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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/49759
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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 Técnicas2025-09-29T10:10:43Zoai: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:34982025-09-29 10:10:44.149CONICET 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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1844613999518285824 |
score |
13.070432 |