FTIR gas-phase kinetic study on the reactions of OH radicals and Cl atoms with unsaturated esters: Methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate

Autores
Colomer, Juan Pablo; Blanco, Maria Belen; Peñeñory, Alicia Beatriz; Barnes, Ian; Wiesen, Peter; Teruel, Mariano Andres
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The relative-rate technique has been used to obtain rates coefficients for the reactions of the unsaturated esters methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate with OH radicals and chlorine atoms at (298 ± 2) K in synthetic air at a total pressure of (760 ± 10) Torr. The experiments were performed in an environmental chamber using in situ FTIR detection to monitor the decay of the esters relative to different reference compounds. The following room temperature rate coefficients (in units of cm3 molecule−1 s−1) were obtained: k1(OH + (CH3)2CCHC(O)OCH3) = (4.46 ± 1.05) × 10−11, k2(Cl + (CH3)2CCHC(O)OCH3) = (2.78 ± 0.46) × 10−10, k3(OH + CH3CHC(CH3)C(O)OCH2CH3) = (8.32 ± 1.93) × 10−11, k4(Cl + CH3CHC(CH3)C(O)OCH2CH3) = (2.53 ± 0.35) × 10−10, k5(OH + CH2CHCH2C(O)OCH3) = (3.16 ± 0.57) × 10−11, k4(Cl + CH2CHCH2C(O)OCH3) = (2.10 ± 0.35) × 10−10. With the exception of the reaction of Cl with methyl-3,3-dimethyl acrylate (k2), for which one determination exists in the literature, this study is the first kinetic study for these reactions under atmospheric pressure. Reactivity trends are discussed in terms of the effect of the alkyl and ester groups attached to the double bond on the overall rate coefficients towards OH radicals. The atmospheric implications of the reactions were assessed by the estimation of the tropospheric lifetimes of the title reactions.
Fil: Colomer, Juan Pablo. 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: Blanco, Maria Belen. 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: Peñeñory, Alicia Beatriz. 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: Barnes, Ian. Bergishe Universitäet Wuppertal; Alemania
Fil: Wiesen, Peter. Bergishe Universitäet Wuppertal; Alemania
Fil: Teruel, Mariano Andres. 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
Methyl-3,3-Dimethyl Acrylate
(E)-Ethyl Tiglate
Methyl-3-Butenoate
Rate Coefficients
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:11336/25720
Acceder
id CONICETDig_3fe4ad653c2cb7fc785ee884acb17502
oai_identifier_str oai:ri.conicet.gov.ar:11336/25720
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling FTIR gas-phase kinetic study on the reactions of OH radicals and Cl atoms with unsaturated esters: Methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoateColomer, Juan PabloBlanco, Maria BelenPeñeñory, Alicia BeatrizBarnes, IanWiesen, PeterTeruel, Mariano AndresMethyl-3,3-Dimethyl Acrylate(E)-Ethyl TiglateMethyl-3-ButenoateRate Coefficientshttps://purl.org/becyt/ford/1.5https://purl.org/becyt/ford/1The relative-rate technique has been used to obtain rates coefficients for the reactions of the unsaturated esters methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate with OH radicals and chlorine atoms at (298 ± 2) K in synthetic air at a total pressure of (760 ± 10) Torr. The experiments were performed in an environmental chamber using in situ FTIR detection to monitor the decay of the esters relative to different reference compounds. The following room temperature rate coefficients (in units of cm3 molecule−1 s−1) were obtained: k1(OH + (CH3)2CCHC(O)OCH3) = (4.46 ± 1.05) × 10−11, k2(Cl + (CH3)2CCHC(O)OCH3) = (2.78 ± 0.46) × 10−10, k3(OH + CH3CHC(CH3)C(O)OCH2CH3) = (8.32 ± 1.93) × 10−11, k4(Cl + CH3CHC(CH3)C(O)OCH2CH3) = (2.53 ± 0.35) × 10−10, k5(OH + CH2CHCH2C(O)OCH3) = (3.16 ± 0.57) × 10−11, k4(Cl + CH2CHCH2C(O)OCH3) = (2.10 ± 0.35) × 10−10. With the exception of the reaction of Cl with methyl-3,3-dimethyl acrylate (k2), for which one determination exists in the literature, this study is the first kinetic study for these reactions under atmospheric pressure. Reactivity trends are discussed in terms of the effect of the alkyl and ester groups attached to the double bond on the overall rate coefficients towards OH radicals. The atmospheric implications of the reactions were assessed by the estimation of the tropospheric lifetimes of the title reactions.Fil: Colomer, Juan Pablo. 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: Blanco, Maria Belen. 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: Peñeñory, Alicia Beatriz. 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: Barnes, Ian. Bergishe Universitäet Wuppertal; AlemaniaFil: Wiesen, Peter. Bergishe Universitäet Wuppertal; AlemaniaFil: Teruel, Mariano Andres. 