Arrhenius parameters for the OH-initiated degradation of methyl crotonate, methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate over the temperature range of 288-...

Autores: Colomer, Juan Pablo; Blanco, Maria Belen; Peñeñory, Alicia Beatriz; Barnes, Ian; Wisen, Peter; Teruel, Mariano Andres
Año de publicación: 2016
Idioma: inglés
Tipo de recurso: artículo
Estado: versión publicada
Descripción: The relative-rate technique has been employed to obtain rate coefficients for the reactions between the OH radical and four unsaturated esters (methyl crotonate (k1), methyl-3,3-dimethyl acrylate (k2), (E)-ethyl tiglate (k3) and methyl-3-butenoate (k4)) between 288 and 314 K in 760 Torr of synthetic air. The experiments were performed in a multiple-pass environmental chamber with in situ FTIR detection of the esters and reference compounds. The rate coefficients for the reactions displayed a negative dependence with temperature and low pre-exponential factors. The following Arrhenius expressions (in units of cm3 per molecule per s) were obtained: k1 = (3.39 ± 0.78) × 10-12exp[(750 ± 159)/T], k2 = (2.95 ± 0.63) × 10-12exp[(838 ± 182)/T], k3 = (1.49 ± 0.56) × 10-12exp[(522 ± 114)/T] and k4 = (1.90 ± 1.25) × 10-12exp[(834 ± 185)/T]. The kinetic results are in agreement with a mechanism involving mainly OH radical addition to the double with the reversible formation of an OH-adduct. Atmospheric implications are discussed with particular reference to the rate coefficients obtained as a function of the temperature.
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. Bergisch Universität Wuppertal; Alemania
Fil: Wisen, Peter. Bergisch Universität 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: Photochemistry
Unsaturated Esters
Atmospheric Chemistry
Arrhenius Parameters
Nivel de accesibilidad: acceso abierto
Condiciones de uso: https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
Institución: Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador: oai:ri.conicet.gov.ar:11336/54901

