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000015752 084__ $$2WoS$$aChemistry, Physical
000015752 084__ $$2WoS$$aPhysics, Atomic, Molecular & Chemical
000015752 1001_ $$0P:(DE-Juel1)7894$$aNehr, S.$$b0$$uFZJ
000015752 245__ $$aHO2 formation from the OH + benzene reaction in the presence of O2
000015752 260__ $$aCambridge$$bRSC Publ.$$c2011
000015752 300__ $$a10699-10708
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000015752 440_0 $$04916$$aPhysical Chemistry Chemical Physics$$v13$$x1463-9076$$y12
000015752 500__ $$3POF3_Assignment on 2016-02-29
000015752 500__ $$aThe authors thank F. Rohrer, F. Holland, S. Lou and M. Bachner for useful discussions and technical support. S. Nehr thanks the Deutsche Forschungsgemeinschaft for PhD studentship funding under grant BO 1580/3-1.
000015752 520__ $$aIn this study we investigated the secondary formation of HO(2) following the benzene + OH reaction in N(2) with variable O(2) content at atmospheric pressure and room temperature in the absence of NO. After pulsed formation of OH, HO(x) (= OH + HO(2)) and OH decay curves were measured by means of a laser-induced fluorescence technique (LIF). In synthetic air the total HO(2) yield was determined to be 0.69 ± 0.10 by comparison to results obtained with CO as a reference compound. HO(2) is expected to be a direct product of the reaction of the intermediately formed OH-benzene adduct with O(2). The HO(2) yield is slightly greater than the currently recommended yield of the proposed HO(2) co-product phenol (∼53%). This hints towards other, minor HO(2) forming channels in the absence of NO, e.g. the formation of epoxide species that was proposed in the literature. For other test compounds upper limits of HO(2) yields of 0.10 (isoprene) and 0.05 (cyclohexane) were obtained, respectively. In further experiments at low O(2) concentrations (0.06-0.14% in N(2)) rate constants of (2.4 ± 1.1) × 10(-16) cm(3) s(-1) and (5.6 ± 1.1) × 10(-12) cm(3) s(-1) were estimated for the OH-benzene adduct reactions with O(2) and O(3), respectively. The rate constant of the unimolecular dissociation of the adduct back to benzene + OH was determined to be (3.9 ± 1.3) s(-1). The HO(2) yield at low O(2) was similar to that found in synthetic air, independent of O(2) and O(3) concentrations indicating comparable HO(2) yields for the adduct + O(2) and adduct + O(3) reactions.
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000015752 7001_ $$0P:(DE-Juel1)2693$$aBohn, B.$$b1$$uFZJ
000015752 7001_ $$0P:(DE-Juel1)7363$$aFuchs, H.$$b2$$uFZJ
000015752 7001_ $$0P:(DE-Juel1)16326$$aHofzumahaus, A.$$b3$$uFZJ
000015752 7001_ $$0P:(DE-Juel1)16324$$aWahner, A.$$b4$$uFZJ
000015752 773__ $$0PERI:(DE-600)1476244-4$$a10.1039/c1cp20334g$$gVol. 13, p. 10699-10708$$p10699-10708$$q13<10699-10708$$tPhysical Chemistry Chemical Physics$$v13$$x1463-9076$$y2011
000015752 8567_ $$uhttp://dx.doi.org/10.1039/C1CP20334G
000015752 8564_ $$uhttps://juser.fz-juelich.de/record/15752/files/FZJ-15752.pdf$$yPublished under German "Allianz" Licensing conditions on 2011-05-04. Available in OpenAccess from 2012-05-04$$zPublished final document.
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