Determination of Dipole Polarizabilities and Second Hyperpolarizabilities in Alkynyl-Ruthenium Complexes Using Quantum-Chemical Calculations

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dc.contributor.authorKarakas, A.
dc.contributor.authorDag, T.
dc.contributor.authorMigalska-Zalas, A.
dc.contributor.authorFillaut, Jean-Luc
dc.contributor.authorSahraoui, B.
dc.date.accessioned2020-03-26T18:41:28Z
dc.date.available2020-03-26T18:41:28Z
dc.date.issued2013
dc.departmentSelçuk Üniversitesien_US
dc.description15th International Conference on Transparent Optical Networks (ICTON) -- JUN 23-27, 2013 -- Cartagena, SPAINen_US
dc.description.abstractTo investigate dispersion-free third-order nonlinear optical (NLO) behaviour of a series of ruthenium complexes, static dipole polarizabilities (alpha) and second hyperpolarizabilities (gamma) have been determined by time-dependent Hartree-Fock (TDHF) method. To provide an insight into the frequency-dependent third-order NLO phenomena of the title compounds, the dynamic dipole polarizabilities and second hyperpolarizabilities using TDHF procedure have been also computed at the wavelengths used in third-harmonic generation (THG) measurements. According to the computation results, the examined molecules exhibit second hyperpolarizabilities with non-zero values, implying microscopic third-order NLO behaviour. To compare our theoretical results on third-order NLO manner with corresponding experimental data, we also give the calculation results of the dynamic third-order susceptibilities (X-(3)) for the studied complexes.en_US
dc.description.sponsorshipUniv Politecnica Cartagena, IEEE, IEEE Photon Soc, Natl Inst Telecommunicat, Inst Lacznosci, Escuela Tecnica Super Ingn Telecomunicacen_US
dc.identifier.isbn978-1-4799-0683-3
dc.identifier.issn2162-7339en_US
dc.identifier.scopusqualityN/Aen_US
dc.identifier.urihttps://hdl.handle.net/20.500.12395/29365
dc.identifier.wosWOS:000333178300229en_US
dc.identifier.wosqualityN/Aen_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherIEEEen_US
dc.relation.ispartof2013 15TH INTERNATIONAL CONFERENCE ON TRANSPARENT OPTICAL NETWORKS (ICTON 2013)en_US
dc.relation.ispartofseriesInternational Conference on Transparent Optical Networks-ICTON
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.selcuk20240510_oaigen_US
dc.subjectdipole polarizabilityen_US
dc.subjectsecond hyperpolarizabilityen_US
dc.subjectthird-order susceptibilityen_US
dc.subjecttime-dependent Hartree-Focken_US
dc.subjectoptical Kerr effecten_US
dc.titleDetermination of Dipole Polarizabilities and Second Hyperpolarizabilities in Alkynyl-Ruthenium Complexes Using Quantum-Chemical Calculationsen_US
dc.typeConference Objecten_US

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