Kinetics and reaction mechanism in the oxidation of ethyl formate in the presence of NO2: Atmospheric implications

Autores
Malanca, Fabio Ernesto; Fraire, Juan Carlos; Argüello, Gustavo Alejandro
Año de publicación
2009
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The mechanism for the Cl-initiated oxidation of ethyl formate (EF) has been determined in the presence of NO2. The Cl atom initiates the oxidation mainly at two different sites of the molecule; one corresponds to the H-atom abstraction on the carbon atom in the α-position of the oxygenated carbonylic group (62 ± 7)% and the second to the H-atom on the carbonylic group (44 ± 5)%. The quantification of products, within experimental uncertainties, accounts for the complete disappearance of EF. The attack of Cl atoms to the methyl group, if occurring at all, should provide for less than (2 ± 1)%. The progress of the reaction was followed by FTIR. The oxidation reaction carried out in the presence of NO2 led to the formation of formic acid, peroxyacetyl nitrate (CH3C(O)OONO2), ethyl nitrate (CH3CH2ONO2), acetic formic anhydride (CH3C(O)OC(O)H), 1-(nitrooxy) ethyl formate and the new peroxynitrate, peroxy ethoxyformyl nitrate (CH3CH2OC(O)OONO2, PEFN), whose thermal stability at room temperature was also measured.
Fil: Malanca, Fabio Ernesto. 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: Fraire, Juan Carlos. 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: Argüello, Gustavo Alejandro. 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
ATMOSPHERIC OXIDATION
ETHYL FORMATE
KINETICS MECHANISM
PEROXYNITRATES
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:11336/113955
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/113955
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Kinetics and reaction mechanism in the oxidation of ethyl formate in the presence of NO2: Atmospheric implicationsMalanca, Fabio ErnestoFraire, Juan CarlosArgüello, Gustavo AlejandroATMOSPHERIC OXIDATIONETHYL FORMATEKINETICS MECHANISMPEROXYNITRATEShttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The mechanism for the Cl-initiated oxidation of ethyl formate (EF) has been determined in the presence of NO2. The Cl atom initiates the oxidation mainly at two different sites of the molecule; one corresponds to the H-atom abstraction on the carbon atom in the α-position of the oxygenated carbonylic group (62 ± 7)% and the second to the H-atom on the carbonylic group (44 ± 5)%. The quantification of products, within experimental uncertainties, accounts for the complete disappearance of EF. The attack of Cl atoms to the methyl group, if occurring at all, should provide for less than (2 ± 1)%. The progress of the reaction was followed by FTIR. The oxidation reaction carried out in the presence of NO2 led to the formation of formic acid, peroxyacetyl nitrate (CH3C(O)OONO2), ethyl nitrate (CH3CH2ONO2), acetic formic anhydride (CH3C(O)OC(O)H), 1-(nitrooxy) ethyl formate and the new peroxynitrate, peroxy ethoxyformyl nitrate (CH3CH2OC(O)OONO2, PEFN), whose thermal stability at room temperature was also measured.Fil: Malanca, Fabio Ernesto. 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: Fraire, Juan Carlos. 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: Argüello, Gustavo Alejandro. 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; ArgentinaElsevier Science Sa2009-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/113955Malanca, Fabio Ernesto; Fraire, Juan Carlos; Argüello, Gustavo Alejandro; Kinetics and reaction mechanism in the oxidation of ethyl formate in the presence of NO2: Atmospheric implications; Elsevier Science Sa; Journal of Photochemistry and Photobiology A: Chemistry; 204; 1; 4-2009; 75-811010-6030CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S1010603009000823info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jphotochem.2009.02.015info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T12:01:05Zoai:ri.conicet.gov.ar:11336/113955instacron: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:34982025-10-22 12:01:05.381CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Kinetics and reaction mechanism in the oxidation of ethyl formate in the presence of NO2: Atmospheric implications
title Kinetics and reaction mechanism in the oxidation of ethyl formate in the presence of NO2: Atmospheric implications
spellingShingle Kinetics and reaction mechanism in the oxidation of ethyl formate in the presence of NO2: Atmospheric implications
Malanca, Fabio Ernesto
ATMOSPHERIC OXIDATION
ETHYL FORMATE
KINETICS MECHANISM
PEROXYNITRATES
