Photolysis of n-propyl formate in the presence of O2 and NO2: Peroxy formyl propyl nitrate CH3CH2CH2OC(O)OONO2 synthesis and characterization

Autores
Vila, Jesús Alberto; Malanca, Fabio Ernesto; Argüello, Gustavo Alejandro
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The photo-oxidation of n-propyl formate (initiated by chlorine atoms) was studied in the presence of NO2, and the products were identified. The Cl atom attack to the molecule occurs in four sites, leading to the formation of formic acid, carbon dioxide, dicarbonylic products, nitrates, peroxy propionyl nitrate (CH3CH2C(O)OONO2, PPN), and a new peroxynitrate, peroxy formyl propyl nitrate (CH3CH2CH2OC(O)OONO2, PFPN). To characterize bulk quantities of the PFPN, its synthesis was carried out by the photolysis of mixtures of CH3CH2CH2OC(O)H, NO2, Cl2, and O2. After purification, its infrared spectrum and thermal stability were determined. The main infrared absorption bands and their corresponding cross sections are 796, 1219, 1302, 1741, and 1831 cm–1 (1.16, 3.11, 0.88, 2.42, and 1.34 × 10–18 cm2 molec–1, respectively). Thermal decomposition was studied as a function of pressure from 6.0 to 1000 mbar at 298 K, and the activation energy was determined between 293 and 304 K at total pressures of 9.0 and 1000 mbar (Ea = 98 ± 3 and 110 ± 2 kJ/mol, respectively). The atmospheric thermal lifetimes were obtained from kinetic parameters.
Fil: Vila, Jesús Alberto. 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: 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: 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
Peroxynitrate
Mechanism
Kinetic
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:11336/49759
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/49759
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repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Photolysis of n-propyl formate in the presence of O2 and NO2: Peroxy formyl propyl nitrate CH3CH2CH2OC(O)OONO2 synthesis and characterizationVila, Jesús AlbertoMalanca, Fabio ErnestoArgüello, Gustavo AlejandroPeroxynitrateMechanismKinetichttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The photo-oxidation of n-propyl formate (initiated by chlorine atoms) was studied in the presence of NO2, and the products were identified. The Cl atom attack to the molecule occurs in four sites, leading to the formation of formic acid, carbon dioxide, dicarbonylic products, nitrates, peroxy propionyl nitrate (CH3CH2C(O)OONO2, PPN), and a new peroxynitrate, peroxy formyl propyl nitrate (CH3CH2CH2OC(O)OONO2, PFPN). To characterize bulk quantities of the PFPN, its synthesis was carried out by the photolysis of mixtures of CH3CH2CH2OC(O)H, NO2, Cl2, and O2. After purification, its infrared spectrum and thermal stability were determined. The main infrared absorption bands and their corresponding cross sections are 796, 1219, 1302, 1741, and 1831 cm–1 (1.16, 3.11, 0.88, 2.42, and 1.34 × 10–18 cm2 molec–1, respectively). Thermal decomposition was studied as a function of pressure from 6.0 to 1000 mbar at 298 K, and the activation energy was determined between 293 and 304 K at total pressures of 9.0 and 1000 mbar (Ea = 98 ± 3 and 110 ± 2 kJ/mol, respectively). The atmospheric thermal lifetimes were obtained from kinetic parameters.Fil: Vila, Jesús Alberto. 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: 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: 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; ArgentinaAmerican Chemical Society2015-12-25info: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/11336/49759Vila, Jesús Alberto; Malanca, Fabio Ernesto; Argüello, Gustavo Alejandro; Photolysis of n-propyl formate in the presence of O2 and NO2: Peroxy formyl propyl nitrate CH3CH2CH2OC(O)OONO2 synthesis and characterization; American Chemical Society; Journal of Physical Chemistry A; 120; 2; 25-12-2015; 241-2461089-56391520-5215CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/acs.jpca.5b11313#info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpca.5b11313info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T15:07:55Zoai:ri.conicet.gov.ar:11336/49759instacron: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:34982025-10-15 15:07:55.52CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Photolysis of n-propyl formate in the presence of O2 and NO2: Peroxy formyl propyl nitrate CH3CH2CH2OC(O)OONO2 synthesis and characterization
title Photolysis of n-propyl formate in the presence of O2 and NO2: Peroxy formyl propyl nitrate CH3CH2CH2OC(O)OONO2 synthesis and characterization
spellingShingle Photolysis of n-propyl formate in the presence of O2 and NO2: Peroxy formyl propyl nitrate CH3CH2CH2OC(O)OONO2 synthesis and characterization
Vila, Jesús Alberto
Peroxynitrate
Mechanism
Kinetic