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; ArgentinaElsevier2013-07info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/25720Colomer, Juan Pablo; Blanco, Maria Belen; Peñeñory, Alicia Beatriz; Barnes, Ian; Wiesen, Peter; et al.; FTIR gas-phase kinetic study on the reactions of OH radicals and Cl atoms with unsaturated esters: Methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate; Elsevier; Atmospheric Environment; 79; 7-2013; 546-5521352-2310CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.atmosenv.2013.07.009info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S135223101300530Xinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:34:34Zoai:ri.conicet.gov.ar:11336/25720instacron: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 09:34:34.365CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv FTIR gas-phase kinetic study on the reactions of OH radicals and Cl atoms with unsaturated esters: Methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate
title FTIR gas-phase kinetic study on the reactions of OH radicals and Cl atoms with unsaturated esters: Methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate
spellingShingle FTIR gas-phase kinetic study on the reactions of OH radicals and Cl atoms with unsaturated esters: Methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate
Colomer, Juan Pablo
Methyl-3,3-Dimethyl Acrylate
(E)-Ethyl Tiglate
Methyl-3-Butenoate
Rate Coefficients
title_short FTIR gas-phase kinetic study on the reactions of OH radicals and Cl atoms with unsaturated esters: Methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate
title_full FTIR gas-phase kinetic study on the reactions of OH radicals and Cl atoms with unsaturated esters: Methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate
title_fullStr FTIR gas-phase kinetic study on the reactions of OH radicals and Cl atoms with unsaturated esters: Methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate
title_full_unstemmed FTIR gas-phase kinetic study on the reactions of OH radicals and Cl atoms with unsaturated esters: Methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate
title_sort FTIR gas-phase kinetic study on the reactions of OH radicals and Cl atoms with unsaturated esters: Methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate
dc.creator.none.fl_str_mv Colomer, Juan Pablo
Blanco, Maria Belen
Peñeñory, Alicia Beatriz
Barnes, Ian
Wiesen, Peter
Teruel, Mariano Andres
author Colomer, Juan Pablo
author_facet Colomer, Juan Pablo
Blanco, Maria Belen
Peñeñory, Alicia Beatriz
Barnes, Ian
Wiesen, Peter
Teruel, Mariano Andres
author_role author
author2 Blanco, Maria Belen
Peñeñory, Alicia Beatriz
Barnes, Ian
Wiesen, Peter
Teruel, Mariano Andres
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv Methyl-3,3-Dimethyl Acrylate
(E)-Ethyl Tiglate
Methyl-3-Butenoate
Rate Coefficients
topic Methyl-3,3-Dimethyl Acrylate
(E)-Ethyl Tiglate
Methyl-3-Butenoate
Rate Coefficients
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.5
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The relative-rate technique has been used to obtain rates coefficients for the reactions of the unsaturated esters methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate with OH radicals and chlorine atoms at (298 ± 2) K in synthetic air at a total pressure of (760 ± 10) Torr. The experiments were performed in an environmental chamber using in situ FTIR detection to monitor the decay of the esters relative to different reference compounds. The following room temperature rate coefficients (in units of cm3 molecule−1 s−1) were obtained: k1(OH + (CH3)2CCHC(O)OCH3) = (4.46 ± 1.05) × 10−11, k2(Cl + (CH3)2CCHC(O)OCH3) = (2.78 ± 0.46) × 10−10, k3(OH + CH3CHC(CH3)C(O)OCH2CH3) = (8.32 ± 1.93) × 10−11, k4(Cl + CH3CHC(CH3)C(O)OCH2CH3) = (2.53 ± 0.35) × 10−10, k5(OH + CH2CHCH2C(O)OCH3) = (3.16 ± 0.57) × 10−11, k4(Cl + CH2CHCH2C(O)OCH3) = (2.10 ± 0.35) × 10−10. With the exception of the reaction of Cl with methyl-3,3-dimethyl acrylate (k2), for which one determination exists in the literature, this study is the first kinetic study for these reactions under atmospheric pressure. Reactivity trends are discussed in terms of the effect of the alkyl and ester groups attached to the double bond on the overall rate coefficients towards OH radicals. The atmospheric implications of the reactions were assessed by the estimation of the tropospheric lifetimes of the title reactions.
