Synthesis, spectroscopy, and characterization of some bis-nicotinamide metal(II) dihalide complexes

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dc.contributor.authorAtaç A.
dc.contributor.authorYurdakul Ş.
dc.contributor.authorBerber S.
dc.date.accessioned2024-07-22T08:19:55Z
dc.date.available2024-07-22T08:19:55Z
dc.date.issued2011
dc.description.abstractWe report synthesis of six new bis-nicotinamide metal(II) dihalide complexes [M(nia) 2Cl 2; M = Mn, Co; nia:nicotinamide, M(nia) 2Br 2; M = Mn, Hg; M(nia) 2I 2; M = Cd, Cu], and their characterization by combining infrared spectroscopy with density functional theory (DFT) calculations. Infrared spectra indicate that ring-nitrogen is the active donor cite, and the atomic structure of the complexes is determined to be polymeric octahedral or distorted polymeric octahedral. Spin polarized electronic ground state is obtained for Mn, Co, and Cu halide complexes. The colors of the complexes also support the conclusion of octahedral coordination around the metal atoms, in agreement with DFT results. © 2011 Elsevier B.V. All Rights Reserved.
dc.identifier.DOI-ID10.1016/j.saa.2011.07.002
dc.identifier.issn13861425
dc.identifier.urihttp://akademikarsiv.cbu.edu.tr:4000/handle/123456789/17904
dc.language.isoEnglish
dc.subjectChemistry, Analytic
dc.subjectCoordination Complexes
dc.subjectHalogens
dc.subjectMetals
dc.subjectModels, Biological
dc.subjectModels, Molecular
dc.subjectMolecular Dynamics Simulation
dc.subjectNiacinamide
dc.subjectOrganometallic Compounds
dc.subjectSpectrum Analysis
dc.subjectAmides
dc.subjectAtomic spectroscopy
dc.subjectChlorine compounds
dc.subjectCobalt compounds
dc.subjectDensity functional theory
dc.subjectInfrared spectroscopy
dc.subjectManganese
dc.subjectMercury (metal)
dc.subjectMetal halides
dc.subjectMetals
dc.subjectPolymers
dc.subjectcoordination compound
dc.subjecthalogen
dc.subjectmetal
dc.subjectnicotinamide
dc.subjectorganometallic compound
dc.subjectDensity functional theory calculations
dc.subjectDFT
dc.subjectElectronic ground state
dc.subjectHalide complexes
dc.subjectInfrared spectra
dc.subjectInfrared spectrum
dc.subjectMetal atoms
dc.subjectMetal halide complexes
dc.subjectNicotinamide
dc.subjectOctahedral coordination
dc.subjectSpin-polarized
dc.subjectarticle
dc.subjectbiological model
dc.subjectchemical structure
dc.subjectchemistry
dc.subjectmolecular dynamics
dc.subjectspectroscopy
dc.subjectsynthesis
dc.subjectCoordination reactions
dc.titleSynthesis, spectroscopy, and characterization of some bis-nicotinamide metal(II) dihalide complexes
dc.typeArticle

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