Experimental and theoretical study of the reactions of O(3P) with 3-chloropropene and 2-chloropropene between 298 and 359 K

Autores
Olleta, Adriana C.; Cometto, Pablo Marcelo; Taccone, Raul Alberto; Dalmasso, Pablo Roberto; Lane, Silvia Irene
Año de publicación
2009
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The temperature dependences of the rate coefficients of the gas-phase reactions of O(3P) atoms with CH2{double bond, long}CHCH2Cl and CH2{double bond, long}CClCH3 were studied in the range 298-359 K, using the discharge flow-chemiluminescence technique. The Arrhenius expressions obtained (in units of cm3 molecule-1 s-1) were: k1 = (1.96 ± 0.33) × 10-10exp[(-1476 ± 56)/T] and k2 = (9.11 ± 0.17) × 10-11exp[(-1007 ± 61)/T] with Ea in J mol-1. Theoretical calculations at different levels of theory were carried out. Both, theoretical and experimental results, support the conclusion that addition of O(3P) to the less substituted carbon atom of the double bond of the studied chloropropenes, is the main pathway of the reactions.
Fil: Olleta, Adriana C.. Universidad Nacional de Jujuy. Facultad de Ingeniería; Argentina
Fil: Cometto, Pablo Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Taccone, Raul Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Dalmasso, Pablo Roberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Lane, Silvia Irene. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Materia
Ground-State Oxygen Atoms
Chloropropenes
Arrhenius Rate Coefficients
Experimental Results And Theoretical Calculations
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/73939
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/73939
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Experimental and theoretical study of the reactions of O(3P) with 3-chloropropene and 2-chloropropene between 298 and 359 KOlleta, Adriana C.Cometto, Pablo MarceloTaccone, Raul AlbertoDalmasso, Pablo RobertoLane, Silvia IreneGround-State Oxygen AtomsChloropropenesArrhenius Rate CoefficientsExperimental Results And Theoretical Calculationshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The temperature dependences of the rate coefficients of the gas-phase reactions of O(3P) atoms with CH2{double bond, long}CHCH2Cl and CH2{double bond, long}CClCH3 were studied in the range 298-359 K, using the discharge flow-chemiluminescence technique. The Arrhenius expressions obtained (in units of cm3 molecule-1 s-1) were: k1 = (1.96 ± 0.33) × 10-10exp[(-1476 ± 56)/T] and k2 = (9.11 ± 0.17) × 10-11exp[(-1007 ± 61)/T] with Ea in J mol-1. Theoretical calculations at different levels of theory were carried out. Both, theoretical and experimental results, support the conclusion that addition of O(3P) to the less substituted carbon atom of the double bond of the studied chloropropenes, is the main pathway of the reactions.Fil: Olleta, Adriana C.. Universidad Nacional de Jujuy. Facultad de Ingeniería; ArgentinaFil: Cometto, Pablo Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Taccone, Raul Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Dalmasso, Pablo Roberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Lane, Silvia Irene. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaElsevier Science2009-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/73939Olleta, Adriana C.; Cometto, Pablo Marcelo; Taccone, Raul Alberto; Dalmasso, Pablo Roberto; Lane, Silvia Irene; Experimental and theoretical study of the reactions of O(3P) with 3-chloropropene and 2-chloropropene between 298 and 359 K; Elsevier Science; Chemical Physics Letters; 483; 1-3; 11-2009; 55-610009-2614CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0009261409013633info:eu-repo/semantics/altIdentifier/doi/10.1016/j.cplett.2009.10.070info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:03:53Zoai:ri.conicet.gov.ar:11336/73939instacron: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:34982025-10-22 11:03:53.645CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Experimental and theoretical study of the reactions of O(3P) with 3-chloropropene and 2-chloropropene between 298 and 359 K
title Experimental and theoretical study of the reactions of O(3P) with 3-chloropropene and 2-chloropropene between 298 and 359 K
spellingShingle Experimental and theoretical study of the reactions of O(3P) with 3-chloropropene and 2-chloropropene between 298 and 359 K
Olleta, Adriana C.
