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

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 exp...

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Authors: Cobos, Carlos Jorge, Sölter, L., Tellbach, E., Troe, J.
Format: article
Status:Published version
Publication Date:2014
Country:Argentina
Institution:Consejo Nacional de Investigaciones Científicas y Técnicas
Repository:CONICET Digital (CONICET)
Language:English
OAI Identifier:oai:ri.conicet.gov.ar:11336/5220
Online Access:http://hdl.handle.net/11336/5220
Access Level:Open access
Keyword:Unimolecular Reactions
Dissociations Reaction
Dimerization Reactions
Fluorocarbons
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
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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 Técnicas2024-05-08T13:35:30Zoai: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:34982024-05-08 13:35:30.397CONICET 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
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
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
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
topic Unimolecular Reactions
Dissociations Reaction
Dimerization Reactions
Fluorocarbons
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
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
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
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
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score 15,228081

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