INFIQC   05475
INSTITUTO DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA
Unidad Ejecutora - UE
artículos
Título:
FTIR gas-phase kinetic study of the reactions of Cl atoms with (CH3)2C=CHC(O)H and CH3CH=CHC(O)OCH3
Autor/es:
M. B .BLANCO, I. BARNES AND M.A. TERUEL
Revista:
CHEMICAL PHYSICS LETTERS
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Año: 2010 vol. 488 p. 135 - 139
ISSN:
0009-2614
Resumen:
Rate coefficients for the gas-phase reactions of Cl atoms with (CH3)2C=CHC(O)H and CH3CH=CHC(O)OCH3 were determined to be (in units of 10-10 cm3 molecule-1 s-1 ): 2.48 ± 0.71 and 2.04 ± 0.56, respectively. The experiments were performed by the relative technique in an environmental chamber with FTIR detection of the reactants at 298 K and 760 Torr. Structure activity relationships were developed for the reactions of Cl with a series of unsaturated esters and aldehydes. In addition, a comparison between the experimentally determined kCl with kCl predicted from k vs. HOMO correlations is presented. The atmospheric persistence of these compounds was calculated taking into account the measured rate coefficients. The atmospheric persistence of these compounds was calculated taking into account the measured rate coefficients. 2.04 ± 0.56, respectively. The experiments were performed by the relative technique in an environmental chamber with FTIR detection of the reactants at 298 K and 760 Torr. Structure activity relationships were developed for the reactions of Cl with a series of unsaturated esters and aldehydes. In addition, a comparison between the experimentally determined kCl with kCl predicted from k vs. HOMO correlations is presented. The atmospheric persistence of these compounds was calculated taking into account the measured rate coefficients. The atmospheric persistence of these compounds was calculated taking into account the measured rate coefficients. CH3CH=CHC(O)OCH3 were determined to be (in units of 10-10 cm3 molecule-1 s-1 ): 2.48 ± 0.71 and 2.04 ± 0.56, respectively. The experiments were performed by the relative technique in an environmental chamber with FTIR detection of the reactants at 298 K and 760 Torr. Structure activity relationships were developed for the reactions of Cl with a series of unsaturated esters and aldehydes. In addition, a comparison between the experimentally determined kCl with kCl predicted from k vs. HOMO correlations is presented. The atmospheric persistence of these compounds was calculated taking into account the measured rate coefficients. The atmospheric persistence of these compounds was calculated taking into account the measured rate coefficients. 2.04 ± 0.56, respectively. The experiments were performed by the relative technique in an environmental chamber with FTIR detection of the reactants at 298 K and 760 Torr. Structure activity relationships were developed for the reactions of Cl with a series of unsaturated esters and aldehydes. In addition, a comparison between the experimentally determined kCl with kCl predicted from k vs. HOMO correlations is presented. The atmospheric persistence of these compounds was calculated taking into account the measured rate coefficients. The atmospheric persistence of these compounds was calculated taking into account the measured rate coefficients.