title: Nonlinear optical analyses of organic N-(9-Anthrylmethylidene) methylamine Schiff base.
abstract: The organic NLO Schiff base of N-(9-Anthrylmethylidene) methylamine was synthesized by condensation process. The material was characterized through Powder XRD, FT-IR, and Raman techniques. The various planes of reflection are identified from the Powder XRD pattern. The formation of Schiff base is confirmed through FT-IR and Raman analysis. The intra molecular charge transfer interaction and the existence of the first-order molecular hyperpolarizability (β) are identified from the red shift of the UV-Vis analysis. The structure of the molecule was optimized by density functional theory (DFT) using B3LYP method with 6-31G basis set. The NBO analysis is used to interpret the delocalization. The dipole moment and first hyperpolarizability values were also computed by HF/6-31G. These values indicate that the compound is a good candidate with nonlinear optical properties. This is the first time report on the existence of a second harmonic generation (SHG), χ(2), efficiency that has been identified by Powder Kurtz-Perry method.
authors.affiliation: PG and Research Department of Physics, Sri Paramakalyani College, Alwarkurichi, India.
authors.forename: S
authors.initials: S
authors.lastname: Vijayalakshmi
authors.forename: S
authors.initials: S
authors.lastname: Kalyanaraman
authors.forename: V
authors.initials: V
authors.lastname: Krishnakumar
mesh_terms: D008744:Methylamines / Q000737:chemistry*; D008958:Models, Molecular; D033362:Powder Diffraction; D011789:Quantum Theory; D012545:Schiff Bases / Q000737:chemistry*; D017550:Spectroscopy, Fourier Transform Infrared; D013059:Spectrum Analysis, Raman; D014961:X-Ray Diffraction
chemical_list: D008744:Methylamines; D012545:Schiff Bases; C027451:methylamine