Polymeric structures in aluminium and gallium halides

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dc.authorwosidönem, zeynep cicek/AAD-4229-2020
dc.contributor.authorAkdeniz, Z
dc.contributor.authorÇaliskan, M
dc.contributor.authorÇiçek, Z
dc.contributor.authorTosi, MP
dc.date.accessioned2024-06-12T11:07:15Z
dc.date.available2024-06-12T11:07:15Z
dc.date.issued2000
dc.departmentTrakya Üniversitesien_US
dc.description.abstractThe anionic species (AlnX3n+1)(-) with X = Cl or Pr and n greater than or equal to 1 have been recognized for a number of years to form in acidic liquid mixtures of aluminium chloride or bromide with the corresponding halides of alkali or organic cations, in relative proportions which vary with the composition of the mixture. In this work we evaluate the structure and the energetics of such polymeric series in a comparative study of Al and Ga compounds. To this end we first extend an earlier study of the ionic interactions in the Al2Cl6 molecule [Z. Akdeniz and M. P Tosi, 2. Naturforsch. 54a, 180 (1999)] to determine microscopic ionic models for Ga2Cl6, Al2Br6, and Ga2Br6. The models are then used (i) to evaluate the polymeric clusters for n less than or equal to 4 in the two trivalent-metal chlorides, and (ii) to explore the potential-energy hypersurface of alkali counterions in the case n = 2. We present tests of the results against available data and an evaluation of the convergence of the energy of the polymeric series towards a value of about 0.5 eV per monomer.en_US
dc.identifier.endpage580en_US
dc.identifier.issn0932-0784
dc.identifier.issue6-7en_US
dc.identifier.scopus2-s2.0-0040199652en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage575en_US
dc.identifier.urihttps://hdl.handle.net/20.500.14551/21973
dc.identifier.volume55en_US
dc.identifier.wosWOS:000088767900003en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherVerlag Z Naturforschen_US
dc.relation.ispartofZeitschrift Fur Naturforschung Section A-A Journal Of Physical Sciencesen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectIonic Clustersen_US
dc.subjectMolecular Vapoursen_US
dc.subjectMolten Saltsen_US
dc.subjectIonic Modelen_US
dc.subjectMoltenen_US
dc.titlePolymeric structures in aluminium and gallium halidesen_US
dc.typeArticleen_US

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