Kinetics and product identification of the reactions of (E) -2-hexenyl acetate and 4-methyl-3-penten-2-one with OH radicals and Cl atoms at 298 K and atmospheric pressure

Autores
Gaona Colmán, Elizabeth; Blanco, Maria Belen; Teruel, Mariano Andres
Año de publicación
2017
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Rate coefficients for the reactions of hydroxyl radicals and chlorine atoms with two biogenic volatile organic compounds as (E)-2-hexenyl acetate and 4-methyl-3-penten-2-one have been determined at 298 K and atmospheric pressure. The decay of the organics was followed using a chromatograph with a flame ionization detector (GC-FID) and the rate constants were determined using a relative rate method. Rate coefficients are found to be (in cm3 molecule-1 s-1): k1(OH + (E)-2-hexenyl acetate) = (6.88 ± 1.41) x 10-11, k2(Cl + (E)-2-hexenyl acetate) = (3.10 ± 1.13) x 10-10, k3(OH + 4-methyl-3-penten-2-one) = (1.02 ± 0.20) x 10-10 and k4(Cl + 4-methyl-3-penten-2-one) = (2.66 ± 0.90) x 10-10 at 298 K. This is the first kinetic experimental study for these reactions studied under atmospheric pressure. The rate coefficients are compared with previous determinations for other unsaturated and oxygenated compounds and reactivity trends are presented. Products identification studies were performed using solid-phase microextraction (SPME) method employing on-fiber products derivatization with o-(2,3,4,5,6-pentafluorobenzyl) hydroxylamine hydrochloride using gas chromatograph with a mass spectrometer detector (GC-MS) for the reactions studied. In addition, atmospheric lifetimes of the unsaturated compounds studied are estimated and compared with other tropospheric sinks for these compounds.
Fil: Gaona Colmán, Elizabeth. 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: 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
Trans-2-Hexenyl Acetate
4-Methyl-3-Penten-2-One
Oh Radicals
Cl Atoms
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:11336/64204
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/64204
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Kinetics and product identification of the reactions of (E) -2-hexenyl acetate and 4-methyl-3-penten-2-one with OH radicals and Cl atoms at 298 K and atmospheric pressureGaona Colmán, ElizabethBlanco, Maria BelenTeruel, Mariano AndresTrans-2-Hexenyl Acetate4-Methyl-3-Penten-2-OneOh RadicalsCl Atomshttps://purl.org/becyt/ford/1.5https://purl.org/becyt/ford/1Rate coefficients for the reactions of hydroxyl radicals and chlorine atoms with two biogenic volatile organic compounds as (E)-2-hexenyl acetate and 4-methyl-3-penten-2-one have been determined at 298 K and atmospheric pressure. The decay of the organics was followed using a chromatograph with a flame ionization detector (GC-FID) and the rate constants were determined using a relative rate method. Rate coefficients are found to be (in cm3 molecule-1 s-1): k1(OH + (E)-2-hexenyl acetate) = (6.88 ± 1.41) x 10-11, k2(Cl + (E)-2-hexenyl acetate) = (3.10 ± 1.13) x 10-10, k3(OH + 4-methyl-3-penten-2-one) = (1.02 ± 0.20) x 10-10 and k4(Cl + 4-methyl-3-penten-2-one) = (2.66 ± 0.90) x 10-10 at 298 K. This is the first kinetic experimental study for these reactions studied under atmospheric pressure. The rate coefficients are compared with previous determinations for other unsaturated and oxygenated compounds and reactivity trends are presented. Products identification studies were performed using solid-phase microextraction (SPME) method employing on-fiber products derivatization with o-(2,3,4,5,6-pentafluorobenzyl) hydroxylamine hydrochloride using gas chromatograph with a mass spectrometer detector (GC-MS) for the reactions studied. In addition, atmospheric lifetimes of the unsaturated compounds studied are estimated and compared with other tropospheric sinks for these compounds.Fil: Gaona Colmán, Elizabeth. 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: 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; ArgentinaPergamon-Elsevier Science Ltd2017-07info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/64204Gaona Colmán, Elizabeth; Blanco, Maria Belen; Teruel, Mariano Andres; Kinetics and product identification of the reactions of (E) -2-hexenyl acetate and 4-methyl-3-penten-2-one with OH radicals and Cl atoms at 298 K and atmospheric pressure; Pergamon-Elsevier Science Ltd; Atmospheric Environment; 161; 7-2017; 155-1661352-2310CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://linkinghub.elsevier.com/retrieve/pii/S1352231017302777info:eu-repo/semantics/altIdentifier/doi/10.1016/j.atmosenv.2017.04.033info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:45:34Zoai:ri.conicet.gov.ar:11336/64204instacron: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 09:45:34.877CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Kinetics and product identification of the reactions of (E) -2-hexenyl acetate and 4-methyl-3-penten-2-one with OH radicals and Cl atoms at 298 K and atmospheric pressure
title Kinetics and product identification of the reactions of (E) -2-hexenyl acetate and 4-methyl-3-penten-2-one with OH radicals and Cl atoms at 298 K and atmospheric pressure
spellingShingle Kinetics and product identification of the reactions of (E) -2-hexenyl acetate and 4-methyl-3-penten-2-one with OH radicals and Cl atoms at 298 K and atmospheric pressure
Gaona Colmán, Elizabeth
Trans-2-Hexenyl Acetate
4-Methyl-3-Penten-2-One
Oh Radicals
Cl Atoms
title_short Kinetics and product identification of the reactions of (E) -2-hexenyl acetate and 4-methyl-3-penten-2-one with OH radicals and Cl atoms at 298 K and atmospheric pressure
