A new perfluorinated peroxynitrate, CF3CF2CF2CF2OONO2. Synthesis,characterization and atmospheric implications

CF3CF2CF2CF2OONO2was synthesized from the photolysis of CF3CF2CF2CF2I, in presence of NO2and O2.Alkyl peroxynitrates (CxF2x+1OONO2) could be formed in the atmospheric degradation of chlorofluorocar-bons, hydrofluorocarbons and hydrofluoroethers. We present here the synthesis and characterization (IR...

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Detalles Bibliográficos
Autores: Bossolasco, Adriana Gabriela, Vila, Jesús Alberto, Burgos Paci, Maximiliano Alberto, Malanca, Fabio Ernesto, Argüello, Gustavo Alejandro
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2014
País:Argentina
Institución:Consejo Nacional de Investigaciones Científicas y Técnicas
Repositorio:CONICET Digital (CONICET)
Idioma:inglés
OAI Identifier:oai:ri.conicet.gov.ar:11336/31480
Acceso en línea:http://hdl.handle.net/11336/31480
Access Level:acceso abierto
Palabra clave:Perfluoro Alkyl Peroxynitrate
Cf3cf2cf2cf2oono2
Thermal Decomposition
Kinetic Parameters
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
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oai_identifier_str oai:ri.conicet.gov.ar:11336/31480
network_acronym_str AR
network_name_str Argentina
repository_id_str
dc.title.none.fl_str_mv A new perfluorinated peroxynitrate, CF3CF2CF2CF2OONO2. Synthesis,characterization and atmospheric implications
title A new perfluorinated peroxynitrate, CF3CF2CF2CF2OONO2. Synthesis,characterization and atmospheric implications
spellingShingle A new perfluorinated peroxynitrate, CF3CF2CF2CF2OONO2. Synthesis,characterization and atmospheric implications
Bossolasco, Adriana Gabriela
Perfluoro Alkyl Peroxynitrate
Cf3cf2cf2cf2oono2
Thermal Decomposition
Kinetic Parameters
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
title_short A new perfluorinated peroxynitrate, CF3CF2CF2CF2OONO2. Synthesis,characterization and atmospheric implications
title_full A new perfluorinated peroxynitrate, CF3CF2CF2CF2OONO2. Synthesis,characterization and atmospheric implications
title_fullStr A new perfluorinated peroxynitrate, CF3CF2CF2CF2OONO2. Synthesis,characterization and atmospheric implications
title_full_unstemmed A new perfluorinated peroxynitrate, CF3CF2CF2CF2OONO2. Synthesis,characterization and atmospheric implications
title_sort A new perfluorinated peroxynitrate, CF3CF2CF2CF2OONO2. Synthesis,characterization and atmospheric implications
dc.creator.none.fl_str_mv Bossolasco, Adriana Gabriela
Vila, Jesús Alberto
Burgos Paci, Maximiliano Alberto
Malanca, Fabio Ernesto
Argüello, Gustavo Alejandro
author Bossolasco, Adriana Gabriela
author_facet Bossolasco, Adriana Gabriela
Vila, Jesús Alberto
Burgos Paci, Maximiliano Alberto
Malanca, Fabio Ernesto
Argüello, Gustavo Alejandro
author_role author
author2 Vila, Jesús Alberto
Burgos Paci, Maximiliano Alberto
Malanca, Fabio Ernesto
Argüello, Gustavo Alejandro
author2_role author
author
author
author
dc.subject.none.fl_str_mv Perfluoro Alkyl Peroxynitrate
Cf3cf2cf2cf2oono2
Thermal Decomposition
Kinetic Parameters
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
topic Perfluoro Alkyl Peroxynitrate
Cf3cf2cf2cf2oono2
Thermal Decomposition
Kinetic Parameters
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
description CF3CF2CF2CF2OONO2was synthesized from the photolysis of CF3CF2CF2CF2I, in presence of NO2and O2.Alkyl peroxynitrates (CxF2x+1OONO2) could be formed in the atmospheric degradation of chlorofluorocar-bons, hydrofluorocarbons and hydrofluoroethers. We present here the synthesis and characterization (IRand UV absorption cross sections) of CF3CF2CF2CF2OONO2and its comparison with those correspondingto other perfluoro alkyl peroxynitrates. The thermal stability was studied as a function of total pressure(from 9.0 to 417 mbar) and temperature (from 283 to 293 K) using infrared spectroscopy. Kinetic param-eters measured for the thermal dissociation wereEa= (81 ± 4) kJ/mol andA= 4.8 1012. DFT calculationsat the B3LYP/6-311+G⁄level were used to explore the ground state potential energy surface. Geometricalparameters, conformer populations and vibrational spectra are presented. The calculated activationenergy was 81.3 kJ mol 1in excellent agreement with experimental results. Atmospheric implicationsare discussed.
