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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},
}