Growth, structural, optical, Z-scan and dielectric analysis of 2-Amino-4-methylpyridinium 2-chloro 4-nitro benzoate crystals for third order non-linear optical applications

An organic nonlinear optical material 2-Amino-4-methylpyridinium 2-chloro 4-nitro benzoate (AMPCNB) was synthesized and large size single crystals were grown by slow evaporation solution growth method. Single crystal X-ray diffraction study showed that the title compound belongs to monoclinic crystal system with P2(1)/n space group. In the title molecular salt, C6H9N2+center dot C7H3ClNO4 (-), the original pyridine N atom of 2-amino-4-methylpyridine is protonated. The chloro and the carboxylic acid group of nitrobenzoic acid is deprotonated. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxylate O atoms of the anion via a pair of N-H center dot center dot center dot O hydrogen bonds, forming a R-2(2) (8) ring motif. The ion pairs are further connected via N-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds. The molecules are further stabilized by C-H center dot center dot center dot pi and pi-pi interactions. The UV-VIS-NIR study was performed to investigate the transparency window and lower cutoff wavelength of the compound. The third harmonic efficiency of title compound has been studied using Z-scan technique using continuous wave Nd:YAG laser to confirm its saturable absorption and self-defocusing effect. Theoretical calculation of molecular polarizability, which is helpful in device fabrication, was carried out from Penn gap, ClausiusMossotti equations and the obtained results were compared. The Vickers' micro hardness test was carried out at room temperature and obtained results were investigated using classical Meyer's law. (c) 2022 Elsevier B.V. All rights reserved.

Automated summary

An organic nonlinear optical material, 2-Amino-4-methylpyridinium 2-chloro 4-nitro benzoate (AMPCNB), has been synthesized and large size single crystals have been grown. The crystal structure and optical properties of the compound have been investigated, showing its potential application in devices.