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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


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  • Articulos(INFIQC) [861]
    Articulos de INST.DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA

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