title: Nonlinear optical properties, synthesis, structures and spectroscopic studies of N-(4-nitrobenzylidene)-o-fluoroamine and N-(3-nitrobenzylidene)-p-fluoroamine.
abstract: N-(4-nitrobenzylidene)-o-fluoroamine (1) and N-(3-nitrobenzylidene)-p-fluoroamine (2) have been synthesized. The crystal structures of both compounds have been defined by X-ray diffraction analysis, and characterized by FT-IR and UV-visible instrumental methods. The recorded spectrum by UV-visible spectroscopy for the investigated compounds show good transparency in the visible region, and have solvatochromic behavior in the UV region, implying nonzero microscopic first hyperpolarizability. We also report ab initio quantum chemical calculations of the electric dipole moments (mu) and the first hyperpolarizabilities (beta) of the studied compounds. Our results suggest that the investigated ligands might have microscopic nonlinear optical (NLO) behavior with nonzero values.
authors.affiliation: Selçuk University, Faculty of Arts and Sciences, Department of Physics, TR-42049 Campus, Konya, Turkey.
authors.forename: Asli
authors.initials: A
authors.lastname: Karakaş
authors.forename: Ayhan
authors.initials: A
authors.lastname: Elmali
authors.forename: Hüseyin
authors.initials: H
authors.lastname: Unver
authors.forename: Ingrid
authors.initials: I
authors.lastname: Svoboda
mesh_terms: D000588:Amines / Q000138:chemical synthesis / Q000737:chemistry*; D018360:Crystallography, X-Ray; D006845:Hydrocarbons, Fluorinated / Q000138:chemical synthesis / Q000737:chemistry*; D015394:Molecular Structure; D009578:Nitrobenzenes / Q000138:chemical synthesis / Q000737:chemistry*; D017711:Nonlinear Dynamics; D013057:Spectrum Analysis
chemical_list: D000588:Amines; D006845:Hydrocarbons, Fluorinated; C506565:N-(4-nitrobenzylidene)-o-fluoroamine; D009578:Nitrobenzenes