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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},
}