xmlui.dri2xhtml.structural.head-subtitle

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

Show simple item record

dc.contributor.author Pogrebnaya, Tatiana P.
dc.contributor.author Pogrebnoi, Alexander M.
dc.contributor.author Kudin, Lev S.
dc.date.accessioned 2020-03-11T11:31:35Z
dc.date.available 2020-03-11T11:31:35Z
dc.date.issued 2010-05-16
dc.identifier.uri https://doi.org/10.1007/s10947-010-0036-9
dc.identifier.uri http://dspace.nm-aist.ac.tz/handle/123456789/634
dc.description This research article published by Springer Nature Switzerland AG., 2010 en_US
dc.description.abstract Nonempirical 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.iso en en_US
dc.publisher Nature Switzerland AG. en_US
dc.subject ionic associates in vapors over sodium bromide and iodide en_US
dc.subject nonempirical calculation en_US
dc.subject geometric configuration en_US
dc.subject geometric parameters en_US
dc.subject ion-molecular reactions en_US
dc.subject formation enthalpy of ions en_US
dc.title Structural and thermodynamic characteristics of ionic associates in vapors over sodium bromide and iodide en_US
dc.type Article en_US


Files in this item

This item appears in the following Collection(s)

Show simple item record

Search Our NM-AIST IR


Browse NM-AIST IR

My NM-AIST IR Account

Statistics