publishDate 2014
dc.date.none.fl_str_mv 2014-09
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/11336/31480
Argüello, Gustavo Alejandro; Malanca, Fabio Ernesto; Burgos Paci, Maximiliano Alberto; Vila, Jesús Alberto; Bossolasco, Adriana Gabriela; A new perfluorinated peroxynitrate, CF3CF2CF2CF2OONO2. Synthesis,characterization and atmospheric implications; Elsevier Science; Chemical Physics; 441; 9-2014; 11-16
0301-0104
CONICET Digital
CONICET
url http://hdl.handle.net/11336/31480
identifier_str_mv Argüello, Gustavo Alejandro; Malanca, Fabio Ernesto; Burgos Paci, Maximiliano Alberto; Vila, Jesús Alberto; Bossolasco, Adriana Gabriela; A new perfluorinated peroxynitrate, CF3CF2CF2CF2OONO2. Synthesis,characterization and atmospheric implications; Elsevier Science; Chemical Physics; 441; 9-2014; 11-16
0301-0104
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/S030101041400175
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.chemphys.2014.06.011
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
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
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_ 1799195628471844864
spelling A new perfluorinated peroxynitrate, CF3CF2CF2CF2OONO2. Synthesis,characterization and atmospheric implicationsBossolasco, Adriana GabrielaVila, Jesús AlbertoBurgos Paci, Maximiliano AlbertoMalanca, Fabio ErnestoArgüello, Gustavo AlejandroPerfluoro Alkyl PeroxynitrateCf3cf2cf2cf2oono2Thermal DecompositionKinetic Parametershttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1CF3CF2CF2CF2OONO2was synthesized from the photolysis of CF3CF2CF2CF2I, in presence of NO2and O2.Alkyl peroxynitrates (CxF2x+1OONO2) could be formed in the atmospheric degradation of chlorofluorocar-bons, hydrofluorocarbons and hydrofluoroethers. We present here the synthesis and characterization (IRand UV absorption cross sections) of CF3CF2CF2CF2OONO2and its comparison with those correspondingto other perfluoro alkyl peroxynitrates. The thermal stability was studied as a function of total pressure(from 9.0 to 417 mbar) and temperature (from 283 to 293 K) using infrared spectroscopy. Kinetic param-eters measured for the thermal dissociation wereEa= (81 ± 4) kJ/mol andA= 4.8 1012. DFT calculationsat the B3LYP/6-311+G⁄level were used to explore the ground state potential energy surface. Geometricalparameters, conformer populations and vibrational spectra are presented. The calculated activationenergy was 81.3 kJ mol 1in excellent agreement with experimental results. Atmospheric implicationsare discussed.Fil: Bossolasco, Adriana Gabriela. 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: 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: Burgos Paci, Maximiliano 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; ArgentinaElsevier Science2014-09info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/31480Argüello, Gustavo Alejandro; Malanca, Fabio Ernesto; Burgos Paci, Maximiliano Alberto; Vila, Jesús Alberto; Bossolasco, Adriana Gabriela; A new perfluorinated peroxynitrate, CF3CF2CF2CF2OONO2. Synthesis,characterization and atmospheric implications; Elsevier Science; Chemical Physics; 441; 9-2014; 11-160301-0104CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S030101041400175info:eu-repo/semantics/altIdentifier/doi/10.1016/j.chemphys.2014.06.011info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2024-05-08T13:58:27Zoai:ri.conicet.gov.ar:11336/31480instacron: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:34982024-05-08 13:58:27.519CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
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