Fil: Colomer, Juan Pablo. 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: Blanco, Maria Belen. 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: Peñeñory, Alicia Beatriz. 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: Barnes, Ian. Bergishe Universitäet Wuppertal; Alemania
Fil: Wiesen, Peter. Bergishe Universitäet Wuppertal; Alemania
Fil: Teruel, Mariano Andres. 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 relative-rate technique has been used to obtain rates coefficients for the reactions of the unsaturated esters methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate with OH radicals and chlorine atoms at (298 ± 2) K in synthetic air at a total pressure of (760 ± 10) Torr. The experiments were performed in an environmental chamber using in situ FTIR detection to monitor the decay of the esters relative to different reference compounds. The following room temperature rate coefficients (in units of cm3 molecule−1 s−1) were obtained: k1(OH + (CH3)2CCHC(O)OCH3) = (4.46 ± 1.05) × 10−11, k2(Cl + (CH3)2CCHC(O)OCH3) = (2.78 ± 0.46) × 10−10, k3(OH + CH3CHC(CH3)C(O)OCH2CH3) = (8.32 ± 1.93) × 10−11, k4(Cl + CH3CHC(CH3)C(O)OCH2CH3) = (2.53 ± 0.35) × 10−10, k5(OH + CH2CHCH2C(O)OCH3) = (3.16 ± 0.57) × 10−11, k4(Cl + CH2CHCH2C(O)OCH3) = (2.10 ± 0.35) × 10−10. With the exception of the reaction of Cl with methyl-3,3-dimethyl acrylate (k2), for which one determination exists in the literature, this study is the first kinetic study for these reactions under atmospheric pressure. Reactivity trends are discussed in terms of the effect of the alkyl and ester groups attached to the double bond on the overall rate coefficients towards OH radicals. The atmospheric implications of the reactions were assessed by the estimation of the tropospheric lifetimes of the title reactions.
publishDate 2013
dc.date.none.fl_str_mv 2013-07
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/11336/25720
Colomer, Juan Pablo; Blanco, Maria Belen; Peñeñory, Alicia Beatriz; Barnes, Ian; Wiesen, Peter; et al.; FTIR gas-phase kinetic study on the reactions of OH radicals and Cl atoms with unsaturated esters: Methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate; Elsevier; Atmospheric Environment; 79; 7-2013; 546-552
1352-2310
CONICET Digital
CONICET
url http://hdl.handle.net/11336/25720
identifier_str_mv Colomer, Juan Pablo; Blanco, Maria Belen; Peñeñory, Alicia Beatriz; Barnes, Ian; Wiesen, Peter; et al.; FTIR gas-phase kinetic study on the reactions of OH radicals and Cl atoms with unsaturated esters: Methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate; Elsevier; Atmospheric Environment; 79; 7-2013; 546-552
1352-2310
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.atmosenv.2013.07.009
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S135223101300530X
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
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
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 13.070432

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