Investigations on synthesis, growth and physicochemical properties of organic nonlinear optical crystal: 2A3C2HP (C5H7N2+.C6H7O7−)

• Published in: Journal of materials science. Materials in electronics Vol. 35; no. 13; p. 892
• Main Authors: Mohanraj, S., Sinthiya, A., Janani, B., Jayaprakash, P.
• Format: Journal Article
• Language: English
• Published: New York Springer US 01.05.2024; Springer Nature B.V
• Subjects: Absorptivity; Acids; Characterization and Evaluation of Materials; Chemistry and Materials Science; Cut off wavelength; Dielectric loss; Differential thermal analysis; Efficiency; Energy bands; Energy gap; Excitation spectra; Functional groups; Materials Science; Molecular structure; Nonlinear optics; Optical and Electronic Materials; Optical properties; Photoluminescence; Refractivity; Second harmonic generation; Single crystals; Solvents; Thermal stability; X ray powder diffraction
• ISSN: 0957-4522; 1573-482X
• DOI: 10.1007/s10854-024-12664-8

The centro-symmetric single-crystal 2A3C2HP bearing the IUPAC nomenclature of 2-aminopyridin-1-ium 3-carboxy-2-carboxymethyl-2-hydroxypropanoate has been grown by the slow evaporation method, and its molecular structure, crystalline nature, are analyzed by powder X-ray diffraction and FTIR analysis, revealed the existence of functional groups of molecules. UV visible absorption occurs at the lower cut-off wavelength of 265 nm and the optical constants such as absorption coefficient ( α ), energy band gap ( E g ), extinction coefficient ( K ), refractive index ( n  = 1.83), the real and imaginary parts of dielectric constants (ε1 and ε2), and dielectric loss were determined from the UV–Vis spectrum. The excitation band gap from the photoluminescence spectrum, the electrochemical band gap from the cyclic voltammeter, and the thermal stability from TG/DTA are determined. The second harmonic generation efficiency is 1.2 times higher than KDP.