Experimental and theoretical interpretations of structural, optical, mechanical and thermal properties of 2-aminopyridinium phthalate single crystals

Nonlinear optical good quality single crystals of 2-aminopyridinium phthalate single crystals are synthesized by solution growth technique. Structural parameters are elucidated by Single Crystal X-ray diffraction method which reveals that the material crystallizes in non-centrosymmetric crystalline framework. Vibrational assignments are interpreted by Fourier Transform Infrared spectral analysis. The thermal, mechanical and laser stability are explored by TG/DTA, microhardness and Laser Damage threshold analysis. The material has good emission nature in the violet emission region. The linear optical properties are elucidated with the help of UV-visible spectral analysis. The intermolecular charge transfer interactions are analyzed by HOMO-LUMO and MESP maps by using Gaussian '09 software program. The second harmonic generation efficiency of the synthesized material are predicted by Kurtz Perry powder technique.