A noncentrosymmetric polymorph of second harmonic generation 2,4 dinitrophenyl hydrazine for nonlinear optical applications: An experimental and theoretical investigation

Potent ocular materials with noncentrosymmetric frameworks seek the attention of researchers throughout the globe. A polymorph of 2,4-dinitrophenylhydrazine single crystals with such framework was grown by slow cooling mechanism with 1,4-dioxane as the solvent. The noncentrosymmetric characteristics of the grown material were confirmed by using X-ray diffraction analysis. The presence of functional groups of the title meld was identified with the aid of Fourier transform infrared spectroscopy analysis. The ability of the material to withstand temperature with weight loss and decomposition peak was determined by using TG/DTA analysis. The transmission window and optical bandgap of the materials were determined by using UV-Vis analysis. The nonlinear optical behavior of the grown crystals was determined with the aid of SHG and Z-scan analysis. The computational analysis was performed using Gaussian 09 software package to investigate various parameters of title meld. Hirshfeld surface analysis was performed using Crystal explorer 17 to quantify the intermolecular interactions of the grown material.