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network_acronym_str	CONICETDig
repository_id_str	3498
network_name_str	CONICET Digital (CONICET)
spelling	Arrhenius parameters for the OH-initiated degradation of methyl crotonate, methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate over the temperature range of 288-314 KColomer, Juan PabloBlanco, Maria BelenPeñeñory, Alicia BeatrizBarnes, IanWisen, PeterTeruel, Mariano AndresPhotochemistryUnsaturated EstersAtmospheric ChemistryArrhenius Parametershttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The relative-rate technique has been employed to obtain rate coefficients for the reactions between the OH radical and four unsaturated esters (methyl crotonate (k1), methyl-3,3-dimethyl acrylate (k2), (E)-ethyl tiglate (k3) and methyl-3-butenoate (k4)) between 288 and 314 K in 760 Torr of synthetic air. The experiments were performed in a multiple-pass environmental chamber with in situ FTIR detection of the esters and reference compounds. The rate coefficients for the reactions displayed a negative dependence with temperature and low pre-exponential factors. The following Arrhenius expressions (in units of cm3 per molecule per s) were obtained: k1 = (3.39 ± 0.78) × 10-12exp[(750 ± 159)/T], k2 = (2.95 ± 0.63) × 10-12exp[(838 ± 182)/T], k3 = (1.49 ± 0.56) × 10-12exp[(522 ± 114)/T] and k4 = (1.90 ± 1.25) × 10-12exp[(834 ± 185)/T]. The kinetic results are in agreement with a mechanism involving mainly OH radical addition to the double with the reversible formation of an OH-adduct. Atmospheric implications are discussed with particular reference to the rate coefficients obtained as a function of the temperature.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. Bergisch Universität Wuppertal; AlemaniaFil: Wisen, Peter. Bergisch Universität 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; ArgentinaRoyal Society of Chemistry2016-05-26info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/54901Colomer, Juan Pablo; Blanco, Maria Belen; Peñeñory, Alicia Beatriz; Barnes, Ian; Wisen, Peter; et al.; Arrhenius parameters for the OH-initiated degradation of methyl crotonate, methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate over the temperature range of 288-314 K; Royal Society of Chemistry; RSC Advances; 6; 59; 26-5-2016; 53723-537292046-2069CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/content/articlelanding/2016/ra/c6ra10279d#!divAbstractinfo:eu-repo/semantics/altIdentifier/doi/10.1039/c6ra10279dinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:49:30Zoai:ri.conicet.gov.ar:11336/54901instacron: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:34982025-09-03 09:49:30.816CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv	Arrhenius parameters for the OH-initiated degradation of methyl crotonate, methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate over the temperature range of 288-314 K
title	Arrhenius parameters for the OH-initiated degradation of methyl crotonate, methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate over the temperature range of 288-314 K
spellingShingle	Arrhenius parameters for the OH-initiated degradation of methyl crotonate, methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate over the temperature range of 288-314 K Colomer, Juan Pablo Photochemistry Unsaturated Esters Atmospheric Chemistry Arrhenius Parameters
title_short	Arrhenius parameters for the OH-initiated degradation of methyl crotonate, methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate over the temperature range of 288-314 K
title_full	Arrhenius parameters for the OH-initiated degradation of methyl crotonate, methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate over the temperature range of 288-314 K
title_fullStr	Arrhenius parameters for the OH-initiated degradation of methyl crotonate, methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate over the temperature range of 288-314 K
title_full_unstemmed	Arrhenius parameters for the OH-initiated degradation of methyl crotonate, methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate over the temperature range of 288-314 K
title_sort	Arrhenius parameters for the OH-initiated degradation of methyl crotonate, methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate over the temperature range of 288-314 K
dc.creator.none.fl_str_mv	Colomer, Juan Pablo Blanco, Maria Belen Peñeñory, Alicia Beatriz Barnes, Ian Wisen, Peter Teruel, Mariano Andres
author	Colomer, Juan Pablo
author_facet	Colomer, Juan Pablo Blanco, Maria Belen Peñeñory, Alicia Beatriz Barnes, Ian Wisen, Peter Teruel, Mariano Andres
author_role	author
author2	Blanco, Maria Belen Peñeñory, Alicia Beatriz Barnes, Ian Wisen, Peter Teruel, Mariano Andres
author2_role	author author author author author
dc.subject.none.fl_str_mv	Photochemistry Unsaturated Esters Atmospheric Chemistry Arrhenius Parameters
topic	Photochemistry Unsaturated Esters Atmospheric Chemistry Arrhenius Parameters
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 relative-rate technique has been employed to obtain rate coefficients for the reactions between the OH radical and four unsaturated esters (methyl crotonate (k1), methyl-3,3-dimethyl acrylate (k2), (E)-ethyl tiglate (k3) and methyl-3-butenoate (k4)) between 288 and 314 K in 760 Torr of synthetic air. The experiments were performed in a multiple-pass environmental chamber with in situ FTIR detection of the esters and reference compounds. The rate coefficients for the reactions displayed a negative dependence with temperature and low pre-exponential factors. The following Arrhenius expressions (in units of cm3 per molecule per s) were obtained: k1 = (3.39 ± 0.78) × 10-12exp[(750 ± 159)/T], k2 = (2.95 ± 0.63) × 10-12exp[(838 ± 182)/T], k3 = (1.49 ± 0.56) × 10-12exp[(522 ± 114)/T] and k4 = (1.90 ± 1.25) × 10-12exp[(834 ± 185)/T]. The kinetic results are in agreement with a mechanism involving mainly OH radical addition to the double with the reversible formation of an OH-adduct. Atmospheric implications are discussed with particular reference to the rate coefficients obtained as a function of the temperature. 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. Bergisch Universität Wuppertal; Alemania Fil: Wisen, Peter. Bergisch Universität 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 employed to obtain rate coefficients for the reactions between the OH radical and four unsaturated esters (methyl crotonate (k1), methyl-3,3-dimethyl acrylate (k2), (E)-ethyl tiglate (k3) and methyl-3-butenoate (k4)) between 288 and 314 K in 760 Torr of synthetic air. The experiments were performed in a multiple-pass environmental chamber with in situ FTIR detection of the esters and reference compounds. The rate coefficients for the reactions displayed a negative dependence with temperature and low pre-exponential factors. The following Arrhenius expressions (in units of cm3 per molecule per s) were obtained: k1 = (3.39 ± 0.78) × 10-12exp[(750 ± 159)/T], k2 = (2.95 ± 0.63) × 10-12exp[(838 ± 182)/T], k3 = (1.49 ± 0.56) × 10-12exp[(522 ± 114)/T] and k4 = (1.90 ± 1.25) × 10-12exp[(834 ± 185)/T]. The kinetic results are in agreement with a mechanism involving mainly OH radical addition to the double with the reversible formation of an OH-adduct. Atmospheric implications are discussed with particular reference to the rate coefficients obtained as a function of the temperature.
publishDate	2016
dc.date.none.fl_str_mv	2016-05-26
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/11336/54901 Colomer, Juan Pablo; Blanco, Maria Belen; Peñeñory, Alicia Beatriz; Barnes, Ian; Wisen, Peter; et al.; Arrhenius parameters for the OH-initiated degradation of methyl crotonate, methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate over the temperature range of 288-314 K; Royal Society of Chemistry; RSC Advances; 6; 59; 26-5-2016; 53723-53729 2046-2069 CONICET Digital CONICET
url	http://hdl.handle.net/11336/54901
identifier_str_mv	Colomer, Juan Pablo; Blanco, Maria Belen; Peñeñory, Alicia Beatriz; Barnes, Ian; Wisen, Peter; et al.; Arrhenius parameters for the OH-initiated degradation of methyl crotonate, methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate over the temperature range of 288-314 K; Royal Society of Chemistry; RSC Advances; 6; 59; 26-5-2016; 53723-53729 2046-2069 CONICET Digital CONICET
dc.language.none.fl_str_mv	eng
language	eng
dc.relation.none.fl_str_mv	info:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/content/articlelanding/2016/ra/c6ra10279d#!divAbstract info:eu-repo/semantics/altIdentifier/doi/10.1039/c6ra10279d
dc.rights.none.fl_str_mv	info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv	openAccess
rights_invalid_str_mv	https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv	application/pdf application/pdf application/pdf application/pdf application/pdf
dc.publisher.none.fl_str_mv	Royal Society of Chemistry
publisher.none.fl_str_mv	Royal Society of Chemistry
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	13.13397

Arrhenius parameters for the OH-initiated degradation of methyl crotonate, methyl-3,3-dimethyl acrylate, (E)-ethyl tiglate and methyl-3-butenoate over the temperature range of 288-...

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