% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{Piansawan:836108,
      author       = {Piansawan, T. and Saccon, M. and Vereecken, L. and Gensch,
                      I. and Kiendler-Scharr, A.},
      title        = {{T}emperature dependence of stable carbon kinetic isotope
                      effect for the oxidation reaction of ethane by {OH}
                      radicals: experimental and theoretical studies},
      journal      = {Journal of geophysical research / Atmospheres},
      volume       = {122},
      number       = {15},
      issn         = {2169-897X},
      address      = {Hoboken, NJ},
      publisher    = {Wiley},
      reportid     = {FZJ-2017-05232},
      pages        = {8310-8324},
      year         = {2017},
      abstract     = {The stable carbon kinetic isotope effect (KIE) of ethane
                      photooxidation by OH radicals was deduced by employing both
                      laboratory measurements and theoretical calculations. The
                      investigations were designed to elucidate the temperature
                      dependence of KIE within atmospherically relevant
                      temperature range. The experimental KIE was derived from
                      laboratory compound-specific isotope analyses of ethane with
                      natural isotopic abundance exposed to OH at constant
                      temperature, showing ε values of 7.16 ± 0.54‰ (303 K),
                      7.45 ± 0.48‰ (288 K), 7.36 ± 0.28‰ (273 K), 7.61 ±
                      0.28‰ (263 K), 8.89 ± 0.90‰ (253 K), and 9.42 ±
                      2.19‰ (243 K). Compared to previous studies, a significant
                      improvement of the measurement precision was reached at the
                      high end of the investigated temperature range. The KIE was
                      theoretically determined as well, in the temperature range
                      of 150 K to 400 K, by calculating the reaction rate
                      coefficients of 12C and singly 13C substituted ethane
                      isotopologues applying chemical quantum mechanics together
                      with transition state theory. Tunneling effect and internal
                      rotations were also considered. The agreement between
                      experimental and theoretical results for rate coefficients
                      and KIE in an atmospherically relevant temperature range is
                      discussed. However, both laboratory observations and
                      computational predictions show no significant temperature
                      dependence of the KIE for the ethane oxidation by OH
                      radicals.},
      cin          = {IEK-8},
      ddc          = {550},
      cid          = {I:(DE-Juel1)IEK-8-20101013},
      pnm          = {243 - Tropospheric trace substances and their
                      transformation processes (POF3-243)},
      pid          = {G:(DE-HGF)POF3-243},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000408349500036},
      doi          = {10.1002/2017JD026950},
      url          = {https://juser.fz-juelich.de/record/836108},
}