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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/64204
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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 Técnicas2025-09-03T09:50:33Zoai: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:34982025-09-03 09:50:33.773CONICET 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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1842269038512701440 |
score |
13.13397 |