Experimental and Theoretical Vibrational Spectroscopic Study of Zinc (II) Halide Complexes of 4-Acetylpyridine

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dc.contributor.authorErdogdu, Y.
dc.contributor.authorSertbakan, T. R.
dc.contributor.authorDereli, O.
dc.contributor.authorGulluoglu, M. T.
dc.contributor.authorYurdakul, S.
dc.date.accessioned2024-02-23T14:49:04Z
dc.date.available2024-02-23T14:49:04Z
dc.date.issued2017
dc.departmentNEÜen_US
dc.description.abstractIn the present work, we present a detailed experimental and theoretical study of the zinc (II) halide complexes of 4-acetylpyridine (abbreviated as 4-Ap) (Zn (L)(2) X-2, [where L: C7OH7N; X: Cl, Br and I]). The infrared and Raman spectra of the zinc (II) halide complexes of 4-Ap have been recorded between 400-4000 cm(-1) and 5-3500 cm(-1) regions, respectively. The analysis of the FT-IR and FT-Raman spectra indicates that some structure-spectra correlations. For a given series of isomorphous complexes, the sum of the differences between the values of the vibrational modes of uncoordinated 4-Ap was found to increase in order of second ionization potentials of metal. The molecular geometry and vibrational frequencies of the zinc (II) halide complexes of 4-Ap in the ground state have been calculated by using the Density Functional Method (B3LYP) with LANL2DZ and SDD as basis sets. A complete assignment of the fundamentals was proposed based on the total energy distribution (TED) calculation.en_US
dc.identifier.endpage563en_US
dc.identifier.issn2147-1762
dc.identifier.issue4en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage553en_US
dc.identifier.urihttps://hdl.handle.net/20.500.12452/17963
dc.identifier.volume30en_US
dc.identifier.wosWOS:000418818000042en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.language.isoenen_US
dc.publisherGazi Univen_US
dc.relation.ispartofGazi University Journal Of Scienceen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectInfrared Spectraen_US
dc.subjectRaman Spectraen_US
dc.subjectDensity Functional Theoryen_US
dc.subject4-Acetylpyridineen_US
dc.subjectZinc (Ii) Halide Complexesen_US
dc.titleExperimental and Theoretical Vibrational Spectroscopic Study of Zinc (II) Halide Complexes of 4-Acetylpyridineen_US
dc.typeArticleen_US

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