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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/73939
Ver los metadatos del registro completo
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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 Técnicas2025-09-29T09:35:49Zoai: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:34982025-09-29 09:35:49.289CONICET 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 |
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reponame:CONICET Digital (CONICET) instname:Consejo Nacional de Investigaciones Científicas y Técnicas |
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CONICET Digital (CONICET) |
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Consejo Nacional de Investigaciones Científicas y Técnicas |
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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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13.070432 |