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@INBOOK{Vereecken:866658,
      author       = {Vereecken, Luc},
      title        = {{R}eaction {M}echanisms for the {A}tmospheric {O}xidation
                      of {M}onocyclic {A}romatic {C}ompounds},
      address      = {Singapore},
      publisher    = {WORLD SCIENTIFIC},
      reportid     = {FZJ-2019-05737},
      pages        = {377-527},
      year         = {2019},
      comment      = {Advances in Atmospheric Chemistry / Barker, J R ; : WORLD
                      SCIENTIFIC, 2019, ; ISBN: 978-981-327-182-1 ;
                      doi:10.1142/11031},
      booktitle     = {Advances in Atmospheric Chemistry /
                       Barker, J R ; : WORLD SCIENTIFIC, 2019,
                       ; ISBN: 978-981-327-182-1 ;
                       doi:10.1142/11031},
      abstract     = {The atmospheric oxidation of aromatic compounds leads to
                      highly oxidized intermediates with oxygenation ratios O:C
                      nearing or exceeding unity, and contributes efficiently to
                      the formation of secondary organic aerosols and ozone. The
                      intermediates in the mechanism differ strongly from those in
                      aliphatic or unsaturated compounds oxidation, with
                      multifunctionalization showing cyclic peroxides, epoxides,
                      hydroperoxides, resonance-stabilized alkyl radicals, peroxy-
                      and alkoxy radicals, and other functionalities. The
                      multistep oxidation sequence is complex, with a highly
                      branched mechanism where the relative importance of the
                      competing reactions is highly site- and stereo-specific.
                      Several of the critical steps are reversible, leading to
                      kinetics, and product yields that depend on the reaction
                      conditions. In this chapter, the literature data on the
                      elementary reaction steps in this mechanism are summarized
                      and tabulated, based mostly on the available theoretical
                      work, with support from experimental studies. The influence
                      of substitution on the oxidation mechanism is discussed.
                      Significant progress was made in recent years to understand
                      the chemistry, with several novel reaction steps shown to be
                      of importance. At the same time, the quantification of the
                      reaction kinetics remains limited to information on a subset
                      of compounds, with no available structure–activity
                      relationships predicting substitution-, site-, and
                      stereo-specific rate coefficients.},
      cin          = {IEK-8},
      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)7},
      doi          = {10.1142/9789813271838_0006},
      url          = {https://juser.fz-juelich.de/record/866658},
}