Calculation of the Thermodynamic Characteristics of Ions in Vapor over Sodium Fluoride

Simple item page
dc.creatorPogrebnaya, Tatiana P.
dc.creatorPogrebnoi, Tatiana P.
dc.creatorKudin, Lev S.
dc.date2020-03-11T11:44:16Z
dc.date2020-03-11T11:44:16Z
dc.date2008-01
dc.date.accessioned2022-10-25T09:24:37Z
dc.date.available2022-10-25T09:24:37Z
dc.descriptionThis research article published Springer Nature Switzerland AG.,2008
dc.descriptionThe geometric parameters, normal vibration frequencies, and thermochemical characteristics of the ions present in vapor over sodium fluoride, Na2F+, Na3F 2+, NaF 2−, and Na2F 3−, were calculated ab initio by the Hartree-Fock method and taking into account electron correlation. The main equilibrium configuration of all ions was found to be the linear configuration of D ∞h symmetry. Pentaatomic ions could also exist as two isomers, planar cyclic of C 2v symmetry and bipyramidal of D 3h symmetry. Their energies were higher than that of the D ∞h isomers, and their contents in vapor were negligibly low. The energies and enthalpies of dissociation of the ions with the elimination of the NaF molecule were calculated. The enthalpies of formation of the ions were obtained.
dc.formatapplication/pdf
dc.identifierhttps://doi.org/10.1134/S0036024408010111
dc.identifierhttp://dspace.nm-aist.ac.tz/handle/123456789/635
dc.identifier.urihttp://hdl.handle.net/123456789/95620
dc.languageen
dc.publisherSpringer Nature Switzerland AG.
dc.subjectStretch Vibration Frequency
dc.subjectReduce Gibbs Energy
dc.subjectNormal Vibration Frequency
dc.titleCalculation of the Thermodynamic Characteristics of Ions in Vapor over Sodium Fluoride
dc.typeArticle

Files

Collections

Research Articles [MEWES]