Structure and properties of molecular and ionic clusters in vapour over caesium fluoride

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dc.creatorMwanga, Stanley F.
dc.creatorPogrebnaya, Tatiana P.
dc.creatorPogrebnoi, Alexander M.
dc.date2020-03-10T05:46:19Z
dc.date2020-03-10T05:46:19Z
dc.date2015-02-11
dc.date.accessioned2022-10-25T09:24:47Z
dc.date.available2022-10-25T09:24:47Z
dc.descriptionThis research article published by Taylor & Francis Online, 2015
dc.descriptionThe properties of neutral molecules Cs2F2, Cs3F3, and Cs4F4, and positive and negative cluster ions Cs2F+, CsF2−, Cs3F2+, Cs2F3−, Cs4F3+, and Cs5F4+ were studied by several of quantum chemical methods implementing density function theory and Möller–Plesset perturbation theory of second and fourth orders. For all species, the equilibrium geometrical structure and vibrational spectra were determined. Different isomers have been revealed for the trimer neutral molecule Cs3F3; pentaatomic, both positive and negative, Cs3F2+, Cs2F3−; and heptaatomic Cs4F3+ ions. The most abundant isomers in the saturated vapour were determined. Enthalpies of dissociation reactions and enthalpies of formation of the species were obtained.
dc.formatapplication/pdf
dc.identifierhttp://dspace.nm-aist.ac.tz/handle/123456789/619
dc.identifier.urihttp://hdl.handle.net/123456789/95769
dc.languageen
dc.publisherTaylor & Francis Online
dc.subjectCaesium fluoride
dc.subjectCluster ions
dc.subjectQuantum chemical methods
dc.subjectGeometrical structure
dc.subjectVibrational spectra
dc.subjectEnthalpies of formation
dc.titleStructure and properties of molecular and ionic clusters in vapour over caesium fluoride
dc.typeArticle

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