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dc.contributor.authorPogrebnaya, Tatiana P.
dc.contributor.authorPogrebnoi, Alexander M.
dc.contributor.authorKudin, Lev S.
dc.date.accessioned2020-03-11T11:31:35Z
dc.date.available2020-03-11T11:31:35Z
dc.date.issued2010-05-16
dc.identifier.urihttps://doi.org/10.1007/s10947-010-0036-9
dc.identifier.urihttp://dspace.nm-aist.ac.tz/handle/123456789/634
dc.descriptionThis research article published by Springer Nature Switzerland AG., 2010en_US
dc.description.abstractNonempirical methods are used to calculate the geometric parameters, the frequencies of normal vibrations, and thermochemical characteristics of ions existing in saturated vapors over sodium bromide and iodide: Na2X+, NaX 2−, Na3X 2+, and Na2X 3− (X = Br, I). According to the calculations, Na2X+ and NaX 2− triatomic ions have a linear equilibrium configuration of D ∞h symmetry. Pentaatomic ions can exist in the form of three isomers: linear with D ∞h symmetry, planar cyclic with C 2v symmetry, and bipyramidal with D 3h symmetry. At a temperature of ∼1000 K, Na3X 2+ and NaX 3− pentaatomic ions are shown to be present in vapor mainly in the form of linear isomers. The energies and enthalpies of ion molecular reactions with the participation of the above ions are calculated, and the formation enthalpies of the ions are determined, Δ f H o(0 K): 293±2 kJ/mol (Na2Br+), 354±2 kJ/mol (Na2I+), −536±2 kJ/mol (NaBr 2−, −458±2 kJ/mol (NaI 2−, 24±5 kJ/mol (Na3Br 2+, 143±5 kJ/mol (Na3I 2+, −810±5 kJ/mol (Na2Br 3−, and −675±5 kJ/mol (Na2I 3−.en_US
dc.language.isoenen_US
dc.publisherNature Switzerland AG.en_US
dc.subjectionic associates in vapors over sodium bromide and iodideen_US
dc.subjectnonempirical calculationen_US
dc.subjectgeometric configurationen_US
dc.subjectgeometric parametersen_US
dc.subjection-molecular reactionsen_US
dc.subjectformation enthalpy of ionsen_US
dc.titleStructural and thermodynamic characteristics of ionic associates in vapors over sodium bromide and iodideen_US
dc.typeArticleen_US


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