Ground-State Oxygen Atoms
Chloropropenes
Arrhenius Rate Coefficients
Experimental Results And Theoretical Calculations
title_short Experimental and theoretical study of the reactions of O(3P) with 3-chloropropene and 2-chloropropene between 298 and 359 K
title_full Experimental and theoretical study of the reactions of O(3P) with 3-chloropropene and 2-chloropropene between 298 and 359 K
title_fullStr Experimental and theoretical study of the reactions of O(3P) with 3-chloropropene and 2-chloropropene between 298 and 359 K
title_full_unstemmed Experimental and theoretical study of the reactions of O(3P) with 3-chloropropene and 2-chloropropene between 298 and 359 K
title_sort Experimental and theoretical study of the reactions of O(3P) with 3-chloropropene and 2-chloropropene between 298 and 359 K
dc.creator.none.fl_str_mv Olleta, Adriana C.
Cometto, Pablo Marcelo
Taccone, Raul Alberto
Dalmasso, Pablo Roberto
Lane, Silvia Irene
author Olleta, Adriana C.
author_facet Olleta, Adriana C.
Cometto, Pablo Marcelo
Taccone, Raul Alberto
Dalmasso, Pablo Roberto
Lane, Silvia Irene
author_role author
author2 Cometto, Pablo Marcelo
Taccone, Raul Alberto
Dalmasso, Pablo Roberto
Lane, Silvia Irene
author2_role author
author
author
author
dc.subject.none.fl_str_mv Ground-State Oxygen Atoms
Chloropropenes
Arrhenius Rate Coefficients
Experimental Results And Theoretical Calculations
topic Ground-State Oxygen Atoms
Chloropropenes
Arrhenius Rate Coefficients
Experimental Results And Theoretical Calculations
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 temperature dependences of the rate coefficients of the gas-phase reactions of O(3P) atoms with CH2{double bond, long}CHCH2Cl and CH2{double bond, long}CClCH3 were studied in the range 298-359 K, using the discharge flow-chemiluminescence technique. The Arrhenius expressions obtained (in units of cm3 molecule-1 s-1) were: k1 = (1.96 ± 0.33) × 10-10exp[(-1476 ± 56)/T] and k2 = (9.11 ± 0.17) × 10-11exp[(-1007 ± 61)/T] with Ea in J mol-1. Theoretical calculations at different levels of theory were carried out. Both, theoretical and experimental results, support the conclusion that addition of O(3P) to the less substituted carbon atom of the double bond of the studied chloropropenes, is the main pathway of the reactions.
Fil: Olleta, Adriana C.. Universidad Nacional de Jujuy. Facultad de Ingeniería; Argentina
Fil: Cometto, Pablo Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Taccone, Raul Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Dalmasso, Pablo Roberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Lane, Silvia Irene. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
description The temperature dependences of the rate coefficients of the gas-phase reactions of O(3P) atoms with CH2{double bond, long}CHCH2Cl and CH2{double bond, long}CClCH3 were studied in the range 298-359 K, using the discharge flow-chemiluminescence technique. The Arrhenius expressions obtained (in units of cm3 molecule-1 s-1) were: k1 = (1.96 ± 0.33) × 10-10exp[(-1476 ± 56)/T] and k2 = (9.11 ± 0.17) × 10-11exp[(-1007 ± 61)/T] with Ea in J mol-1. Theoretical calculations at different levels of theory were carried out. Both, theoretical and experimental results, support the conclusion that addition of O(3P) to the less substituted carbon atom of the double bond of the studied chloropropenes, is the main pathway of the reactions.
publishDate 2009
dc.date.none.fl_str_mv 2009-11
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/11336/73939
Olleta, Adriana C.; Cometto, Pablo Marcelo; Taccone, Raul Alberto; Dalmasso, Pablo Roberto; Lane, Silvia Irene; Experimental and theoretical study of the reactions of O(3P) with 3-chloropropene and 2-chloropropene between 298 and 359 K; Elsevier Science; Chemical Physics Letters; 483; 1-3; 11-2009; 55-61
0009-2614
CONICET Digital
CONICET
url http://hdl.handle.net/11336/73939
identifier_str_mv Olleta, Adriana C.; Cometto, Pablo Marcelo; Taccone, Raul Alberto; Dalmasso, Pablo Roberto; Lane, Silvia Irene; Experimental and theoretical study of the reactions of O(3P) with 3-chloropropene and 2-chloropropene between 298 and 359 K; Elsevier Science; Chemical Physics Letters; 483; 1-3; 11-2009; 55-61
0009-2614
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://www.sciencedirect.com/science/article/pii/S0009261409013633
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.cplett.2009.10.070
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
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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