Structural, spectral, and third-order nonlinear optical analysis of solution-grown allylammonium hydrogen oxalate hemihydrate crystal for laser applications

• Published in: Journal of materials science. Materials in electronics 2023-03, Vol.34 (7), p.688, Article 688
• Main Authors: Saranya, K., Muhildharani, E., Raja, C. Ramachandra
• Format: Article
• Language: English
• Subjects: Characterization and Evaluation of Materials; Chemical bonds; Chemistry and Materials Science; Cut off wavelength; Defocusing; Functional groups; Hydrogen bonds; Laser applications; Materials Science; Molecular structure; NMR; Nonlinear optics; Nuclear magnetic resonance; Optical and Electronic Materials; Optical measuring instruments; Optical properties; Optical switching; Optoelectronics; Organic crystals; Single crystals; Spectrum analysis; Vibration mode
• ISSN: 0957-4522; 1573-482X
• DOI: 10.1007/s10854-023-10118-1

An organic crystal, allylammonium hydrogen oxalate hemihydrate (AHOH) is grown by slow evaporation of the solvent. The cell constants and C2/c space group have been determined by single-crystal X-ray diffraction (SCXRD) analysis. Functional groups have been interpreted using FTIR spectral analysis, and their vibrational modes are assigned. Optical parameters like nature of transmittance, lower cutoff wavelength (225 nm), and optical band gap ( E g = 4.89 eV) are found using UV–Vis–NIR spectrum. The crystal exhibits its optical transparency from 225 nm and makes AHOH an ideal material to generate UV wavelengths. Transmission in the entire visible region makes it to be a suitable material in optoelectronic applications. 13 C and 1 H NMR spectroscopic analysis has been carried out to assess the molecular structure of AHOH. The third-order NLO characteristics have been found by Z-scan analysis, and AHOH manifests the saturable absorption and self-defocusing effects. These properties suit the crystal for optical sensors and optical switching applications. The third-order nonlinear optical susceptibility (χ 3 ) is found to be 1.65206 × 10 −7 esu. The presence of N–H⋯O and O–H⋯O hydrogen bonds in the molecular structure is the reason for the observed high χ 3 value. The results imply that AHOH is a good choice for NLO and optoelectronic applications.