Crystal growth, structural, Hirshfeld surface analysis, optical and laser damage threshold analysis of 2-Methylimidazolium glutarate single crystal: third-order nonlinear optical applications

Abstract

A single crystal 2-Methylmidazolium glutarate (2MIG) was grown using a low-temperature solution growth method using methanol as a solvent. Optically, a good quality single crystal of size 12 × 8 × 4 mm³ was grown at 42 °C. X-ray diffraction analysis was employed to determine lattice cell parameters and the identity of the phase with hkl planes of 2MIG crystal. Nuclear magnetic resonance ¹H and ¹³C spectrums identified the grown crystal proton and carbon orientation. The compound’s elementary percentages were validated using a CHNO analyzer. The functional groups present in 2MIG were identified through FT-IR spectral analysis. The intermolecular interactions in the crystal structure, including the C–H⋯π, C–H⋯O, and N–H⋯O interactions, were investigated and confirmed by molecular Hirshfeld surface analysis. In UV spectra, a lower cut-off value at 288 nm and a wide band gap of 4.21 eV for the 2MIG crystal are observed. A single-shot laser was used to measure the surface-induced laser damage to the grown crystal. TG/DTA was used to discuss the thermal stability of 2MIG. Meyer’s index number (4.79) in hardness studies confirmed the soft nature of the crystals. Voids have been used to describe the mechanical strength of crystalline materials. The temperature-dependent dielectric loss and dielectric constant were determined in the 1 to 6 Hz frequency range. The Z-scan method determined the third-order nonlinear optical parameters.