectric loss and a.c conductivity of (DPTA) was investigated with different frequencies and temperatures. Moreover, the magnetic property of the grown crystal was evaluated by VSM analysis.