title_full Kinetics and product identification of the reactions of (E) -2-hexenyl acetate and 4-methyl-3-penten-2-one with OH radicals and Cl atoms at 298 K and atmospheric pressure
title_fullStr Kinetics and product identification of the reactions of (E) -2-hexenyl acetate and 4-methyl-3-penten-2-one with OH radicals and Cl atoms at 298 K and atmospheric pressure
title_full_unstemmed Kinetics and product identification of the reactions of (E) -2-hexenyl acetate and 4-methyl-3-penten-2-one with OH radicals and Cl atoms at 298 K and atmospheric pressure
title_sort Kinetics and product identification of the reactions of (E) -2-hexenyl acetate and 4-methyl-3-penten-2-one with OH radicals and Cl atoms at 298 K and atmospheric pressure
dc.creator.none.fl_str_mv Gaona Colmán, Elizabeth
Blanco, Maria Belen
Teruel, Mariano Andres
author Gaona Colmán, Elizabeth
author_facet Gaona Colmán, Elizabeth
Blanco, Maria Belen
Teruel, Mariano Andres
author_role author
author2 Blanco, Maria Belen
Teruel, Mariano Andres
author2_role author
author
dc.subject.none.fl_str_mv Trans-2-Hexenyl Acetate
4-Methyl-3-Penten-2-One
Oh Radicals
Cl Atoms
topic Trans-2-Hexenyl Acetate
4-Methyl-3-Penten-2-One
Oh Radicals
Cl Atoms
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.5
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Rate coefficients for the reactions of hydroxyl radicals and chlorine atoms with two biogenic volatile organic compounds as (E)-2-hexenyl acetate and 4-methyl-3-penten-2-one have been determined at 298 K and atmospheric pressure. The decay of the organics was followed using a chromatograph with a flame ionization detector (GC-FID) and the rate constants were determined using a relative rate method. Rate coefficients are found to be (in cm3 molecule-1 s-1): k1(OH + (E)-2-hexenyl acetate) = (6.88 ± 1.41) x 10-11, k2(Cl + (E)-2-hexenyl acetate) = (3.10 ± 1.13) x 10-10, k3(OH + 4-methyl-3-penten-2-one) = (1.02 ± 0.20) x 10-10 and k4(Cl + 4-methyl-3-penten-2-one) = (2.66 ± 0.90) x 10-10 at 298 K. This is the first kinetic experimental study for these reactions studied under atmospheric pressure. The rate coefficients are compared with previous determinations for other unsaturated and oxygenated compounds and reactivity trends are presented. Products identification studies were performed using solid-phase microextraction (SPME) method employing on-fiber products derivatization with o-(2,3,4,5,6-pentafluorobenzyl) hydroxylamine hydrochloride using gas chromatograph with a mass spectrometer detector (GC-MS) for the reactions studied. In addition, atmospheric lifetimes of the unsaturated compounds studied are estimated and compared with other tropospheric sinks for these compounds.
Fil: Gaona Colmán, Elizabeth. 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: 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 Rate coefficients for the reactions of hydroxyl radicals and chlorine atoms with two biogenic volatile organic compounds as (E)-2-hexenyl acetate and 4-methyl-3-penten-2-one have been determined at 298 K and atmospheric pressure. The decay of the organics was followed using a chromatograph with a flame ionization detector (GC-FID) and the rate constants were determined using a relative rate method. Rate coefficients are found to be (in cm3 molecule-1 s-1): k1(OH + (E)-2-hexenyl acetate) = (6.88 ± 1.41) x 10-11, k2(Cl + (E)-2-hexenyl acetate) = (3.10 ± 1.13) x 10-10, k3(OH + 4-methyl-3-penten-2-one) = (1.02 ± 0.20) x 10-10 and k4(Cl + 4-methyl-3-penten-2-one) = (2.66 ± 0.90) x 10-10 at 298 K. This is the first kinetic experimental study for these reactions studied under atmospheric pressure. The rate coefficients are compared with previous determinations for other unsaturated and oxygenated compounds and reactivity trends are presented. Products identification studies were performed using solid-phase microextraction (SPME) method employing on-fiber products derivatization with o-(2,3,4,5,6-pentafluorobenzyl) hydroxylamine hydrochloride using gas chromatograph with a mass spectrometer detector (GC-MS) for the reactions studied. In addition, atmospheric lifetimes of the unsaturated compounds studied are estimated and compared with other tropospheric sinks for these compounds.
publishDate 2017
dc.date.none.fl_str_mv 2017-07
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/11336/64204
Gaona Colmán, Elizabeth; Blanco, Maria Belen; Teruel, Mariano Andres; Kinetics and product identification of the reactions of (E) -2-hexenyl acetate and 4-methyl-3-penten-2-one with OH radicals and Cl atoms at 298 K and atmospheric pressure; Pergamon-Elsevier Science Ltd; Atmospheric Environment; 161; 7-2017; 155-166
1352-2310
CONICET Digital
CONICET
url http://hdl.handle.net/11336/64204
identifier_str_mv Gaona Colmán, Elizabeth; Blanco, Maria Belen; Teruel, Mariano Andres; Kinetics and product identification of the reactions of (E) -2-hexenyl acetate and 4-methyl-3-penten-2-one with OH radicals and Cl atoms at 298 K and atmospheric pressure; Pergamon-Elsevier Science Ltd; Atmospheric Environment; 161; 7-2017; 155-166
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/url/http://linkinghub.elsevier.com/retrieve/pii/S1352231017302777
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.atmosenv.2017.04.033
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
dc.publisher.none.fl_str_mv Pergamon-Elsevier Science Ltd
publisher.none.fl_str_mv Pergamon-Elsevier Science Ltd
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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