Show simple item record

dc.contributor.authorPogrebnaya, Tatiana P.
dc.contributor.authorHishamunda, Jean B.
dc.contributor.authorGirabawe, Camille
dc.contributor.authorPogrebnoi, Alexander M.
dc.date.accessioned2020-03-11T10:39:18Z
dc.date.available2020-03-11T10:39:18Z
dc.date.issued2011-10-04
dc.identifier.urihttps://doi.org/10.1007/978-90-481-8650-1_21
dc.identifier.urihttp://dspace.nm-aist.ac.tz/handle/123456789/632
dc.descriptionThis research article published by Springer Nature Switzerland AG., 2011en_US
dc.description.abstractThe geometrical structure, the frequencies of normal vibrations, and the thermodynamic characteristics of tri- and pentaatomic cluster ions M2Cl+, MCl 2 − , M3Cl 2 + , and M2Cl 3 − (M = K, Rb, or Cs) existing in saturated vapors over potassium, rubidium, and cesium chlorides have been calculated by nonempirical methods. According to the calculations, the triatomic ions have a linear equilibrium configuration of D ∞h symmetry. For the pentaatomic ions M3Cl 2 + and M2Cl 3 − , three isomeric forms were considered. The most abundant isomer in saturated vapor was found to be the linear one (D ∞h) for K3Cl 2 + , Rb3Cl 2 + , K2Cl 3 − , Rb2Cl 3 − and Cs2Cl 3 − , and the angular V-shaped (C 2v) for Cs3Cl 2 + . The concentration of the other two isomers, cyclic and bipyramidal, is negligible. The energies and enthalpies of dissociation of the ions have been found. The enthalpies of formation of the ions, Δf H°(0 K) in kJ/mol, were obtained: 116 ± 3 (K2Cl+), −623 ± 3 (KCl 2 − ), −228 ± 7 (K3Cl 2 + ), −971 ± 6 (K2Cl 3 − ), 91 ± 3 (Rb2Cl+), −620 ± 3 (RbCl 2 − ), −256 ± 5 (Rb3Cl 2 + ), −967 ± 4 (Rb2Cl 3 − ), 51 ± 4 (Cs2Cl+), −622 ± 3 (CsCl 2 − ), −301 ± 8 (Cs3Cl 2 + ), −975 ± 6 (Cs2Cl 3 − ).en_US
dc.language.isoenen_US
dc.publisherSpringer Nature Switzerland AG.en_US
dc.subjectIsomerization Reactionen_US
dc.subjectCesium Chlorideen_US
dc.subjectAlkali Metal Halideen_US
dc.subjectAlkali Metal Chlorideen_US
dc.subjectMass Spectrometric Investigationen_US
dc.titleTheoretical Study of Structure, Vibration Spectra and Thermodynamic Properties of Cluster Ions in Vapors over Potassium, Rubidium and Cesium Chloridesen_US
dc.typeArticleen_US


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record