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@ARTICLE{Anderson:43389,
author = {Anderson, R. S. and Huang, L. and Iannone, R. and Thompson,
A. E. and Rudolph, J.},
title = {{C}arbon kinetic isotope effects in the gas-phase reactions
of light alkanes and ethene with the {OH} radical at 296 ±
4{K}},
journal = {The journal of physical chemistry / A},
volume = {108},
issn = {1089-5639},
address = {Washington, DC},
publisher = {Soc.},
reportid = {PreJuSER-43389},
pages = {11537 - 11544},
year = {2004},
note = {Record converted from VDB: 12.11.2012},
abstract = {The carbon kinetic isotope effects (KIEs) of the
room-temperature reactions of several light alkanes and
ethene with OH radicals were measured in a 30 L PTFE
reaction chamber at ambient pressure using gas
chromatography coupled with online combustion and isotope
ratio mass spectrometry (GCC-IRMS). For simplicity, KIEs are
reported in per mil according to epsilon (parts per
thousand) = (k(12)/k(13) - 1) x 1000. The following average
KIEs were obtained, (all in parts per thousand): ethane,
8.57 +/- 1.95; propane,. 5.46 +/- 0.35; n-butane, 5.16 +/-
0.67; methylpropane, 8.45 +/- 1.49; n-pentane, 2.85 +/-
0.79; methylbutane, 2.91 +/- 0.43; n-hexane, 2.20 +/- 0.07;
n-heptane, 1.96 +/- 0.26; n-octane, 2.13 +/- 0.39;
cyclopentane, 1.84 +/- 0.13; cyclohexane, 4.46 +/- 0.51;
methylcyclopentane, 1.77 +/- 0.53; ethene, 18.6 +/- 2.9. As
well, the room-temperature rate constant for the reaction of
methylcyclopentane + OH, not previously reported in the
literature, was determined using relative rates: (8.6 +/-
2.2) x 10(-12) cm(3) molecule(-1) s(-1), including the
estimated $25\%$ uncertainty in the rate constant for
cyclopentane + OH. KIE values for propane, n-butane and
n-hexane have been reported previously [J. Geophys. Res.
[Atmos.] 2000, 105, 29329]. Our KIE for n-hexane is in
agreement with the previous measurement, but our values for
propane and n-butane are both higher. The dependence between
the KIE and chemical structure is discussed, and a method
for estimating unknown carbon KIEs for the reactions of
light alkanes with OH radicals is presented. With only one
exception, predictions using this method agree within a
factor of 2 of the experimental KIE results.},
keywords = {J (WoSType)},
cin = {ICG-II},
ddc = {530},
cid = {I:(DE-Juel1)VDB48},
pnm = {Chemie und Dynamik der Geo-Biosphäre},
pid = {G:(DE-Juel1)FUEK257},
shelfmark = {Chemistry, Physical / Physics, Atomic, Molecular $\&$
Chemical},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000225924800009},
doi = {10.1021/jp0472008},
url = {https://juser.fz-juelich.de/record/43389},
}