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dc.contributor.author Berasategui, Matias
dc.contributor.author Burgos Paci, Maximiliano Alberto
dc.contributor.author Argüello, Gustavo Alejandro
dc.date.available 2017-12-22T19:17:42Z
dc.date.issued 2014-02
dc.identifier.citation Argüello, Gustavo Alejandro; Burgos Paci, Maximiliano Alberto; Berasategui, Matias; Properties and Thermal Decomposition of the Hydro-Fluoro-Peroxide CH3OC(O)OOC(O)F; American Chemical Society; Journal of Physical Chemistry A; 118; 12; 2-2014; 2167-2175
dc.identifier.issn 1089-5639
dc.identifier.uri http://hdl.handle.net/11336/31429
dc.description.abstract The thermal decomposition of methyl fluoroformyl peroxycarbonate CH3OC(O)OOC(O)F was studied in the range of 30– 96 °C using FTIR spectroscopy to follow the course of the reaction in the presence of either N2, O2, or CO as bath gases. The rate constants of the homogeneous first-order process fit the Arrhenius equation kexp = (5.4 ± 0.2) × 1014 exp[−(27.1 ± 0.6 kcal mol–1/RT)] (in units of s–1). A complete mechanism of decomposition is presented. An experimental O–O bond energy of 27 ± 1 kcal mol–1 was obtained. The products observed when N2 or O2 are used as bath gases were CO2, CO, HF, and CH3OC(O)H, while in the presence of CO, CH3OC(O)F was also observed. Transition state ab initio calculations were carried out to understand the dynamics of the decomposition. Additionally, thermodynamic properties of the atmospherically relevant CH3OCO2• radical were calculated. The heat of formation, ΔH°f 298, obtained for CH3OCO2• and CH3OC(O)OOC(O)F, were 78 ± 3 kcal mol–1 and 191 ± 5 kcal mol–1, respectively.
dc.format application/pdf
dc.language.iso eng
dc.publisher American Chemical Society
dc.rights info:eu-repo/semantics/restrictedAccess
dc.rights.uri https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject FTIR
dc.subject thermal decomposition
dc.subject kinetics
dc.subject.classification Otras Ciencias Químicas
dc.subject.classification Ciencias Químicas
dc.subject.classification CIENCIAS NATURALES Y EXACTAS
dc.title Properties and Thermal Decomposition of the Hydro-Fluoro-Peroxide CH3OC(O)OOC(O)F
dc.type info:eu-repo/semantics/article
dc.type info:ar-repo/semantics/artículo
dc.type info:eu-repo/semantics/publishedVersion
dc.date.updated 2017-12-21T16:28:12Z
dc.journal.volume 118
dc.journal.number 12
dc.journal.pagination 2167-2175
dc.journal.pais Estados Unidos
dc.journal.ciudad Washington
dc.description.fil Fil: Berasategui, Matias. 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
dc.description.fil Fil: 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; Argentina
dc.description.fil 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
dc.journal.title Journal of Physical Chemistry A
dc.relation.alternativeid info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/10.1021/jp407871x
dc.relation.alternativeid info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/jp407871x
dc.conicet.fuente unificacion


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  • Articulos(INFIQC) [773]
    Articulos de INST.DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA

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info:eu-repo/semantics/restrictedAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)