Atmospheric sink of (E)-3-hexen-1-ol, (Z)-3-hepten-1-ol and (Z)-3-octen-1-ol: Rate coefficients and mechanisms of the OH-radical initiated degradation
- Autores
- Gibilisco, Rodrigo Gastón; Blanco, Maria Belen; Bejan, Iustinian; Barnes, Ian; Wiesen, Peter; Teruel, Mariano Andres
- Año de publicación
- 2015
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- A kinetic study of the gas-phase reactions of OH radicals with three unsaturated biogenic alcohols, (E)-3-hexen-1-ol, (Z)-3-hepten-1-ol, and (Z)-3-octen-1-ol, has been performed. The rate coefficients obtained are (in units of 10–10 cm3 molecule–1 s–1) k1 (OH + (E)-CH2(OH)CH2CH═CHCH2CH3) = (1.14 ± 0.14), k2 (OH + (Z)-CH2(OH)CH2CH═CHCH2CH2CH3) = (1.28 ± 0.23), and k3 (OH + (Z)-CH2(OH)CH2CH═CHCH2CH2CH2CH3) = (1.49 ± 0.35). In addition, a product study on the reactions of OH with (E)-3-hexen-1-ol and (Z)-3-hepten-1-ol is reported. All the experiments were performed at (298 ± 2) K and 1 atm of NOx-free air in a 1080 L photoreactor with in situ FTIR detection of organics. This work constitutes the first kinetic study of the reactions of OH radicals with (Z)-3-hepten-1-ol and (Z)-3-octen-1-ol as well as the first determination of the fate of the hydroxy alkoxy radicals formed in the title reactions. An analysis of the available rates of addition of OH and Cl to the double bond of different unsaturated alcohols at 298 K has shown that they can be related by the expression log kOH = (0.29 ± 0.04) log kCl – 10.8. The atmospheric lifetimes of the alcohols studies were estimated to be around 1 h for reaction with OH radicals. The products formed in the title reactions are mainly carbonylic compounds that can contribute to the formation of ozone and PANs-type compounds in the troposphere.
Fil: Gibilisco, Rodrigo Gastón. 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: Bejan, Iustinian. Alexandru Ioan Cuza University of Iasi; Rumania. “Al. I. Cuza” University; Rumania
Fil: Barnes, Ian. Bergische Universität Wuppertal; Alemania
Fil: Wiesen, Peter. Bergische 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
-
Unsaturated Alcohols
Atmospheric Oxidation
Rate Coefficients
Oh-Radical - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
.jpg)
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/47458
Ver los metadatos del registro completo
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Atmospheric sink of (E)-3-hexen-1-ol, (Z)-3-hepten-1-ol and (Z)-3-octen-1-ol: Rate coefficients and mechanisms of the OH-radical initiated degradationGibilisco, Rodrigo GastónBlanco, Maria BelenBejan, IustinianBarnes, IanWiesen, PeterTeruel, Mariano AndresUnsaturated AlcoholsAtmospheric OxidationRate CoefficientsOh-Radicalhttps://purl.org/becyt/ford/1.5https://purl.org/becyt/ford/1A kinetic study of the gas-phase reactions of OH radicals with three unsaturated biogenic alcohols, (E)-3-hexen-1-ol, (Z)-3-hepten-1-ol, and (Z)-3-octen-1-ol, has been performed. The rate coefficients obtained are (in units of 10–10 cm3 molecule–1 s–1) k1 (OH + (E)-CH2(OH)CH2CH═CHCH2CH3) = (1.14 ± 0.14), k2 (OH + (Z)-CH2(OH)CH2CH═CHCH2CH2CH3) = (1.28 ± 0.23), and k3 (OH + (Z)-CH2(OH)CH2CH═CHCH2CH2CH2CH3) = (1.49 ± 0.35). In addition, a product study on the reactions of OH with (E)-3-hexen-1-ol and (Z)-3-hepten-1-ol is reported. All the experiments were performed at (298 ± 2) K and 1 atm of NOx-free air in a 1080 L photoreactor with in situ FTIR detection of organics. This work constitutes the first kinetic study of the reactions of OH radicals with (Z)-3-hepten-1-ol and (Z)-3-octen-1-ol as well as the first determination of the fate of the hydroxy alkoxy radicals formed in the title reactions. An analysis of the available rates of addition of OH and Cl to the double bond of different unsaturated alcohols at 298 K has shown that they can be related by the expression log kOH = (0.29 ± 0.04) log kCl – 10.8. The atmospheric lifetimes of the alcohols studies were estimated to be around 1 h for reaction with OH radicals. The products formed in the title reactions are mainly carbonylic compounds that can contribute to the formation of ozone and PANs-type compounds in the troposphere.Fil: Gibilisco, Rodrigo Gastón. 