Shock Wave Study of the Thermal Dissociations of C3F6 and c-C3F6. II. Dissociation of Hexafluorocyclopropane and Dimerization of CF2

Autores
Cobos, Carlos Jorge; Sölter, L.; Tellbach, E.; Troe, J.
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The thermal dissociation of c-C3F6 has been studied in shock waves over the range 620–1030 K monitoring the UV absorption of CF2. The reaction was studied close to its high-pressure limit, but some high-temperature falloff was accounted for. Quantum-chemical and kinetic modeling rationalized the experimental data. The reaction is suggested to involve the 1,3 biradical CF2CF2CF2 intermediate. CF2 formed by the dissociation of c-C3F6 dimerizes to C2F4. The measured rate of this reaction is also found to correspond to the falloff range. Rate constants for 2CF2 → C2F4 as a function of temperature and bath gas concentration [Ar] are given and shown to be consistent with literature values for the high-pressure rate constants from experiments at lower temperatures and dissociation rate constants obtained in the falloff range at higher temperatures. The onset of falloff at intermediate temperatures is analyzed.
Fil: Cobos, Carlos Jorge. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina. Universidad Nacional de La Plata; Argentina
Fil: Sölter, L.. Universitat of Gottingen; Alemania
Fil: Tellbach, E.. Universitat of Gottingen; Alemania
Fil: Troe, J.. Max-Planck-Institut für Biophysikalische Chemie; Alemania
Materia
Unimolecular Reactions
Dissociations Reaction
Dimerization Reactions
Fluorocarbons
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/5220
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/5220
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Shock Wave Study of the Thermal Dissociations of C3F6 and c-C3F6. II. Dissociation of Hexafluorocyclopropane and Dimerization of CF2Cobos, Carlos JorgeSölter, L.Tellbach, E.Troe, J.Unimolecular ReactionsDissociations ReactionDimerization ReactionsFluorocarbonshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The thermal dissociation of c-C3F6 has been studied in shock waves over the range 620–1030 K monitoring the UV absorption of CF2. The reaction was studied close to its high-pressure limit, but some high-temperature falloff was accounted for. Quantum-chemical and kinetic modeling rationalized the experimental data. The reaction is suggested to involve the 1,3 biradical CF2CF2CF2 intermediate. CF2 formed by the dissociation of c-C3F6 dimerizes to C2F4. The measured rate of this reaction is also found to correspond to the falloff range. Rate constants for 2CF2 → C2F4 as a function of temperature and bath gas concentration [Ar] are given and shown to be consistent with literature values for the high-pressure rate constants from experiments at lower temperatures and dissociation rate constants obtained in the falloff range at higher temperatures. The onset of falloff at intermediate temperatures is analyzed.Fil: Cobos, Carlos Jorge. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina. Universidad Nacional de La Plata; ArgentinaFil: Sölter, L.. Universitat of Gottingen; AlemaniaFil: Tellbach, E.. Universitat of Gottingen; AlemaniaFil: Troe, J.. Max-Planck-Institut für Biophysikalische Chemie; AlemaniaAmerican Chemical Society2014-06info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/5220Cobos, Carlos Jorge; Sölter, L.; Tellbach, E.; Troe, J.; Shock Wave Study of the Thermal Dissociations of C3F6 and c-C3F6. II. Dissociation of Hexafluorocyclopropane and Dimerization of CF2; American Chemical Society; Journal Of Physical Chemistry A; 118; 27; 6-2014; 4873-48791089-5639enginfo:eu-repo/semantics/altIdentifier/doi/info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/jp501577kinfo:eu-repo/semantics/altIdentifier/doi/10.1021/jp501577kinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:36:31Zoai:ri.conicet.gov.ar:11336/5220instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 09:36:32.11CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Shock Wave Study of the Thermal Dissociations of C3F6 and c-C3F6. II. Dissociation of Hexafluorocyclopropane and Dimerization of CF2
title Shock Wave Study of the Thermal Dissociations of C3F6 and c-C3F6. II. Dissociation of Hexafluorocyclopropane and Dimerization of CF2
spellingShingle Shock Wave Study of the Thermal Dissociations of C3F6 and c-C3F6. II. Dissociation of Hexafluorocyclopropane and Dimerization of CF2
Cobos, Carlos Jorge
Unimolecular Reactions
Dissociations Reaction
Dimerization Reactions
Fluorocarbons
title_short Shock Wave Study of the Thermal Dissociations of C3F6 and c-C3F6. II. Dissociation of Hexafluorocyclopropane and Dimerization of CF2
title_full Shock Wave Study of the Thermal Dissociations of C3F6 and c-C3F6. II. Dissociation of Hexafluorocyclopropane and Dimerization of CF2
title_fullStr Shock Wave Study of the Thermal Dissociations of C3F6 and c-C3F6. II. Dissociation of Hexafluorocyclopropane and Dimerization of CF2
title_full_unstemmed Shock Wave Study of the Thermal Dissociations of C3F6 and c-C3F6. II. Dissociation of Hexafluorocyclopropane and Dimerization of CF2
title_sort Shock Wave Study of the Thermal Dissociations of C3F6 and c-C3F6. II. Dissociation of Hexafluorocyclopropane and Dimerization of CF2
dc.creator.none.fl_str_mv Cobos, Carlos Jorge
Sölter, L.
