title: Linear optical transmission measurements and computational study of linear polarizabilities, first hyperpolarizabilities of a dinuclear iron(III) complex.
abstract: The optical transmission spectral study of a dinuclear metal complex [FeL(MeOH)Cl]2 (L=N-(5-methylphenyl)-3-methoxysalicylaldimine) 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 MØller-Plesset perturbation (FF MP2) procedure; and also dispersion-free linear polarizabilities (alpha), frequency-dependent linear polarizabilities within the linear optical spectrum and first hyperpolarizabilities at lambda=730-1050 and 1000-1400 nm 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.
authors.affiliation: Department of Physics, Faculty of Arts and Sciences, Selçuk University, 42049 Campus, Konya, Turkey. karakasasli@yahoo.com
authors.forename: Asli
authors.initials: A
authors.lastname: Karakas
authors.forename: Ayhan
authors.initials: A
authors.lastname: Elmali
authors.forename: Huseyin
authors.initials: H
authors.lastname: Unver
mesh_terms: D007501:Iron / Q000737:chemistry*; D055095:Optics and Photonics
chemical_list: D007501:Iron