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Öğe Synthesis, structure, spectroscopic studies and ab-initio calculations on first hyperpolarizabilities of N,N'-bis(2-hydroxy-1-naphthyl-methylidene)-1- methyl-1,2-diaminoethane-N,N',O,O'-copper(II)(Verlag der Zeitschrift fur Naturforschung, 2006) Karakaş A.; Elmali A.; Ünver H.; Kara H.; Yahsi Y.N,N'-Bis(2-hydroxy-1-naphthylmethylidene)-1-methyl-1,2-diaminoethane-N,N', O,O'-copper(II) has been synthesized, and characterized by FT-IR and UV/vis spectroscopies. Its crystal structure has been determined by X-ray diffraction analysis. The maximum absorption wavelengths recorded by linear optical experiments are estimated in the UV region to be shorter than 450 nm, showing good optical transparency to the visible light. It may thus possess first hyperpolarizabilities with non-zero values for nonlinear optical (NLO) applications. Ab-initio quantum chemical calculations of the electric dipole moments (?) and the first static hyperpolarizabilities (?) were carried out. The computational results suggest that the complex may indeed have microscopic NLO behavior with non-zero values. © 2006 Verlag der Zeitschrift für Naturforschung.Öğe Third-order nonlinear optical properties of copper(II)bis{2-[(4-iodophenyl) iminomethyl]-6-methoxy-phenolate}(Verlag der Zeitschrift fur Naturforschung, 2006) Yaglioglu H.G.; Karakaş A.; Ünver H.; Elmali A.Copper(II)bis{2-[(4-iodophenyl)iminomethyl]-6-methoxy-phenolate} has been synthesized, characterized by UV-visible spectroscopy, and its crystal structure determined by X-ray diffraction. The Cu atom is situated on a twofold axis and the geometry around the metal centre can be described as distorted square planar with a trans configuration. The absorption maxima are shorter than 450 nm, giving rise to good optical transparency in the visible and near IR. To reveal the microscopic third-order NLO properties, the static second hyperpolarizabilities have been evaluated by using the ab initio time-dependent Hartree-Fock (TDHF) method. According to the results, the title complex exhibits non-zero y values, implying microscopic third-order NLO behavior. © 2006 Verlag der Zeitschrift für Naturforschung.