Karakas, AshElmali, AyhanUnver, Huseyin2020-03-262020-03-2620071386-1425https://dx.doi.org/10.1016/j.saa.2006.12.029https://hdl.handle.net/20.500.12395/21458The 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.en10.1016/j.saa.2006.12.029info:eu-repo/semantics/closedAccessstatic linear polarizabilitystatic first hyperpolarizabilityfrequency-dependent linear polarizabilityfrequency-dependent first hyperpolarizabilityab-initio calculationArticle68356757217353142Q2WOS:000250607900027Q2