title_short Photolysis of n-propyl formate in the presence of O2 and NO2: Peroxy formyl propyl nitrate CH3CH2CH2OC(O)OONO2 synthesis and characterization
title_full Photolysis of n-propyl formate in the presence of O2 and NO2: Peroxy formyl propyl nitrate CH3CH2CH2OC(O)OONO2 synthesis and characterization
title_fullStr Photolysis of n-propyl formate in the presence of O2 and NO2: Peroxy formyl propyl nitrate CH3CH2CH2OC(O)OONO2 synthesis and characterization
title_full_unstemmed Photolysis of n-propyl formate in the presence of O2 and NO2: Peroxy formyl propyl nitrate CH3CH2CH2OC(O)OONO2 synthesis and characterization
title_sort Photolysis of n-propyl formate in the presence of O2 and NO2: Peroxy formyl propyl nitrate CH3CH2CH2OC(O)OONO2 synthesis and characterization
dc.creator.none.fl_str_mv Vila, Jesús Alberto
Malanca, Fabio Ernesto
Argüello, Gustavo Alejandro
author Vila, Jesús Alberto
author_facet Vila, Jesús Alberto
Malanca, Fabio Ernesto
Argüello, Gustavo Alejandro
author_role author
author2 Malanca, Fabio Ernesto
Argüello, Gustavo Alejandro
author2_role author
author
dc.subject.none.fl_str_mv Peroxynitrate
Mechanism
Kinetic
topic Peroxynitrate
Mechanism
Kinetic
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 photo-oxidation of n-propyl formate (initiated by chlorine atoms) was studied in the presence of NO2, and the products were identified. The Cl atom attack to the molecule occurs in four sites, leading to the formation of formic acid, carbon dioxide, dicarbonylic products, nitrates, peroxy propionyl nitrate (CH3CH2C(O)OONO2, PPN), and a new peroxynitrate, peroxy formyl propyl nitrate (CH3CH2CH2OC(O)OONO2, PFPN). To characterize bulk quantities of the PFPN, its synthesis was carried out by the photolysis of mixtures of CH3CH2CH2OC(O)H, NO2, Cl2, and O2. After purification, its infrared spectrum and thermal stability were determined. The main infrared absorption bands and their corresponding cross sections are 796, 1219, 1302, 1741, and 1831 cm–1 (1.16, 3.11, 0.88, 2.42, and 1.34 × 10–18 cm2 molec–1, respectively). Thermal decomposition was studied as a function of pressure from 6.0 to 1000 mbar at 298 K, and the activation energy was determined between 293 and 304 K at total pressures of 9.0 and 1000 mbar (Ea = 98 ± 3 and 110 ± 2 kJ/mol, respectively). The atmospheric thermal lifetimes were obtained from kinetic parameters.
Fil: Vila, Jesús Alberto. 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: 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: 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 photo-oxidation of n-propyl formate (initiated by chlorine atoms) was studied in the presence of NO2, and the products were identified. The Cl atom attack to the molecule occurs in four sites, leading to the formation of formic acid, carbon dioxide, dicarbonylic products, nitrates, peroxy propionyl nitrate (CH3CH2C(O)OONO2, PPN), and a new peroxynitrate, peroxy formyl propyl nitrate (CH3CH2CH2OC(O)OONO2, PFPN). To characterize bulk quantities of the PFPN, its synthesis was carried out by the photolysis of mixtures of CH3CH2CH2OC(O)H, NO2, Cl2, and O2. After purification, its infrared spectrum and thermal stability were determined. The main infrared absorption bands and their corresponding cross sections are 796, 1219, 1302, 1741, and 1831 cm–1 (1.16, 3.11, 0.88, 2.42, and 1.34 × 10–18 cm2 molec–1, respectively). Thermal decomposition was studied as a function of pressure from 6.0 to 1000 mbar at 298 K, and the activation energy was determined between 293 and 304 K at total pressures of 9.0 and 1000 mbar (Ea = 98 ± 3 and 110 ± 2 kJ/mol, respectively). The atmospheric thermal lifetimes were obtained from kinetic parameters.
publishDate 2015
dc.date.none.fl_str_mv 2015-12-25
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/11336/49759
Vila, Jesús Alberto; Malanca, Fabio Ernesto; Argüello, Gustavo Alejandro; Photolysis of n-propyl formate in the presence of O2 and NO2: Peroxy formyl propyl nitrate CH3CH2CH2OC(O)OONO2 synthesis and characterization; American Chemical Society; Journal of Physical Chemistry A; 120; 2; 25-12-2015; 241-246
1089-5639
1520-5215
CONICET Digital
CONICET
url http://hdl.handle.net/11336/49759
identifier_str_mv Vila, Jesús Alberto; Malanca, Fabio Ernesto; Argüello, Gustavo Alejandro; Photolysis of n-propyl formate in the presence of O2 and NO2: Peroxy formyl propyl nitrate CH3CH2CH2OC(O)OONO2 synthesis and characterization; American Chemical Society; Journal of Physical Chemistry A; 120; 2; 25-12-2015; 241-246
1089-5639
1520-5215
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/acs.jpca.5b11313#
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpca.5b11313
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
application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
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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