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1533635 
Journal Article 
Gas-phase reactivity study of (E)-3-pentenenitrile and 4-pentenenitrile towards OH radicals and Cl atoms at atmospheric pressure 
Colomer, JP; Blanco, MB; Penenory, AB; Barnes, Ian; Wiesen, P; Teruel, MA 
2012 
1 
Atmospheric Environment
ISSN: 1352-2310
EISSN: 1873-2844 
61 
597-604 
WOS:000311188000064 
The relative-rate technique has been used to obtain rates
coefficients for the reactions of (E)-3-pentenenitrile (CH3CH=CHCHCN) and 4-pentenenitrile
(CH2=CHCH2CH2CN) 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 cm(3) molecule(-1) s(-1)) were obtained: k
(1) (OH + CH3CH=CHCHCN) = (5.05 +/- 1.10) x 10(-11), k(2) (Cl + CH3CH=CHCHCN) = (2.60 +/- 0.26) x
10(-10), k(3) (OH + CH2=CHCH2CH2CN) = (2.90 +/- 0.64) x 10(-11) and k(4) (Cl + CH2=CHCH2CH2CN) =
(2.56 +/- 0.26) x 10(-10). 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 the k(OH)
and k(Cl) predicted from k VS E-HOMO correlations is presented. The atmospheric lifetimes at room
temperature of these compounds has been estimated using the rate coefficients determined in this
work. (C) 2012 Elsevier Ltd. All rights reserved. 
(E)-3-pentenenitrile; 4-Pentenenitrile; Rate coefficients; E-HOMO; Tropospheric chemistry