Tellbach, E.
Troe, J.
author Cobos, Carlos Jorge
author_facet Cobos, Carlos Jorge
Sölter, L.
Tellbach, E.
Troe, J.
author_role author
author2 Sölter, L.
Tellbach, E.
Troe, J.
author2_role author
author
author
dc.subject.none.fl_str_mv Unimolecular Reactions
Dissociations Reaction
Dimerization Reactions
Fluorocarbons
topic Unimolecular Reactions
Dissociations Reaction
Dimerization Reactions
Fluorocarbons
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The thermal dissociation of c-C3F6 has been studied in shock waves over the range 620–1030 K monitoring the UV absorption of CF2. The reaction was studied close to its high-pressure limit, but some high-temperature falloff was accounted for. Quantum-chemical and kinetic modeling rationalized the experimental data. The reaction is suggested to involve the 1,3 biradical CF2CF2CF2 intermediate. CF2 formed by the dissociation of c-C3F6 dimerizes to C2F4. The measured rate of this reaction is also found to correspond to the falloff range. Rate constants for 2CF2 → C2F4 as a function of temperature and bath gas concentration [Ar] are given and shown to be consistent with literature values for the high-pressure rate constants from experiments at lower temperatures and dissociation rate constants obtained in the falloff range at higher temperatures. The onset of falloff at intermediate temperatures is analyzed.
Fil: Cobos, Carlos Jorge. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina. Universidad Nacional de La Plata; Argentina
Fil: Sölter, L.. Universitat of Gottingen; Alemania
Fil: Tellbach, E.. Universitat of Gottingen; Alemania
Fil: Troe, J.. Max-Planck-Institut für Biophysikalische Chemie; Alemania
description The thermal dissociation of c-C3F6 has been studied in shock waves over the range 620–1030 K monitoring the UV absorption of CF2. The reaction was studied close to its high-pressure limit, but some high-temperature falloff was accounted for. Quantum-chemical and kinetic modeling rationalized the experimental data. The reaction is suggested to involve the 1,3 biradical CF2CF2CF2 intermediate. CF2 formed by the dissociation of c-C3F6 dimerizes to C2F4. The measured rate of this reaction is also found to correspond to the falloff range. Rate constants for 2CF2 → C2F4 as a function of temperature and bath gas concentration [Ar] are given and shown to be consistent with literature values for the high-pressure rate constants from experiments at lower temperatures and dissociation rate constants obtained in the falloff range at higher temperatures. The onset of falloff at intermediate temperatures is analyzed.
publishDate 2014
dc.date.none.fl_str_mv 2014-06
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/5220
Cobos, Carlos Jorge; Sölter, L.; Tellbach, E.; Troe, J.; Shock Wave Study of the Thermal Dissociations of C3F6 and c-C3F6. II. Dissociation of Hexafluorocyclopropane and Dimerization of CF2; American Chemical Society; Journal Of Physical Chemistry A; 118; 27; 6-2014; 4873-4879
1089-5639
url http://hdl.handle.net/11336/5220
identifier_str_mv Cobos, Carlos Jorge; Sölter, L.; Tellbach, E.; Troe, J.; Shock Wave Study of the Thermal Dissociations of C3F6 and c-C3F6. II. Dissociation of Hexafluorocyclopropane and Dimerization of CF2; American Chemical Society; Journal Of Physical Chemistry A; 118; 27; 6-2014; 4873-4879
1089-5639
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/
info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/jp501577k
info:eu-repo/semantics/altIdentifier/doi/10.1021/jp501577k
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1844613146391609344
score 13.070432

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