Shock Wave Study of the Thermal Decomposition of CF 3 and CF 2 Radicals

Autores
Cobos, Carlos Jorge; Croce, Adela Ester; Luther, K.; Troe, J.
Año de publicación
2010
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The thermal dissociation reactions CF3 + M = CF2 + F + M (reaction 1) and CF2 + M = CF + F + M (reaction 3) were studied behind shock waves. CF2 radicals were monitored through their UV absorption. By working at very low reactant concentrations, the rate coefficients of the unimolecular processes could be derived. Reaction 1 was investigated between 1600 and 2300 K in the intermediate range of the falloff curves, at 10 times larger bath gas pressures than employed in earlier work (Srinivasan, N. K.; Su, M.-C.; Michael, J. V.; Jasper, A. W.; Klippenstein, S. J.; Harding, L. B. J. Phys. Chem. A 2008, 112, 31). The combination of the two sets of data, together with theoretical modeling, allows one to construct falloff curves and to provide complete representations of the temperature and pressure dependences of the rate coefficients. Reaction 3 was studied in the limiting low-pressure range and, over the range 2900−3800 K, a rate coefficient k3 = [Ar] 1.6 * 10(15)exp(−48040 K/T) cm3 molecule−1 s−1 was obtained. Representations of the rate coefficients over the full falloff curves were again derived by theoretical modeling.
Fil: Cobos, Carlos Jorge. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
Fil: Croce, Adela Ester. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
Fil: Luther, K.. Universität Göttingen; Alemania
Fil: Troe, J.. Universität Göttingen; Alemania
Materia
CF3 + M f CF2 + F + M
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:11336/277646
Acceder
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network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling Shock Wave Study of the Thermal Decomposition of CF 3 and CF 2 RadicalsCobos, Carlos JorgeCroce, Adela EsterLuther, K.Troe, J.CF3 + M f CF2 + F + Mhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The thermal dissociation reactions CF3 + M = CF2 + F + M (reaction 1) and CF2 + M = CF + F + M (reaction 3) were studied behind shock waves. CF2 radicals were monitored through their UV absorption. By working at very low reactant concentrations, the rate coefficients of the unimolecular processes could be derived. Reaction 1 was investigated between 1600 and 2300 K in the intermediate range of the falloff curves, at 10 times larger bath gas pressures than employed in earlier work (Srinivasan, N. K.; Su, M.-C.; Michael, J. V.; Jasper, A. W.; Klippenstein, S. J.; Harding, L. B. J. Phys. Chem. A 2008, 112, 31). The combination of the two sets of data, together with theoretical modeling, allows one to construct falloff curves and to provide complete representations of the temperature and pressure dependences of the rate coefficients. Reaction 3 was studied in the limiting low-pressure range and, over the range 2900−3800 K, a rate coefficient k3 = [Ar] 1.6 * 10(15)exp(−48040 K/T) cm3 molecule−1 s−1 was obtained. Representations of the rate coefficients over the full falloff curves were again derived by theoretical modeling.Fil: Cobos, Carlos Jorge. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; ArgentinaFil: Croce, Adela Ester. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; ArgentinaFil: Luther, K.. Universität Göttingen; AlemaniaFil: Troe, J.. Universität Göttingen; AlemaniaAmerican Chemical Society2010-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/277646Cobos, Carlos Jorge; Croce, Adela Ester; Luther, K.; Troe, J.; Shock Wave Study of the Thermal Decomposition of CF 3 and CF 2 Radicals; American Chemical Society; Journal of Physical Chemistry A; 114; 14; 4-2010; 4755-47611089-5639CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/jp9091877info:eu-repo/semantics/altIdentifier/doi/10.1021/jp9091877info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-12-23T14:30:28Zoai:ri.conicet.gov.ar:11336/277646instacron: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:34982025-12-23 14:30:28.298CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Shock Wave Study of the Thermal Decomposition of CF 3 and CF 2 Radicals
title Shock Wave Study of the Thermal Decomposition of CF 3 and CF 2 Radicals
spellingShingle Shock Wave Study of the Thermal Decomposition of CF 3 and CF 2 Radicals
Cobos, Carlos Jorge
CF3 + M f CF2 + F + M
title_short Shock Wave Study of the Thermal Decomposition of CF 3 and CF 2 Radicals
title_full Shock Wave Study of the Thermal Decomposition of CF 3 and CF 2 Radicals
title_fullStr Shock Wave Study of the Thermal Decomposition of CF 3 and CF 2 Radicals
title_full_unstemmed Shock Wave Study of the Thermal Decomposition of CF 3 and CF 2 Radicals
title_sort Shock Wave Study of the Thermal Decomposition of CF 3 and CF 2 Radicals
dc.creator.none.fl_str_mv Cobos, Carlos Jorge
Croce, Adela Ester
Luther, K.
