Falloff curves and mechanism of thermal decomposition of CF₃I in shock waves

dc.creatorCobos, Carlos Jorge
dc.creatorSölter, L.
dc.creatorTellbach, E.
dc.creatorTroe, J.
dc.date2019
dc.date2022-06-23T18:34:45Z
dc.date.accessioned2023-07-15T05:05:21Z
dc.date.available2023-07-15T05:05:21Z
dc.identifierhttp://sedici.unlp.edu.ar/handle/10915/138272
dc.identifierissn:1463-9084
dc.identifierissn:1463-9076
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/7472043
dc.descriptionThe falloff curves of the unimolecular dissociation CF₃I (+Ar) → CF₃ + I (+Ar) are modelled by combining quantum-chemical characterizations of the potential energy surface for the reaction, standard unimolecular rate theory, and experimental information on the average energy transferred per collision between excited CF₃I and Ar. The (essentially) parameter-free theoretical modelling gives results in satisfactory agreement with data deduced from earlier shock wave experiments employing a variety of reactant concentrations (between a few ppm and a few percent in the bath gas Ar). New experiments recording absorption-time signals of CF₃I, I₂, CF₂ and (possibly) IF at 450-500 and 200-300 nm are reported. By analysing the decomposition mechanism, besides the unimolecular dissociation of CF₃I, these provide insight into the influence of secondary reactions on the experimental observations.
dc.descriptionInstituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas
dc.formatapplication/pdf
dc.format23893-23899
dc.languageen
dc.rightshttp://creativecommons.org/licenses/by-nc-sa/4.0/
dc.rightsCreative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
dc.subjectFísica
dc.subjectQuímica
dc.subjectFalloff curves
dc.subjectUnimolecular dissociation
dc.subjectDecomposition mechanism
dc.titleFalloff curves and mechanism of thermal decomposition of CF₃I in shock waves
dc.typeArticulo
dc.typeArticulo


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