Linear optical transmission measurements and computational study of linear polarizabilities, first hyperpolarizabilities of a dinuclear iron(III) complex

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dc.contributor.authorKarakas, Ash
dc.contributor.authorElmali, Ayhan
dc.contributor.authorUnver, Huseyin
dc.date.accessioned2020-03-26T17:17:38Z
dc.date.available2020-03-26T17:17:38Z
dc.date.issued2007
dc.departmentSelçuk Üniversitesien_US
dc.description.abstractThe 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.en_US
dc.identifier.doi10.1016/j.saa.2006.12.029en_US
dc.identifier.endpage572en_US
dc.identifier.issn1386-1425en_US
dc.identifier.issue3en_US
dc.identifier.pmid17353142en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage567en_US
dc.identifier.urihttps://dx.doi.org/10.1016/j.saa.2006.12.029
dc.identifier.urihttps://hdl.handle.net/20.500.12395/21458
dc.identifier.volume68en_US
dc.identifier.wosWOS:000250607900027en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherPERGAMON-ELSEVIER SCIENCE LTDen_US
dc.relation.ispartofSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPYen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.selcuk20240510_oaigen_US
dc.subjectstatic linear polarizabilityen_US
dc.subjectstatic first hyperpolarizabilityen_US
dc.subjectfrequency-dependent linear polarizabilityen_US
dc.subjectfrequency-dependent first hyperpolarizabilityen_US
dc.subjectab-initio calculationen_US
dc.titleLinear optical transmission measurements and computational study of linear polarizabilities, first hyperpolarizabilities of a dinuclear iron(III) complexen_US
dc.typeArticleen_US

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