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Experimental Investigation of the EPR Parameters and Molecular Orbital Bonding Coefficients for VO2+ Ion in NaH2PO4·2H2O Single Crystals

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dc.authorscopusid35074170300
dc.authorscopusid6603897211
dc.contributor.authorKalfaoǧlu, E.
dc.contributor.authorKarabulut, B.
dc.date.accessioned2020-06-21T13:32:02Z
dc.date.available2020-06-21T13:32:02Z
dc.date.issued2016
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Kalfaoǧlu] Emel, Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkey; [Karabulut] Bünyamin, Department of Computer Engineering, Ondokuz Mayis Üniversitesi, Samsun, Turkeyen_US
dc.description.abstractElectron paramagnetic resonance (EPR) spectra of VO2+ ions in NaH<inf>2</inf>PO<inf>4</inf>·2H<inf>2</inf>O single crystal have been studied. The spin-Hamiltonian parameters and molecular orbital bonding coefficients were calculated. The angular variation of the EPR spectra shows two different VO2+ complexes. These are located in different chemical environment and each environment contains four magnetically inequivalent VO2+ sites. The crystal field around VO2+ ion is approximately axially symmetric since a strong V=O bond distorts the crystal lattice. Spin Hamiltonian parameters and molecular orbital bonding coefficients were calculated from the EPR data and the nature of bonding in the complex was discussed together. © 2016 Elsevier B.V.en_US
dc.identifier.doi10.1016/j.physb.2016.06.002
dc.identifier.endpage22en_US
dc.identifier.issn0921-4526
dc.identifier.scopus2-s2.0-84974715257
dc.identifier.scopusqualityQ2
dc.identifier.startpage19en_US
dc.identifier.urihttps://doi.org/10.1016/j.physb.2016.06.002
dc.identifier.volume497en_US
dc.identifier.wosWOS:000380411100005
dc.identifier.wosqualityQ2
dc.language.isoenen_US
dc.publisherElsevier B.V.en_US
dc.relation.ispartofPhysica B-Condensed Matteren_US
dc.relation.journalPhysica B-Condensed Matteren_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectBonding Coefficientsen_US
dc.subjectEPRen_US
dc.subjectSDPDen_US
dc.subjectSingle Crystalen_US
dc.subjectTetragonalityen_US
dc.subjectVO2+ Ionsen_US
dc.titleExperimental Investigation of the EPR Parameters and Molecular Orbital Bonding Coefficients for VO2+ Ion in NaH2PO4·2H2O Single Crystalsen_US
dc.typeArticleen_US
dspace.entity.typePublication

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