A density functional theory study of [(4-aminophenyl)imino]methyl-6-methoxy-4-nitrophenol complexes with Co, Ni, Cu and Zn metals

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dc.authorid0000-0001-6314-3365
dc.contributor.authorFellah, Mehmet Ferdi
dc.contributor.authorBakirdere, Emine Gulhan
dc.contributor.authorCanpolat, Erdal
dc.contributor.authorKaya, Mehmet
dc.date.accessioned2021-03-20T20:15:31Z
dc.date.available2021-03-20T20:15:31Z
dc.date.issued2014
dc.departmentBTÜ, Mühendislik ve Doğa Bilimleri Fakültesi, Kimya Mühendisliği Bölümüen_US
dc.description.abstractThe optimization and IR spectra of the [(4-aminophenyl)imino]methyl-6-methoxy-4-nitrophenol and its complexes with Co, Ni, Cu and Zn metals were determined by means of density functional theory (DFT) calculations using B3LYP formalism. The optimized geometries of complexes have tetrahedral structures. The C=N, C-O and N-H stretching frequency values were calculated to be in good agreement with experimental frequency data for ligand and its complexes with metals. All calculated frequencies are within 1.1% of the regions of experimental frequencies.en_US
dc.identifier.endpage1326en_US
dc.identifier.issn0019-4522
dc.identifier.issue7en_US
dc.identifier.scopusqualityQ4en_US
dc.identifier.startpage1321en_US
dc.identifier.urihttps://hdl.handle.net/20.500.12885/1204
dc.identifier.volume91en_US
dc.identifier.wosWOS:000350096300016en_US
dc.identifier.wosqualityQ4en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.institutionauthorFellah, Mehmet Ferdi
dc.language.isoenen_US
dc.publisherScientific Publ-Indiaen_US
dc.relation.ispartofJournal Of The Indian Chemical Societyen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectDFTen_US
dc.subjectSchiff baseen_US
dc.subjecttransition metal complexen_US
dc.titleA density functional theory study of [(4-aminophenyl)imino]methyl-6-methoxy-4-nitrophenol complexes with Co, Ni, Cu and Zn metalsen_US
dc.typeArticleen_US

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