Synthesis and Characterization of Single Crystals of Creatininium Hydrochloride for Third‐Order NLO Applications

Abstract

AbstractSingle crystals of Creatininium hydrochloride (CTNHCl) are grown by the conventional solution growth method using Millipore water at 32 °C. X‐ray diffraction reveals that it crystallizes in a monoclinic with a space group of P21/n. Solubility studies are performed at different temperatures. Intermolecular interactions involving distinct molecular moieties are also studied by mapping the 3D Hirshfeld surface and its fingerprint plots. Using FT‐IR, spectral analysis is identified. The optical efficiency of the material is studied using UV–vis–NIR and photoluminescence studies. SEM and EDAX analysis are performed for the title compound. Thermal behavior is analyzed, and the material started to melt at 275 °C. Third‐order nonlinear properties of the material like β, n2, χ(3) values are calculated using the z‐scan technique.