Troe, J.
author Cobos, Carlos Jorge
author_facet Cobos, Carlos Jorge
Croce, Adela Ester
Luther, K.
Troe, J.
author_role author
author2 Croce, Adela Ester
Luther, K.
Troe, J.
author2_role author
author
author
dc.subject.none.fl_str_mv CF3 + M f CF2 + F + M
topic CF3 + M f CF2 + F + M
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 reactions CF3 + M = CF2 + F + M (reaction 1) and CF2 + M = CF + F + M (reaction 3) were studied behind shock waves. CF2 radicals were monitored through their UV absorption. By working at very low reactant concentrations, the rate coefficients of the unimolecular processes could be derived. Reaction 1 was investigated between 1600 and 2300 K in the intermediate range of the falloff curves, at 10 times larger bath gas pressures than employed in earlier work (Srinivasan, N. K.; Su, M.-C.; Michael, J. V.; Jasper, A. W.; Klippenstein, S. J.; Harding, L. B. J. Phys. Chem. A 2008, 112, 31). The combination of the two sets of data, together with theoretical modeling, allows one to construct falloff curves and to provide complete representations of the temperature and pressure dependences of the rate coefficients. Reaction 3 was studied in the limiting low-pressure range and, over the range 2900−3800 K, a rate coefficient k3 = [Ar] 1.6 * 10(15)exp(−48040 K/T) cm3 molecule−1 s−1 was obtained. Representations of the rate coefficients over the full falloff curves were again derived by theoretical modeling.
Fil: Cobos, Carlos Jorge. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
Fil: Croce, Adela Ester. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
Fil: Luther, K.. Universität Göttingen; Alemania
Fil: Troe, J.. Universität Göttingen; Alemania
description The thermal dissociation reactions CF3 + M = CF2 + F + M (reaction 1) and CF2 + M = CF + F + M (reaction 3) were studied behind shock waves. CF2 radicals were monitored through their UV absorption. By working at very low reactant concentrations, the rate coefficients of the unimolecular processes could be derived. Reaction 1 was investigated between 1600 and 2300 K in the intermediate range of the falloff curves, at 10 times larger bath gas pressures than employed in earlier work (Srinivasan, N. K.; Su, M.-C.; Michael, J. V.; Jasper, A. W.; Klippenstein, S. J.; Harding, L. B. J. Phys. Chem. A 2008, 112, 31). The combination of the two sets of data, together with theoretical modeling, allows one to construct falloff curves and to provide complete representations of the temperature and pressure dependences of the rate coefficients. Reaction 3 was studied in the limiting low-pressure range and, over the range 2900−3800 K, a rate coefficient k3 = [Ar] 1.6 * 10(15)exp(−48040 K/T) cm3 molecule−1 s−1 was obtained. Representations of the rate coefficients over the full falloff curves were again derived by theoretical modeling.
publishDate 2010
dc.date.none.fl_str_mv 2010-04
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/11336/277646
Cobos, Carlos Jorge; Croce, Adela Ester; Luther, K.; Troe, J.; Shock Wave Study of the Thermal Decomposition of CF 3 and CF 2 Radicals; American Chemical Society; Journal of Physical Chemistry A; 114; 14; 4-2010; 4755-4761
1089-5639
CONICET Digital
CONICET
url http://hdl.handle.net/11336/277646
identifier_str_mv Cobos, Carlos Jorge; Croce, Adela Ester; Luther, K.; Troe, J.; Shock Wave Study of the Thermal Decomposition of CF 3 and CF 2 Radicals; American Chemical Society; Journal of Physical Chemistry A; 114; 14; 4-2010; 4755-4761
1089-5639
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/jp9091877
info:eu-repo/semantics/altIdentifier/doi/10.1021/jp9091877
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
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
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score 12.952241

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