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    Nonlinear optical properties of some derivatives of salicylaldimine-based ligands
    (ELSEVIER SCIENCE BV, 2004) Karakas, A; Elmali, A; Unver, H; Svoboda, I
    A series of potential nonlinear optical (NLO) compounds, (-OH) and (-Cl) substituted derivatives of salicylaldimine-based ligands 1-6 (Fig. 2), was designed and synthesized. Compounds 1 and 2 were characterized by X-ray diffraction analysis, elemental analysis, IR, H-1-NMR, C-13-NMR and UV-Visible spectroscopies. The electric dipole moments (mu) and the first hyperpolarizabilities (beta) of the compounds 1-6 were calculated using ab-initio quantum calculations (finite field Moller Plesset perturbation theory). The calculation results reveal that the substituent positions play a significant role in NLO properties of these compounds. (C) 2004 Elsevier B.V. All rights reserved.
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    Nonlinear optical properties, synthesis, structures and spectroscopic studies of N-(4-nitrobenzylidene)-o-fluoroamine and N-(3-nitrobenzylidene) p-fluoroamine
    (PERGAMON-ELSEVIER SCIENCE LTD, 2005) Karakas, A; Elmali, A; Unver, H; Svoboda, I
    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. (c) 2004 Published by Elsevier B.V.
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    Study on the second order optical properties of N-(2,4-dichloro)-salicylaldimine
    (VERLAG Z NATURFORSCH, 2005) Karakas, A; Unver, H; Elmali, A; Svoboda, I
    N-(2,4-Dichloro)-salicylaldimine was synthesized, characterized by elemental analysis, FT-IR, and UV-visible spectroscopy, and its crystal structure was determined. The title compound is almost planar and contains short intramolecular O-H center dot center dot center dot N hydrogen bonds [O1-N1 2.601(1) A]. It remains transparent in the visible region and has solvatochromic behavior in the UV region in the range 198 349 nm, implying non-zero microscopic first hyperpolarizability. The ab-initio quantum mechanical calculations (finite field second-order Moller Plesset perturbation theory) of the studied compound have been carried out to compute the electric dipole moment (mu) and the first hyperpolarizability (beta) values. The ab-initio results also show that this ligand might have microscopic nonlinear optical behavior with non-zero values.