Peroxy ethoxyformyl nitrate, CH3CH2OC(O)OONO2. Spectroscopic and thermal characterization

Autores
Bossolasco, Adriana Gabriela; Malanca, Fabio Ernesto; Argüello, Gustavo Alejandro
Año de publicación
2011
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Synthesis of CH3CH2OC(O)OONO2 was carried out from the photolysis of a mixture of ethyl formate (CH3CH2OC(O)H), Cl2, NO2, and O2 at 253K using UV radiation. It was characterized by IR, UV spectroscopy,and mass spectrometry. Thermal decomposition was studied between 279 and 301 K, at totalpressures of 1 atm. The pressure dependence of the reaction rate constant was studied at 298K from 7 to 1000 mbar. The activation energy was determined at a total pressure of 1 atm, ensuring that kinetic studies were performed in the high pressure limit. The DFT method [B3LYP/6.31++G(d,p)] was used to identify the most stable rotamer as well as its geometric parameters and energetics.At room temperature, CH3CH2OC(O)OONO2 is stable for several days in the gas state, as revealed by its measured lifetime. The atmospheric implications of this finding are discussed.
Fil: Bossolasco, Adriana Gabriela. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas; Argentina. 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. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas; 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. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas; Argentina
Materia
Peroxynitrates
Absorption cross-sections
Peroxy acyl nitrates
Peroxy ethoxyformyl nitrate
Thermal stability
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:11336/277544
Acceder
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network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Peroxy ethoxyformyl nitrate, CH3CH2OC(O)OONO2. Spectroscopic and thermal characterizationBossolasco, Adriana GabrielaMalanca, Fabio ErnestoArgüello, Gustavo AlejandroPeroxynitratesAbsorption cross-sectionsPeroxy acyl nitratesPeroxy ethoxyformyl nitrateThermal stabilityhttps://purl.org/becyt/ford/1.5https://purl.org/becyt/ford/1https://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Synthesis of CH3CH2OC(O)OONO2 was carried out from the photolysis of a mixture of ethyl formate (CH3CH2OC(O)H), Cl2, NO2, and O2 at 253K using UV radiation. It was characterized by IR, UV spectroscopy,and mass spectrometry. Thermal decomposition was studied between 279 and 301 K, at totalpressures of 1 atm. The pressure dependence of the reaction rate constant was studied at 298K from 7 to 1000 mbar. The activation energy was determined at a total pressure of 1 atm, ensuring that kinetic studies were performed in the high pressure limit. The DFT method [B3LYP/6.31++G(d,p)] was used to identify the most stable rotamer as well as its geometric parameters and energetics.At room temperature, CH3CH2OC(O)OONO2 is stable for several days in the gas state, as revealed by its measured lifetime. The atmospheric implications of this finding are discussed.Fil: Bossolasco, Adriana Gabriela. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas; Argentina. 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; Argentina. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas; 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; Argentina. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas; ArgentinaElsevier Science SA2011-05info: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/11336/277544Bossolasco, Adriana Gabriela; Malanca, Fabio Ernesto; Argüello, Gustavo Alejandro; Peroxy ethoxyformyl nitrate, CH3CH2OC(O)OONO2. Spectroscopic and thermal characterization; Elsevier Science SA; Journal of Photochemistry and Photobiology A: Chemistry; 221; 1; 5-2011; 58-631010-6030CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S1010603011001808info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jphotochem.2011.04.024info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-12-23T14:28:49Zoai:ri.conicet.gov.ar:11336/277544instacron: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:34982025-12-23 14:28:49.896CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Peroxy ethoxyformyl nitrate, CH3CH2OC(O)OONO2. Spectroscopic and thermal characterization
title Peroxy ethoxyformyl nitrate, CH3CH2OC(O)OONO2. Spectroscopic and thermal characterization
spellingShingle Peroxy ethoxyformyl nitrate, CH3CH2OC(O)OONO2. Spectroscopic and thermal characterization
