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dc.date.accessioned | 2022-06-23T18:34:45Z | |
dc.date.available | 2022-06-23T18:34:45Z | |
dc.date.issued | 2019 | |
dc.identifier.uri | http://sedici.unlp.edu.ar/handle/10915/138272 | |
dc.description.abstract | The 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. | en |
dc.format.extent | 23893-23899 | es |
dc.language | en | es |
dc.subject | Falloff curves | es |
dc.subject | Unimolecular dissociation | es |
dc.subject | Decomposition mechanism | es |
dc.title | Falloff curves and mechanism of thermal decomposition of CF₃I in shock waves | en |
dc.type | Articulo | es |
sedici.identifier.other | doi:10.1039/c9cp04771a | es |
sedici.identifier.other | pmid:31650154 | es |
sedici.identifier.issn | 1463-9084 | es |
sedici.identifier.issn | 1463-9076 | es |
sedici.creator.person | Cobos, Carlos Jorge | es |
sedici.creator.person | Sölter, L. | es |
sedici.creator.person | Tellbach, E. | es |
sedici.creator.person | Troe, J. | es |
sedici.subject.materias | Física | es |
sedici.subject.materias | Química | es |
sedici.description.fulltext | true | es |
mods.originInfo.place | Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas | es |
sedici.subtype | Articulo | es |
sedici.rights.license | Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) | |
sedici.rights.uri | http://creativecommons.org/licenses/by-nc-sa/4.0/ | |
sedici.description.peerReview | peer-review | es |
sedici.relation.journalTitle | Physical Chemistry Chemical Physics | es |
sedici.relation.journalVolumeAndIssue | vol. 21, no. 43 | es |