INFIQC   05475
INSTITUTO DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA
Unidad Ejecutora - UE
artículos
Título:
Gas-phase reactivity study of (E)-3-pentenenitrile and 4-pentenenitrile towards OH radicals and Cl atoms at atmospheric pressure
Autor/es:
JUAN P. COLOMER, MARÍA B. BLANCO, ALICIA B. PEÑÉÑORY, IAN BARNES, PETER WIESEN, MARIANO A. TERUEL
Revista:
ATMOSPHERIC ENVIRONMENT
Editorial:
PERGAMON-ELSEVIER SCIENCE LTD
Referencias:
Lugar: Amsterdam; Año: 2012 vol. 61 p. 597 - 604
ISSN:
1352-2310
Resumen:
The relative-rate technique has been used to obtain rates coefficients for the reactions of (E)-3-
pentenenitrile (CH3CHaCHCHCN) and 4-pentenenitrile (CH2aCHCH2CH2CN) with OH radicals and Cl
atoms at 298 K and (760 10) Torr total pressure of synthetic air using different reference compounds.
The experiments were performed in an environmental chamber with ?in situ? FTIR spectroscopy to
monitor the reactants concentrations. The following room temperature rate coefficients (in cm3 moleculeficients for the reactions of (E)-3-
pentenenitrile (CH3CHaCHCHCN) and 4-pentenenitrile (CH2aCHCH2CH2CN) with OH radicals and Cl
atoms at 298 K and (760 10) Torr total pressure of synthetic air using different reference compounds.
The experiments were performed in an environmental chamber with ?in situ? FTIR spectroscopy to
monitor the reactants concentrations. The following room temperature rate coefficients (in cm3 molecule3CHaCHCHCN) and 4-pentenenitrile (CH2aCHCH2CH2CN) with OH radicals and Cl
atoms at 298 K and (760 10) Torr total pressure of synthetic air using different reference compounds.
The experiments were performed in an environmental chamber with ?in situ? FTIR spectroscopy to
monitor the reactants concentrations. The following room temperature rate coefficients (in cm3 molecule 10) Torr total pressure of synthetic air using different reference compounds.
The experiments were performed in an environmental chamber with ?in situ? FTIR spectroscopy to
monitor the reactants concentrations. The following room temperature rate coefficients (in cm3 molecule?in situ? FTIR spectroscopy to
monitor the reactants concentrations. The following room temperature rate coefficients (in cm3 moleculeficients (in cm3 molecule
1 s1) were obtained: k1 (OH þ CH3CHaCHCHCN) ¼ (5.05 1.10) 1011, k21 s1) were obtained: k1 (OH þ CH3CHaCHCHCN) ¼ (5.05 1.10) 1011, k2
(Cl þ CH3CHaCHCHCN) ¼ (2.60 0.26) 1010, k3 (OH þ CH2aCHCH2CH2CN) ¼ (2.90 0.64) 1011þ CH3CHaCHCHCN) ¼ (2.60 0.26) 1010, k3 (OH þ CH2aCHCH2CH2CN) ¼ (2.90 0.64) 1011
and k4 (Cl þ CH2aCHCH2CH2CN) ¼ (2.56 0.26) 1010. This is the first kinetic study for all of these
reactions. The effect of atom or group substituent on the overall rate coefficients is analyzed and the
reactivity of nitriles is compared with those of other unsaturated compounds in the literature. In
addition, a comparison between the experimentally determined rate coefficients from this work and thek4 (Cl þ CH2aCHCH2CH2CN) ¼ (2.56 0.26) 1010. This is the first kinetic study for all of these
reactions. The effect of atom or group substituent on the overall rate coefficients is analyzed and the
reactivity of nitriles is compared with those of other unsaturated compounds in the literature. In
addition, a comparison between the experimentally determined rate coefficients from this work and theficients is analyzed and the
reactivity of nitriles is compared with those of other unsaturated compounds in the literature. In
addition, a comparison between the experimentally determined rate coefficients from this work and theficients from this work and the
kOH and kCl predicted from k vs EHOMO correlations is presented.
The atmospheric lifetimes at room temperature of these compounds has been estimated using the rate
coefficients determined in this work.OH and kCl predicted from k vs EHOMO correlations is presented.
The atmospheric lifetimes at room temperature of these compounds has been estimated using the rate
coefficients determined in this work.ficients determined in this work.