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: Bejan, Iustinian. Alexandru Ioan Cuza University of Iasi; Rumania. “Al. I. Cuza” University; RumaniaFil: Barnes, Ian. Bergische Universität Wuppertal; AlemaniaFil: Wiesen, Peter. Bergische 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; ArgentinaAmerican Chemical Society2015-05-26info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/47458Gibilisco, Rodrigo Gastón; Blanco, Maria Belen; Bejan, Iustinian; Barnes, Ian; Wiesen, Peter; et al.; Atmospheric sink of (E)-3-hexen-1-ol, (Z)-3-hepten-1-ol and (Z)-3-octen-1-ol: Rate coefficients and mechanisms of the OH-radical initiated degradation; American Chemical Society; Environmental Science & Technology; 49; 13; 26-5-2015; 7717-77250013-936X1520-5851CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/es506125cinfo:eu-repo/semantics/altIdentifier/doi/10.1021/es506125cinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T10:09:18Zoai:ri.conicet.gov.ar:11336/47458instacron: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 10:09:18.876CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
| dc.title.none.fl_str_mv |
Atmospheric sink of (E)-3-hexen-1-ol, (Z)-3-hepten-1-ol and (Z)-3-octen-1-ol: Rate coefficients and mechanisms of the OH-radical initiated degradation |
| title |
Atmospheric sink of (E)-3-hexen-1-ol, (Z)-3-hepten-1-ol and (Z)-3-octen-1-ol: Rate coefficients and mechanisms of the OH-radical initiated degradation |
| spellingShingle |
Atmospheric sink of (E)-3-hexen-1-ol, (Z)-3-hepten-1-ol and (Z)-3-octen-1-ol: Rate coefficients and mechanisms of the OH-radical initiated degradation Gibilisco, Rodrigo Gastón Unsaturated Alcohols Atmospheric Oxidation Rate Coefficients Oh-Radical |
| title_short |
Atmospheric sink of (E)-3-hexen-1-ol, (Z)-3-hepten-1-ol and (Z)-3-octen-1-ol: Rate coefficients and mechanisms of the OH-radical initiated degradation |
| title_full |
Atmospheric sink of (E)-3-hexen-1-ol, (Z)-3-hepten-1-ol and (Z)-3-octen-1-ol: Rate coefficients and mechanisms of the OH-radical initiated degradation |
| title_fullStr |
Atmospheric sink of (E)-3-hexen-1-ol, (Z)-3-hepten-1-ol and (Z)-3-octen-1-ol: Rate coefficients and mechanisms of the OH-radical initiated degradation |
| title_full_unstemmed |
Atmospheric sink of (E)-3-hexen-1-ol, (Z)-3-hepten-1-ol and (Z)-3-octen-1-ol: Rate coefficients and mechanisms of the OH-radical initiated degradation |
| title_sort |
Atmospheric sink of (E)-3-hexen-1-ol, (Z)-3-hepten-1-ol and (Z)-3-octen-1-ol: Rate coefficients and mechanisms of the OH-radical initiated degradation |
| dc.creator.none.fl_str_mv |
Gibilisco, Rodrigo Gastón Blanco, Maria Belen Bejan, Iustinian Barnes, Ian Wiesen, Peter Teruel, Mariano Andres |
| author |
Gibilisco, Rodrigo Gastón |
| author_facet |
Gibilisco, Rodrigo Gastón Blanco, Maria Belen Bejan, Iustinian Barnes, Ian Wiesen, Peter Teruel, Mariano Andres |
| author_role |
author |
| author2 |
Blanco, Maria Belen Bejan, Iustinian Barnes, Ian Wiesen, Peter Teruel, Mariano Andres |
| author2_role |
author author author author author |
| dc.subject.none.fl_str_mv |
Unsaturated Alcohols Atmospheric Oxidation Rate Coefficients Oh-Radical |
| topic |
Unsaturated Alcohols Atmospheric Oxidation Rate Coefficients Oh-Radical |
| purl_subject.fl_str_mv |
https://purl.org/becyt/ford/1.5 https://purl.org/becyt/ford/1 |
| dc.description.none.fl_txt_mv |
A kinetic study of the gas-phase reactions of OH radicals with three unsaturated biogenic alcohols, (E)-3-hexen-1-ol, (Z)-3-hepten-1-ol, and (Z)-3-octen-1-ol, has been performed. The rate coefficients obtained are (in units of 10–10 cm3 molecule–1 s–1) k1 (OH + (E)-CH2(OH)CH2CH═CHCH2CH3) = (1.14 ± 0.14), k2 (OH + (Z)-CH2(OH)CH2CH═CHCH2CH2CH3) = (1.28 ± 0.23), and k3 (OH + (Z)-CH2(OH)CH2CH═CHCH2CH2CH2CH3) = (1.49 ± 0.35). In addition, a product study on the reactions of OH with (E)-3-hexen-1-ol and (Z)-3-hepten-1-ol is reported. All the experiments were performed at (298 ± 2) K and 1 atm of NOx-free air in a 1080 L photoreactor with in situ FTIR detection of organics. This work constitutes the first kinetic study of the reactions of OH radicals with (Z)-3-hepten-1-ol and (Z)-3-octen-1-ol as well as the first determination of the fate of the hydroxy alkoxy radicals formed in the title reactions. An analysis of the available rates of addition of OH and Cl to the double bond of different unsaturated alcohols at 298 K has shown that they can be related by the expression log kOH = (0.29 ± 0.04) log kCl – 10.8. The atmospheric lifetimes of the alcohols studies were estimated to be around 1 h for reaction with OH radicals. The products formed in the title reactions are mainly carbonylic compounds that can contribute to the formation of ozone and PANs-type compounds in the troposphere. Fil: Gibilisco, Rodrigo Gastón. 