Artículo
Trifluoromethyl fluoroformyl trioxicarbonate, CF3OC(O)OOOC(O)F: The first nonsymmetric acyl trioxide
Fecha de publicación:
07/2009
Editorial:
American Chemical Society
Revista:
Journal of Physical Chemistry A
ISSN:
1089-5639
e-ISSN:
1520-5215
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
This paper reports for the first time the synthesis and characterization of trifluoromethyl fluoroformyl trioxicarbonate, CF3OC(O)OOOC(O)F. The new trioxide is obtained from the gas-phase photolytic reaction of CF 3C(O)OC(O)CF3and FC(O)C(O)F at 223-228 K. It is a very thermally labile molecule that decomposes at room temperature by rupture of either of the CF3OC(O)O-O-OC(O)F bonds. These bonds are nonequivalent, and a branching ratio of 0.8 for fragmentation through the CF3OC(O)OO-OC(O)F bond was obtained. Unambiguous identification was possible through reaction of the trioxide with an excess of NO2. Potential-energy surfaces (PES) of the different rotamers were studied by the B3LYP/6-311+G* method, and analysis of the IR frequency of the possible mixture of rotamers agrees excellently with the experimental IR spectrum. This molecule is the first nonsymmetric acyl trioxide reported in the literature.
Palabras clave:
Fluorinated Compounds
,
Thermal Decompositions
Archivos asociados
Licencia
Identificadores
Colecciones
Articulos(CCT - CORDOBA)
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - CORDOBA
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - CORDOBA
Articulos(INFIQC)
Articulos de INST.DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA
Articulos de INST.DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA
Citación
Manetti, Martin Diego; Burgos Paci, Maximiliano Alberto; Argüello, Gustavo Alejandro; Trifluoromethyl fluoroformyl trioxicarbonate, CF3OC(O)OOOC(O)F: The first nonsymmetric acyl trioxide; American Chemical Society; Journal of Physical Chemistry A; 113; 30; 7-2009; 8523-8528
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