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@ARTICLE{Nehr:22452,
author = {Nehr, S. and Bohn, B. and Wahner, A.},
title = {{P}romt {HO}2 {F}ormation {F}ollowing the {R}eaction of
{OH} {A}romatic {C}ompounds under {A}tmospheric conditions},
journal = {The journal of physical chemistry / A},
volume = {116},
number = {24},
issn = {1089-5639},
address = {Washington, DC},
publisher = {Soc.},
reportid = {PreJuSER-22452},
pages = {6015 - 6026},
year = {2012},
note = {We thank M. Bachner, H. Fuchs, A. Hofzumahaus, F. Holland,
and S. Lou for useful discussions and technical support.
S.N. thanks the Deutsche Forschungsgemeinschaft for a Ph.D.
studentship under grant BO 1580/3-1.},
abstract = {The secondary formation of HO(2) radicals following OH +
aromatic hydrocarbon reactions in synthetic air under normal
pressure and temperature was investigated in the absence of
NO after pulsed production of OH radicals. OH and HO(x) (=OH
+ HO(2)) decay curves were recorded using laser-induced
fluorescence after gas-expansion. The prompt HO(2) yields
(HO(2) formed without preceding NO reactions) were
determined by comparison to results obtained with CO as a
reference compound. This approach was recently introduced
and applied to the OH + benzene reaction and was extended
here for a number of monocyclic aromatic hydrocarbons. The
measured HO(2) formation yields are as follows: toluene,
0.42 ± 0.11; ethylbenzene, 0.53 ± 0.10; o-xylene, 0.41 ±
0.08; m-xylene, 0.27 ± 0.06; p-xylene, 0.40 ± 0.09;
1,2,3-trimethylbenzene, 0.31 ± 0.06;
1,2,4-trimethylbenzene, 0.37 ± 0.09;
1,3,5-trimethylbenzene, 0.29 ± 0.08; hexamethylbenzene,
0.32 ± 0.08; phenol, 0.89 ± 0.29; o-cresol, 0.87 ± 0.29;
2,5-dimethylphenol, 0.72 ± 0.12; 2,4,6-trimethylphenol,
0.45 ± 0.13. For the alkylbenzenes HO(2) is the proposed
coproduct of phenols, epoxides, and possibly oxepins formed
in secondary reactions with O(2). In most product studies
the only quantified coproducts were phenols whereas only a
few studies reported yields of epoxides. Oxepins have not
been observed so far. Together with the yields of phenols
from other studies, the HO(2) yields determined in this work
set an upper limit to the combined yields of epoxides and
oxepins that was found to be significant (≤0.3) for all
investigated alkylbenzenes except m-xylene. For the
hydroxybenzenes the currently proposed HO(2) coproducts are
dihydroxybenzenes. For phenol and o-cresol the determined
HO(2) yields are matching the previously reported
dihydroxybenzene yields, indicating that these are the only
HO(2) forming reaction channels. For 2,5-dimethylphenol and
2,4,6-trimethylphenol no complementary product studies are
available.},
keywords = {J (WoSType)},
cin = {IEK-8},
ddc = {530},
cid = {I:(DE-Juel1)IEK-8-20101013},
pnm = {Atmosphäre und Klima},
pid = {G:(DE-Juel1)FUEK491},
shelfmark = {Chemistry, Physical / Physics, Atomic, Molecular $\&$
Chemical},
typ = {PUB:(DE-HGF)16},
pubmed = {pmid:22195640},
UT = {WOS:000305444100029},
doi = {10.1021/jp210946y},
url = {https://juser.fz-juelich.de/record/22452},
}