Yazar "Karakas, Ash" seçeneğine göre listele

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    Linear optical transmission measurements and computational study of linear polarizabilities, first hyperpolarizabilities of a dinuclear iron(III) complex
    (PERGAMON-ELSEVIER SCIENCE LTD, 2007) Karakas, Ash; Elmali, Ayhan; Unver, Huseyin
    The optical transmission spectral study of a dinuclear metal complex [FeL(MeOH)Cl](2) (L = N-(5-methylphenyl)-3-methoxysaticylaldimine) has been carried out. The linear optical characterization shows that this molecule has transparency in the visible range. To understand linear optical and microscopic second-order nonlinear optical (NLO) behavior of the compound, we have computed the electric dipole moment (mu) and dispersion-free first hyperpolarizabilities (beta) using Finite Field second-order Moller-Plesset perturbation (FF MP2) procedure; and also dispersion-free linear polarizabilities (alpha), frequency-dependent linear polarizabilities within the linear optical spectrum and first hyperpolarizabilities lambda = 730-1050 and 1000-1400 ran wavelength areas using time-dependent Hartree-Fock (TDHF) method. The ab-initio calculation results reveal that the examined complex might have linear optical and microscopic NLO behavior with non-zero values. (C) 2006 Elsevier B.V. All rights reserved.
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    Synthesis, spectroscopic studies and nonlinear optical behavior of N,N '-bis(2-hydroxy-1-naphthylmethylidene)-1-methyl-1, 2-diaminoethane-N,N ',O,O '-nickel(II)
    (ELSEVIER SCIENCE BV, 2006) Unver, Huseyin; Elmali, Ayhan; Karakas, Ash; Kara, Hulya; Donmez, Emine
    A Schiff base complex N,N'-bis(2-hydroxy-1-naphthylmethylidene)-1-methyl-1,2- diaminoethane-N,N',O,O'-nickel(II) has been synthesized. The title compound has been characterized by FT-IR and UV-vis spectroscopies. The UV-vis experiments indicate that the compound has solvatochromism in the UV region, implying non-zero molecular first hyperpolarizability. To investigate microscopic second-order nonlinear optical (NLO) behavior of the examined complex, the electric dipole moments (mu) and the first static hyperpolarizabilities (beta) were computed using Finite Field second-order Moller Plesset (FF MP2) perturbation procedure. According to ab initio quantum mechanical calculations, the title complex exhibits non-zero P values, revealing microscopic second-order NLO behavior. (c) 2006 Elsevier B.V. All rights reserved.
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    Synthesis, structure, spectroscopic studies and ab-initio calculations on first hyperpolarizabilities of NN '-bis(2-hydroxy-1-naphthyl-methylidene)-1-methyl-1,2-diaminoethane-N,N ',O,O '-copper(II)
    (WALTER DE GRUYTER GMBH, 2006) Karakas, Ash; Elmali, Ayhan; Unver, Huseyin; Kara, Hulya; Yahsi, Yasemin
    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 (mu) and the first static hyperpolarizabilities (0) were carried out. The computational results suggest that the complex may indeed have microscopic NLO behavior with non-zero values.
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    Third-Order Nonlinear Optical Behavior of 5,11,17,23-Tetracyano-25,26,27,28-Tetrahydroxycalix[4]arene: Ab-initio Quantum Mechanical Calculations
    (IEEE, 2011) Karakas, Ash; Ayhan, Elif
    A potential nonlinear optical (NLO) compound has been designed. To provide an insight into the microscopic NLO properties of the title molecule, both dispersion-free (static) and also frequency-dependent (dynamic) linear polarizabilities (alpha) and third-order hyperpolarizabilities (gamma) at lambda = 825 - 1125 nm and 1050 - 1600 nm wavelength areas have been computed using time-dependent Hartree-Fock (TDHF) method. The ab-initio quantum mechanical results on (hyper)polarizabilities show that the examined compound might have microscopic third-order NLO phenomena with non-zero values.