Argentina | Artículos de revistas
dc.creatorBossolasco, Adriana Gabriela
dc.creatorVila, Jesús Alberto
dc.creatorBurgos Paci, Maximiliano Alberto
dc.creatorMalanca, Fabio Ernesto
dc.creatorArgüello, Gustavo Alejandro
dc.date.accessioned2017-12-26T13:42:04Z
dc.date.accessioned2018-11-06T13:40:13Z
dc.date.available2017-12-26T13:42:04Z
dc.date.available2018-11-06T13:40:13Z
dc.date.created2017-12-26T13:42:04Z
dc.date.issued2014-09
dc.identifierArgüello, 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
dc.identifier0301-0104
dc.identifierhttp://hdl.handle.net/11336/31480
dc.identifierCONICET Digital
dc.identifierCONICET
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1877967
dc.description.abstractCF3CF2CF2CF2OONO2was 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.
dc.languageeng
dc.publisherElsevier Science
dc.relationinfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S030101041400175
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.chemphys.2014.06.011
dc.rightshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.rightsinfo:eu-repo/semantics/restrictedAccess
dc.subjectPerfluoro alkyl peroxynitrate
dc.subjectCF3CF2CF2CF2OONO2
dc.subjectThermal decomposition
dc.subjectKinetic parameters
dc.titleA new perfluorinated peroxynitrate, CF3CF2CF2CF2OONO2. Synthesis,characterization and atmospheric implications
dc.typeArtículos de revistas
dc.typeArtículos de revistas
dc.typeArtículos de revistas


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