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@ARTICLE{Gensch:16945,
      author       = {Gensch, I. and Laumer, W. and Stein, O. and Kammer, B. and
                      Hohaus, T. and Saathoff, H. and Wegener, R. and Wahner, A.
                      and Kiendler-Scharr, A.},
      title        = {{T}emperature dependence of the kinetic isotope effect in
                      ß-pinene ozonolysis},
      journal      = {Journal of Geophysical Research},
      volume       = {116},
      issn         = {0148-0227},
      address      = {Washington, DC},
      publisher    = {Union},
      reportid     = {PreJuSER-16945},
      pages        = {D20301},
      year         = {2011},
      note         = {We thank Jochen Rudolph (York University, Toronto) for
                      fruitful discussions and valuable suggestions. We also
                      gratefully acknowledge the AIDA scientific team for constant
                      advice and assistance during the measurement campaign. This
                      work was supported by the EU within the EUROCHAMP project.
                      We thank Angelika Heil for providing us with IGBP Moderate
                      resolution Imaging Spectroradiometer (MODIS) Land Cover
                      data.},
      abstract     = {The temperature dependence of the kinetic isotope effect
                      (KIE) of beta-pinene ozonolysis was investigated
                      experimentally at 258, 273 and 303 K in the AIDA atmospheric
                      simulation chamber. Compound specific carbon isotopic
                      analysis of gas phase samples was performed off-line with a
                      Thermo Desorption-Gas Chromatography-Isotope Ratio Mass
                      Spectrometry (TD-GC-IRMS) system. From the temporal behavior
                      of the delta C-13 of beta-pinene a KIE of 1.00358 +/-
                      0.00013 was derived at 303 K, in agreement with literature
                      data. Furthermore, KIE values of 1.00380 +/- 0.00014 at 273
                      K and 1.00539 +/- 0.00012 at 258 K were determined, showing
                      an increasing KIE with decreasing temperature. A
                      parameterization of the observed KIE temperature dependence
                      was deduced and used in a sensitivity study carried out with
                      the global chemistry transport model MOZART-3. Two scenarios
                      were compared, the first neglecting, the second implementing
                      the KIE temperature dependence in the simulations.
                      beta-Pinene stable carbon isotope ratio and concentration
                      were computed, with emphasis on boreal zones. For early
                      spring it is shown that when neglecting the temperature
                      dependence of KIE, the calculated average age of beta-pinene
                      in the atmosphere can be up to two times over-or
                      underestimated. The evolution of the isotopic composition of
                      the major beta-pinene oxidation product, nopinone, was
                      examined using Master Chemical Mechanism (MCM) simulations.
                      The tested hypothesis that formation of nopinone and its
                      associated KIE are the determining factors for the observed
                      delta C-13 values of nopinone is supported at high
                      beta-pinene conversion levels.},
      keywords     = {J (WoSType)},
      cin          = {IEK-8},
      ddc          = {550},
      cid          = {I:(DE-Juel1)IEK-8-20101013},
      pnm          = {Atmosphäre und Klima},
      pid          = {G:(DE-Juel1)FUEK491},
      shelfmark    = {Meteorology $\&$ Atmospheric Sciences},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000296159800008},
      doi          = {10.1029/2011JD016084},
      url          = {https://juser.fz-juelich.de/record/16945},
}