Structural characterization and second-order nonlinear optical behavior of metal complexes of ferrocene derivative

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dc.contributor.authorDeveci, P.
dc.contributor.authorTaner, B.
dc.contributor.authorÖzcan, E.
dc.contributor.authorKılıç, Z.
dc.contributor.authorKarakaya, M.
dc.contributor.authorKarakas, A.
dc.date.accessioned2020-03-26T20:19:19Z
dc.date.available2020-03-26T20:19:19Z
dc.date.issued2019
dc.departmentSelçuk Üniversitesi, Fen Fakültesi, Kimya Bölümüen_US
dc.description.abstractIn this manuscript, a ferrocene-linked vic-dioxime ligand (LH2) and its metal complexes [Ni(LH)(2), Cu(LH)(2), Co(LH)(2)(H2O)(2), Cd(LH)(H2O)(Cl), and Zn(LH)(H2O)(Cl)] are synthesized, and their structures are studied by spectral methods. Redox behavior of the compounds is studied by cyclic voltammetry (CV). For approaching microscopic second-order nonlinear optical (NLO) behavior of the synthesized ligand and its diamagnetic Cd(II), Zn(II), Ni(II) complexes, the electric dipole moment , static dipole polarizability , and first hyperpolarizability values are computed using ab-initio quantum chemical procedure [finite field (FF)]. The accumulated data indicate that the compounds exhibit non-zero quadratic hyperpolarizability tensor components, implying microscopic NLO phenomena. The HOMOs, LUMOs and the HOMOLUMO band gaps for first and second frontier orbitals of LH2 ligand and its Cd(II), Zn(II), Ni(II) complexes are evaluated by means of the Hartree-Fock (HF) method.en_US
dc.description.sponsorshipTUBITAK (Scientific and Technological Research Council of Turkey)Turkiye Bilimsel ve Teknolojik Arastirma Kurumu (TUBITAK) [111T970]; SU BAPSelcuk University [13401023, 18701120]en_US
dc.description.sponsorshipThis work was supported by TUBITAK (Scientific and Technological Research Council of Turkey) with project numbers of 111T970 and SU BAP with projects numbers of 13401023 and 18701120.en_US
dc.identifier.citationDeveci, P., Taner, B., Özcan, E., Kılıç, Z., Karakaya, M., Karakas, A. (2019). Structural Characterization and Second-Order Nonlinear Optical Behavior of Metal Complexes of Ferrocene Derivative. Russian Journal of General Chemistry, 89(2), 330-338.
dc.identifier.doi10.1134/S1070363219020269en_US
dc.identifier.endpage338en_US
dc.identifier.issn1070-3632en_US
dc.identifier.issn1608-3350en_US
dc.identifier.issue2en_US
dc.identifier.scopusqualityQ4en_US
dc.identifier.startpage330en_US
dc.identifier.urihttps://dx.doi.org/10.1134/S1070363219020269
dc.identifier.urihttps://hdl.handle.net/20.500.12395/38209
dc.identifier.volume89en_US
dc.identifier.wosWOS:000463789500026en_US
dc.identifier.wosqualityQ4en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.institutionauthorDeveci, P.
dc.institutionauthorTaner, B.
dc.institutionauthorÖzcan, E.
dc.institutionauthorKarakas, A.
dc.language.isoenen_US
dc.publisherMAIK NAUKA/INTERPERIODICA/SPRINGERen_US
dc.relation.ispartofRUSSIAN JOURNAL OF GENERAL CHEMISTRYen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.selcuk20240510_oaigen_US
dc.subjectmetal complexen_US
dc.subjectredox propertyen_US
dc.subjectferroceneen_US
dc.subjectnonlinear opticsen_US
dc.subjectfinite fielden_US
dc.subjectHOMOLUMOen_US
dc.titleStructural characterization and second-order nonlinear optical behavior of metal complexes of ferrocene derivativeen_US
dc.typeArticleen_US

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