Structural Characterization and Second-Order Nonlinear Optical Behavior of Metal Complexes of Ferrocene Derivative

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dc.authoridKarakaya, Mustafa/0000-0001-6663-9008
dc.authoridDeveci, Pervin/0000-0002-0981-5375
dc.authoridKARAKAS, ASLI/0000-0002-9034-5840
dc.contributor.authorDeveci, P.
dc.contributor.authorTaner, B.
dc.contributor.authorOzcan, E.
dc.contributor.authorKilic, Z.
dc.contributor.authorKarakaya, M.
dc.contributor.authorKarakas, A.
dc.date.accessioned2025-03-23T19:31:37Z
dc.date.available2025-03-23T19:31:37Z
dc.date.issued2019
dc.departmentSinop Üniversitesi
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.
dc.description.sponsorshipTUBITAK (Scientific and Technological Research Council of Turkey) [111T970]; SU BAP [13401023, 18701120]
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.
dc.identifier.doi10.1134/S1070363219020269
dc.identifier.endpage338
dc.identifier.issn1070-3632
dc.identifier.issn1608-3350
dc.identifier.issue2
dc.identifier.scopus2-s2.0-85063989967
dc.identifier.scopusqualityQ3
dc.identifier.startpage330
dc.identifier.urihttps://doi.org/10.1134/S1070363219020269
dc.identifier.urihttps://hdl.handle.net/11486/5320
dc.identifier.volume89
dc.identifier.wosWOS:000463789500026
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherMaik Nauka/Interperiodica/Springer
dc.relation.ispartofRussian Journal of General Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250323
dc.subjectmetal complex
dc.subjectredox property
dc.subjectferrocene
dc.subjectnonlinear optics
dc.subjectfinite field
dc.subjectHOMOLUMO
dc.titleStructural Characterization and Second-Order Nonlinear Optical Behavior of Metal Complexes of Ferrocene Derivative
dc.typeArticle

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