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: Bejan, Iustinian. Alexandru Ioan Cuza University of Iasi; Rumania. “Al. I. Cuza” University; Rumania Fil: Barnes, Ian. Bergische Universität Wuppertal; Alemania Fil: Wiesen, Peter. Bergische 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 |
A kinetic study of the gas-phase reactions of OH radicals with three unsaturated biogenic alcohols, (E)-3-hexen-1-ol, (Z)-3-hepten-1-ol, and (Z)-3-octen-1-ol, has been performed. The rate coefficients obtained are (in units of 10–10 cm3 molecule–1 s–1) k1 (OH + (E)-CH2(OH)CH2CH═CHCH2CH3) = (1.14 ± 0.14), k2 (OH + (Z)-CH2(OH)CH2CH═CHCH2CH2CH3) = (1.28 ± 0.23), and k3 (OH + (Z)-CH2(OH)CH2CH═CHCH2CH2CH2CH3) = (1.49 ± 0.35). In addition, a product study on the reactions of OH with (E)-3-hexen-1-ol and (Z)-3-hepten-1-ol is reported. All the experiments were performed at (298 ± 2) K and 1 atm of NOx-free air in a 1080 L photoreactor with in situ FTIR detection of organics. This work constitutes the first kinetic study of the reactions of OH radicals with (Z)-3-hepten-1-ol and (Z)-3-octen-1-ol as well as the first determination of the fate of the hydroxy alkoxy radicals formed in the title reactions. An analysis of the available rates of addition of OH and Cl to the double bond of different unsaturated alcohols at 298 K has shown that they can be related by the expression log kOH = (0.29 ± 0.04) log kCl – 10.8. The atmospheric lifetimes of the alcohols studies were estimated to be around 1 h for reaction with OH radicals. The products formed in the title reactions are mainly carbonylic compounds that can contribute to the formation of ozone and PANs-type compounds in the troposphere. |
| publishDate |
2015 |
| dc.date.none.fl_str_mv |
2015-05-26 |
| 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/11336/47458 Gibilisco, Rodrigo Gastón; Blanco, Maria Belen; Bejan, Iustinian; Barnes, Ian; Wiesen, Peter; et al.; Atmospheric sink of (E)-3-hexen-1-ol, (Z)-3-hepten-1-ol and (Z)-3-octen-1-ol: Rate coefficients and mechanisms of the OH-radical initiated degradation; American Chemical Society; Environmental Science & Technology; 49; 13; 26-5-2015; 7717-7725 0013-936X 1520-5851 CONICET Digital CONICET |
| url |
http://hdl.handle.net/11336/47458 |
| identifier_str_mv |
Gibilisco, Rodrigo Gastón; Blanco, Maria Belen; Bejan, Iustinian; Barnes, Ian; Wiesen, Peter; et al.; Atmospheric sink of (E)-3-hexen-1-ol, (Z)-3-hepten-1-ol and (Z)-3-octen-1-ol: Rate coefficients and mechanisms of the OH-radical initiated degradation; American Chemical Society; Environmental Science & Technology; 49; 13; 26-5-2015; 7717-7725 0013-936X 1520-5851 CONICET Digital CONICET |
| dc.language.none.fl_str_mv |
eng |
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eng |
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info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/es506125c info:eu-repo/semantics/altIdentifier/doi/10.1021/es506125c |
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info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ |
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openAccess |
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https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ |
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application/pdf application/pdf |
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American Chemical Society |
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American Chemical Society |
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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 |
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dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar |
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