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dc.contributor.authorElerman, Yalçın
dc.contributor.authorKara, Hülya
dc.contributor.authorElmalı, Ayhan
dc.date.accessioned2019-10-17T07:58:32Z
dc.date.available2019-10-17T07:58:32Z
dc.date.issued2003en_US
dc.identifier.issn0932-0784
dc.identifier.urihttps://hdl.handle.net/20.500.12462/7802
dc.descriptionKara, Hülya (Balikesir Author)en_US
dc.description.abstractThe synthesis and characterization of [Cu-2(L-1)(3,5 prz)] (L-1=1,3-Bis(2-hydroxy-3,5-chlorosalicylideneamino)propan-2-ol) 1 and of [Cu-2(L-2)(3,5 prz)] (L-2=1 3-Bis(2-hydroxy-bromosalicylideneamino)propan-2-ol) 2 are reported. The compounds were studied by elemental analysis, infrared and electronic spectra. The structure of the Cu-2(L-1)(3,5 prz)] complex was determined by x-ray diffraction. The magnetochemical characteristics of these compounds were determined by temperature-dependent magnetic susceptibility measurements, revealing their antiferromagnetic coupling. The superexchange coupling constants are 210 cm(-1) for 1 and 440 cm(-1) for 2. The difference in the magnitude of the coupling constants was explained by the metal-ligand orbital overlaps and confirmed by ab-initio restricted Hartree-Fock (RHF) calculations. In order to determine the nature of the frontier orbitals, Extended Huckel Molecular Orbital (EHMO) calculations are also reported.en_US
dc.language.isoengen_US
dc.publisherVerlag Z Naturforschen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectDinuclear Copper(İİ) Complexen_US
dc.subjectAntiferromagnetic Couplingen_US
dc.subjectOverlap İnteractionen_US
dc.subjectCalculationen_US
dc.subjectAb-İnitio Restricted Hartree-Fock Molecular Orbitalen_US
dc.subjectCountercomplementary Effecten_US
dc.titleRelation between magnetic, spectroscopic and structural properties of binuclear copper(II) complexes of pentadentate Schiff-base ligand, semi-empirical and ab-initio calculationsen_US
dc.typearticleen_US
dc.relation.journalZeitschrift Fur Naturforschung Section A-A Journal of Physical Sciencesen_US
dc.contributor.departmentFen Edebiyat Fakültesien_US
dc.identifier.volume58en_US
dc.identifier.issue5-6en_US
dc.identifier.startpage363en_US
dc.identifier.endpage372en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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