Characterization Studies on Photo Conductance, Dielectric Studies and Homo-Lumo Analysis of Synthezed of 4-Nitrophenol Single Crystal
S. Ayyappan1* & Gokila A2A comprehensive characterization of single-crystal 4-nitrophenol (4NP) was conducted using a multi-technique approach. The crystal's structure and crystallinity were confirmed through X-ray Diffraction (XRD) analysis. Fourier Transform Infrared Spectroscopy (FT-IR) was employed to assess the vibration modes of functional groups. UV-Vis-NIR spectroscopy provided insights into the crystal's optical properties. Thermal stability was evaluated using Thermogravimetric Analysis (TGA) and Differential Scanning Calorimetry (DSC). Dielectric and photoconductance tests were conducted to assess electrical properties. Second harmonic efficiency, found to be 7.81 times greater than standard KDP, was measured to understand nonlinear optical behavior. Photoluminescence studies were performed to explore light emission properties. Additionally, investigations into HOMO-LUMO energy levels and first hyperpolarizability were conducted to further characterize the crystal's electronic structure and nonlinear optical potential of the 4-nitrophenol samples.