Bossolasco, Adriana Gabriela
Peroxynitrates
Absorption cross-sections
Peroxy acyl nitrates
Peroxy ethoxyformyl nitrate
Thermal stability
title_short Peroxy ethoxyformyl nitrate, CH3CH2OC(O)OONO2. Spectroscopic and thermal characterization
title_full Peroxy ethoxyformyl nitrate, CH3CH2OC(O)OONO2. Spectroscopic and thermal characterization
title_fullStr Peroxy ethoxyformyl nitrate, CH3CH2OC(O)OONO2. Spectroscopic and thermal characterization
title_full_unstemmed Peroxy ethoxyformyl nitrate, CH3CH2OC(O)OONO2. Spectroscopic and thermal characterization
title_sort Peroxy ethoxyformyl nitrate, CH3CH2OC(O)OONO2. Spectroscopic and thermal characterization
dc.creator.none.fl_str_mv Bossolasco, Adriana Gabriela
Malanca, Fabio Ernesto
Argüello, Gustavo Alejandro
author Bossolasco, Adriana Gabriela
author_facet Bossolasco, Adriana Gabriela
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 Peroxynitrates
Absorption cross-sections
Peroxy acyl nitrates
Peroxy ethoxyformyl nitrate
Thermal stability
topic Peroxynitrates
Absorption cross-sections
Peroxy acyl nitrates
Peroxy ethoxyformyl nitrate
Thermal stability
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.5
https://purl.org/becyt/ford/1
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Synthesis of CH3CH2OC(O)OONO2 was carried out from the photolysis of a mixture of ethyl formate (CH3CH2OC(O)H), Cl2, NO2, and O2 at 253K using UV radiation. It was characterized by IR, UV spectroscopy,and mass spectrometry. Thermal decomposition was studied between 279 and 301 K, at totalpressures of 1 atm. The pressure dependence of the reaction rate constant was studied at 298K from 7 to 1000 mbar. The activation energy was determined at a total pressure of 1 atm, ensuring that kinetic studies were performed in the high pressure limit. The DFT method [B3LYP/6.31++G(d,p)] was used to identify the most stable rotamer as well as its geometric parameters and energetics.At room temperature, CH3CH2OC(O)OONO2 is stable for several days in the gas state, as revealed by its measured lifetime. The atmospheric implications of this finding are discussed.
Fil: Bossolasco, Adriana Gabriela. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas; Argentina. 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. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas; 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. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas; Argentina
description Synthesis of CH3CH2OC(O)OONO2 was carried out from the photolysis of a mixture of ethyl formate (CH3CH2OC(O)H), Cl2, NO2, and O2 at 253K using UV radiation. It was characterized by IR, UV spectroscopy,and mass spectrometry. Thermal decomposition was studied between 279 and 301 K, at totalpressures of 1 atm. The pressure dependence of the reaction rate constant was studied at 298K from 7 to 1000 mbar. The activation energy was determined at a total pressure of 1 atm, ensuring that kinetic studies were performed in the high pressure limit. The DFT method [B3LYP/6.31++G(d,p)] was used to identify the most stable rotamer as well as its geometric parameters and energetics.At room temperature, CH3CH2OC(O)OONO2 is stable for several days in the gas state, as revealed by its measured lifetime. The atmospheric implications of this finding are discussed.
publishDate 2011
dc.date.none.fl_str_mv 2011-05
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/11336/277544
Bossolasco, Adriana Gabriela; Malanca, Fabio Ernesto; Argüello, Gustavo Alejandro; Peroxy ethoxyformyl nitrate, CH3CH2OC(O)OONO2. Spectroscopic and thermal characterization; Elsevier Science SA; Journal of Photochemistry and Photobiology A: Chemistry; 221; 1; 5-2011; 58-63
1010-6030
CONICET Digital
CONICET
url http://hdl.handle.net/11336/277544
identifier_str_mv Bossolasco, Adriana Gabriela; Malanca, Fabio Ernesto; Argüello, Gustavo Alejandro; Peroxy ethoxyformyl nitrate, CH3CH2OC(O)OONO2. Spectroscopic and thermal characterization; Elsevier Science SA; Journal of Photochemistry and Photobiology A: Chemistry; 221; 1; 5-2011; 58-63
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/https://www.sciencedirect.com/science/article/abs/pii/S1010603011001808
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jphotochem.2011.04.024
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
_version_ 1852335680870416384
score 12.952241

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