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dc.contributor.authorAkdeniz, Z
dc.contributor.authorPastore, G
dc.contributor.authorTosi, MP
dc.date.accessioned2021-03-04T08:06:15Z
dc.date.available2021-03-04T08:06:15Z
dc.date.issued1996
dc.identifier.citationAkdeniz Z., Pastore G., Tosi M., "An ionic model for molecular units in molten aluminium trichloride and alkali chloroaluminates", PHYSICS AND CHEMISTRY OF LIQUIDS, cilt.32, sa.4, ss.191-209, 1996
dc.identifier.issn0031-9104
dc.identifier.otherav_61943f41-0645-4b9a-b6d4-c7349501a217
dc.identifier.othervv_1032021
dc.identifier.urihttp://hdl.handle.net/20.500.12627/68004
dc.identifier.urihttps://doi.org/10.1080/00319109608030534
dc.description.abstractA simple ionic model including anion polarizability is developed for the Al2Cl6 molecular dimer and is tested against data on bond lengths, bond angles and vibrational frequencies from experiment and from molecular orbital calculations. The transferability of the model is tested through calculations of structure and vibrational frequencies for the (AlCl4)(-) and (Al2Cl7)(-) molecular ions as well as for related ionic clusters, the results being compared with available data. Further calculations are reported showing that the Al2Cl6 dimer is strongly stable against fluctuations into ionized states, the fluctuations examined being chlorine exchange between neighbouring dimers and the appearance of ionized products al intermediate stages in the dissociation of the dimer into neutral monomers. The relevance of the results to theoretical understanding of molten chloroaluminates in the acidic range up to pure molten AlCl3 is discussed.
dc.language.isoeng
dc.subjectFİZİK, YOĞUN MADDE
dc.subjectKimya
dc.subjectTemel Bilimler (SCI)
dc.subjectKİMYA, FİZİKSEL
dc.subjectFizik
dc.subjectYoğun Madde 1:Yapısal, Mekanik ve Termal Özellikler
dc.subjectFizikokimya
dc.subjectTemel Bilimler
dc.titleAn ionic model for molecular units in molten aluminium trichloride and alkali chloroaluminates
dc.typeMakale
dc.relation.journalPHYSICS AND CHEMISTRY OF LIQUIDS
dc.contributor.department, ,
dc.identifier.volume32
dc.identifier.issue4
dc.identifier.startpage191
dc.identifier.endpage209
dc.contributor.firstauthorID117200


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