Double vanadyl-carrying phenanthroline complexes: template synthesis and DFT study

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dc.authoridulucam, guhergul/0000-0001-6481-8483
dc.authoridOkan, Sevket Erol/0000-0002-1707-2671
dc.contributor.authorUlucam, Guhergul
dc.contributor.authorYenturk, Busra
dc.contributor.authorOkan, Sevket Erol
dc.contributor.authorAktas, Saban
dc.date.accessioned2024-06-12T11:12:20Z
dc.date.available2024-06-12T11:12:20Z
dc.date.issued2020
dc.departmentTrakya Üniversitesien_US
dc.description.abstractThree new Oxo vanadium(IV) complexes were synthesized by the template reactions of 1,10-phenanthroline-2-carboxyaldehyde and vanadium(IV) sulfate with three different diamines. The structures of complexes were elucidated by measuring their FT-IR, UV-Vis, LC/+ ESI MS spectra and thermogravimetric analysis and molar conductance. Meantime, the molecular configuration of complexes and their FT-IR spectra were calculated at B3LYP level with the density functional theory. The LanL2DZ basis set was used for the optimization of the complexes, whilst the 6-311G basis set was used for the calculation of infrared spectra. The length of the coordinate bonds of the complexes was obtained together with parameters such as the bond angles, the dihedral angles, and HOMO-LUMO level energies. The individual FT-IR spectrum for each complex obtained from the density functional theory was found to be in good agreement with that of the experimental FT-IR spectrum.en_US
dc.identifier.doi10.1007/s11696-019-01037-9
dc.identifier.endpage1889en_US
dc.identifier.issn2585-7290
dc.identifier.issn1336-9075
dc.identifier.issue6en_US
dc.identifier.scopus2-s2.0-85076885147en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage1881en_US
dc.identifier.urihttps://doi.org/10.1007/s11696-019-01037-9
dc.identifier.urihttps://hdl.handle.net/20.500.14551/23130
dc.identifier.volume74en_US
dc.identifier.wosWOS:000527016000017en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherSpringer International Publishing Agen_US
dc.relation.ispartofChemical Papersen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectPhenanthrolineen_US
dc.subjectTemplate Synthesisen_US
dc.subjectVO(IV)en_US
dc.subjectTG-DTAen_US
dc.subjectDFTen_US
dc.subjectSchiff-Base Complexesen_US
dc.subjectOxovanadium(Iv) Complexesen_US
dc.subjectCrystal-Structureen_US
dc.subjectDna-Bindingen_US
dc.subjectLigandsen_US
dc.subjectVanadium(Iv)en_US
dc.subjectCopper(Ii)en_US
dc.titleDouble vanadyl-carrying phenanthroline complexes: template synthesis and DFT studyen_US
dc.typeArticleen_US

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