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@ARTICLE{Wu:894237,
      author       = {Wu, Rongrong and Vereecken, Luc and Tsiligiannis,
                      Epameinondas and Kang, Sungah and Albrecht, Sascha R. and
                      Hantschke, Luisa and Zhao, Defeng and Novelli, Anna and
                      Fuchs, Hendrik and Tillmann, Ralf and Hohaus, Thorsten and
                      Carlsson, Philip T. M. and Shenolikar, Justin and Bernard,
                      François and Crowley, John N. and Fry, Juliane L. and
                      Brownwood, Bellamy and Thornton, Joel A. and Brown, Steven
                      S. and Kiendler-Scharr, Astrid and Wahner, Andreas and
                      Hallquist, Mattias and Mentel, Thomas F.},
      title        = {{M}olecular composition and volatility of multi-generation
                      products formed from isoprene oxidation by nitrate radical},
      journal      = {Atmospheric chemistry and physics},
      volume       = {21},
      number       = {13},
      issn         = {1680-7324},
      address      = {Katlenburg-Lindau},
      publisher    = {EGU},
      reportid     = {FZJ-2021-03117},
      pages        = {10799 - 10824},
      year         = {2021},
      abstract     = {Isoprene oxidation by nitrate radical (NO3) is a
                      potentially important source of secondary organic aerosol
                      (SOA). It is suggested that the second or later-generation
                      products are the more substantial contributors to SOA.
                      However, there are few studies investigating the
                      multi-generation chemistry of isoprene-NO3 reaction, and
                      information about the volatility of different isoprene
                      nitrates, which is essential to evaluate their potential to
                      form SOA and determine their atmospheric fate, is rare. In
                      this work, we studied the reaction between isoprene and NO3
                      in the SAPHIR chamber (Jülich) under near-atmospheric
                      conditions. Various oxidation products were measured by a
                      high-resolution time-of-flight chemical ionization mass
                      spectrometer using Br− as the reagent ion. Most of the
                      products detected are organic nitrates, and they are grouped
                      into monomers (C4 and C5 products) and dimers (C10 products)
                      with 1–3 nitrate groups according to their chemical
                      composition. Most of the observed products match expected
                      termination products observed in previous studies, but some
                      compounds such as monomers and dimers with three nitrogen
                      atoms were rarely reported in the literature as gas-phase
                      products from isoprene oxidation by NO3. Possible formation
                      mechanisms for these compounds are proposed. The
                      multi-generation chemistry of isoprene and NO3 is
                      characterized by taking advantage of the time behavior of
                      different products. In addition, the vapor pressures of
                      diverse isoprene nitrates are calculated by different
                      parametrization methods. An estimation of the vapor pressure
                      is also derived from their condensation behavior. According
                      to our results, isoprene monomers belong to
                      intermediate-volatility or semi-volatile organic compounds
                      and thus have little effect on SOA formation. In contrast,
                      the dimers are expected to have low or extremely low
                      volatility, indicating that they are potentially substantial
                      contributors to SOA. However, the monomers constitute
                      $80 \%$ of the total explained signals on average, while
                      the dimers contribute less than $2 \%,$ suggesting that
                      the contribution of isoprene NO3 oxidation to SOA by
                      condensation should be low under atmospheric conditions. We
                      expect a SOA mass yield of about $5 \%$ from the
                      wall-loss- and dilution-corrected mass concentrations,
                      assuming that all of the isoprene dimers in the low- or
                      extremely low-volatility organic compound (LVOC or ELVOC)
                      range will condense completely.},
      cin          = {IEK-8},
      ddc          = {550},
      cid          = {I:(DE-Juel1)IEK-8-20101013},
      pnm          = {2111 - Air Quality (POF4-211)},
      pid          = {G:(DE-HGF)POF4-2111},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000674782200002},
      doi          = {10.5194/acp-21-10799-2021},
      url          = {https://juser.fz-juelich.de/record/894237},
}