title_short Kinetics and reaction mechanism in the oxidation of ethyl formate in the presence of NO2: Atmospheric implications
title_full Kinetics and reaction mechanism in the oxidation of ethyl formate in the presence of NO2: Atmospheric implications
title_fullStr Kinetics and reaction mechanism in the oxidation of ethyl formate in the presence of NO2: Atmospheric implications
title_full_unstemmed Kinetics and reaction mechanism in the oxidation of ethyl formate in the presence of NO2: Atmospheric implications
title_sort Kinetics and reaction mechanism in the oxidation of ethyl formate in the presence of NO2: Atmospheric implications
dc.creator.none.fl_str_mv Malanca, Fabio Ernesto
Fraire, Juan Carlos
Argüello, Gustavo Alejandro
author Malanca, Fabio Ernesto
author_facet Malanca, Fabio Ernesto
Fraire, Juan Carlos
Argüello, Gustavo Alejandro
author_role author
author2 Fraire, Juan Carlos
Argüello, Gustavo Alejandro
author2_role author
author
dc.subject.none.fl_str_mv ATMOSPHERIC OXIDATION
ETHYL FORMATE
KINETICS MECHANISM
PEROXYNITRATES
topic ATMOSPHERIC OXIDATION
ETHYL FORMATE
KINETICS MECHANISM
PEROXYNITRATES
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 mechanism for the Cl-initiated oxidation of ethyl formate (EF) has been determined in the presence of NO2. The Cl atom initiates the oxidation mainly at two different sites of the molecule; one corresponds to the H-atom abstraction on the carbon atom in the α-position of the oxygenated carbonylic group (62 ± 7)% and the second to the H-atom on the carbonylic group (44 ± 5)%. The quantification of products, within experimental uncertainties, accounts for the complete disappearance of EF. The attack of Cl atoms to the methyl group, if occurring at all, should provide for less than (2 ± 1)%. The progress of the reaction was followed by FTIR. The oxidation reaction carried out in the presence of NO2 led to the formation of formic acid, peroxyacetyl nitrate (CH3C(O)OONO2), ethyl nitrate (CH3CH2ONO2), acetic formic anhydride (CH3C(O)OC(O)H), 1-(nitrooxy) ethyl formate and the new peroxynitrate, peroxy ethoxyformyl nitrate (CH3CH2OC(O)OONO2, PEFN), whose thermal stability at room temperature was also measured.
Fil: Malanca, Fabio Ernesto. 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: Fraire, Juan Carlos. 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: Argüello, Gustavo Alejandro. 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 mechanism for the Cl-initiated oxidation of ethyl formate (EF) has been determined in the presence of NO2. The Cl atom initiates the oxidation mainly at two different sites of the molecule; one corresponds to the H-atom abstraction on the carbon atom in the α-position of the oxygenated carbonylic group (62 ± 7)% and the second to the H-atom on the carbonylic group (44 ± 5)%. The quantification of products, within experimental uncertainties, accounts for the complete disappearance of EF. The attack of Cl atoms to the methyl group, if occurring at all, should provide for less than (2 ± 1)%. The progress of the reaction was followed by FTIR. The oxidation reaction carried out in the presence of NO2 led to the formation of formic acid, peroxyacetyl nitrate (CH3C(O)OONO2), ethyl nitrate (CH3CH2ONO2), acetic formic anhydride (CH3C(O)OC(O)H), 1-(nitrooxy) ethyl formate and the new peroxynitrate, peroxy ethoxyformyl nitrate (CH3CH2OC(O)OONO2, PEFN), whose thermal stability at room temperature was also measured.
publishDate 2009
dc.date.none.fl_str_mv 2009-04
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/11336/113955
Malanca, Fabio Ernesto; Fraire, Juan Carlos; Argüello, Gustavo Alejandro; Kinetics and reaction mechanism in the oxidation of ethyl formate in the presence of NO2: Atmospheric implications; Elsevier Science Sa; Journal of Photochemistry and Photobiology A: Chemistry; 204; 1; 4-2009; 75-81
1010-6030
CONICET Digital
CONICET
url http://hdl.handle.net/11336/113955
identifier_str_mv Malanca, Fabio Ernesto; Fraire, Juan Carlos; Argüello, Gustavo Alejandro; Kinetics and reaction mechanism in the oxidation of ethyl formate in the presence of NO2: Atmospheric implications; Elsevier Science Sa; Journal of Photochemistry and Photobiology A: Chemistry; 204; 1; 4-2009; 75-81
1010-6030
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://www.sciencedirect.com/science/article/pii/S1010603009000823
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jphotochem.2009.02.015
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
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science Sa
publisher.none.fl_str_mv Elsevier Science Sa
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 13.229304

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