Nonlinear optical analyses of organic N-(9-Anthrylmethylidene) methylamine Schiff base

•Schiff base of N-(9-Anthrylmethylidene) methylamine was synthesized.•Confirmation of the Schiff base through FT-IR and Raman tools.•UV–Vis analysis confirms the charge transfer interaction.•Calculation of first-order molecular hyperpolarizability by computation method.•SHG efficiency was confirmed by Kurtz–Perry method for the first time.

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), χ2, efficiency that has been identified by Powder Kurtz–Perry method.

Graphical abstractThe optimized structure of the titled compound N-(9-Anthrylmethylidene) methylamine Schiff base and it happens to be a nonlinear optical material.Figure optionsDownload full-size imageDownload as PowerPoint slide