dc.contributor.author | Elerman, Yalçın | |
dc.contributor.author | Kara, Hülya | |
dc.contributor.author | Elmalı, Ayhan | |
dc.date.accessioned | 2019-10-17T07:58:32Z | |
dc.date.available | 2019-10-17T07:58:32Z | |
dc.date.issued | 2003 | en_US |
dc.identifier.issn | 0932-0784 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12462/7802 | |
dc.description | Kara, Hülya (Balikesir Author) | en_US |
dc.description.abstract | The 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.iso | eng | en_US |
dc.publisher | Verlag Z Naturforsch | en_US |
dc.rights | info:eu-repo/semantics/openAccess | en_US |
dc.subject | Dinuclear Copper(İİ) Complex | en_US |
dc.subject | Antiferromagnetic Coupling | en_US |
dc.subject | Overlap İnteraction | en_US |
dc.subject | Calculation | en_US |
dc.subject | Ab-İnitio Restricted Hartree-Fock Molecular Orbital | en_US |
dc.subject | Countercomplementary Effect | en_US |
dc.title | Relation between magnetic, spectroscopic and structural properties of binuclear copper(II) complexes of pentadentate Schiff-base ligand, semi-empirical and ab-initio calculations | en_US |
dc.type | article | en_US |
dc.relation.journal | Zeitschrift Fur Naturforschung Section A-A Journal of Physical Sciences | en_US |
dc.contributor.department | Fen Edebiyat Fakültesi | en_US |
dc.identifier.volume | 58 | en_US |
dc.identifier.issue | 5-6 | en_US |
dc.identifier.startpage | 363 | en_US |
dc.identifier.endpage | 372 | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |