Structural and thermodynamic characteristics of ionic associates in vapors over sodium bromide and iodide

Simple item page
dc.creatorPogrebnaya, Tatiana P.
dc.creatorPogrebnoi, Alexander M.
dc.creatorKudin, Lev S.
dc.date2020-03-11T11:31:35Z
dc.date2020-03-11T11:31:35Z
dc.date2010-05-16
dc.date.accessioned2022-10-25T09:24:36Z
dc.date.available2022-10-25T09:24:36Z
dc.descriptionThis research article published by Springer Nature Switzerland AG., 2010
dc.descriptionNonempirical 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−.
dc.formatapplication/pdf
dc.identifierhttps://doi.org/10.1007/s10947-010-0036-9
dc.identifierhttp://dspace.nm-aist.ac.tz/handle/123456789/634
dc.identifier.urihttp://hdl.handle.net/123456789/95600
dc.languageen
dc.publisherNature Switzerland AG.
dc.subjectionic associates in vapors over sodium bromide and iodide
dc.subjectnonempirical calculation
dc.subjectgeometric configuration
dc.subjectgeometric parameters
dc.subjection-molecular reactions
dc.subjectformation enthalpy of ions
dc.titleStructural and thermodynamic characteristics of ionic associates in vapors over sodium bromide and iodide
dc.typeArticle

Files

Collections

Research Articles [MEWES]