研究目的

To synthesize and characterize a novel third-order nonlinear optical material, 4-acetylanilinium dihydrogen phosphate (4AADP) single crystals, and evaluate their potential for nonlinear optical devices.

研究成果

Good optical quality single crystals of 4-acetylanilinium dihydrogen phosphate were grown first time by the slow evaporation method using acetone as a solvent. The cell parameters have been calculated from single crystal XRD studies and it reveals 4AADP crystal belongs to the monoclinic system with centrosymmetric P21/c space group. The presence of different characteristics functional groups of the titular compound was confirmed through FT-IR and FT-Raman spectral studies. The molecular structure of 4AADP crystal was confirmed by using proton and carbon NMR spectral technique. From the UV-Vis-NIR spectrum, the lower cut-off wavelength, optical band gap and the refractive index of the 4AADP crystal were calculated and found to be 365 nm, 3.3 eV and 1.72 respectively. Thermal analysis infers that the 4AADP grown crystal was thermally stable up to 195 oC. Photoluminescence spectral analysis revealed that the electron excitation occurred in the blue region in the as-grown 4-acetylanilinium dihydrogen phosphate crystal. Theoretical calculations were made by density functional theory to compute Frontier molecular orbital energies of the 4AADP compound. The charge distribution of the titular compound was analyzed using the Mulliken population technique and the corresponding molecular electrostatic potentials are calculated. From third-order nonlinear optical measurements, the open and closed Z-scan curve showed that saturable absorption and self-defocusing nature of the 4-acetylanilinium dihydrogen phosphate material. Hence, the 4AADP crystal can be used to make devices for laser, photonics, and optoelectronics.

研究不足

The technical and application constraints of the experiments, as well as potential areas for optimization, were not explicitly mentioned in the paper.