First oxidation products from the reaction of hydroxyl radicals with isoprene for pristine environmental conditions

dc.bibliographicCitation.firstPage21eng
dc.bibliographicCitation.issue1eng
dc.bibliographicCitation.volume2eng
dc.contributor.authorBerndt, Torsten
dc.contributor.authorHyttinen, Noora
dc.contributor.authorHerrmann, Hartmut
dc.contributor.authorHansel, Armin
dc.date.accessioned2021-09-17T06:28:49Z
dc.date.available2021-09-17T06:28:49Z
dc.date.issued2019
dc.description.abstractIsoprene, C5H8, inserts about half of the non-methane carbon flux of biogenic origin into the atmosphere. Its degradation is primarily initiated by the reaction with hydroxyl radicals. Here we show experimentally the formation of reactive intermediates and corresponding closed-shell products from the reaction of hydroxyl radicals with isoprene for low nitric oxide and low hydroperoxy radical conditions. Detailed product analysis is achieved by mass spectrometric techniques. Quantum chemical calculations support the usefulness of applied ionization schemes. Observed peroxy radicals are the isomeric HO-C5H8O2 radicals and their isomerization products HO-C5H8(O2)O2, bearing most likely an additional hydroperoxy group, and in traces HO-C5H8(O2)2O2 with two hydroperoxy groups. Main closed-shell products from unimolecular peroxy radical reactions are hydroperoxy aldehydes, C5H8O3, and smaller yield products with the composition C5H8O4 and C4H8O5. Detected signals of C10H18O4, C10H18O6, and C5H10O2 stand for products arising from peroxy radical self- and cross-reactions. © 2019, The Author(s).eng
dc.description.versionpublishedVersioneng
dc.identifier.urihttps://oa.tib.eu/renate/handle/123456789/6843
dc.identifier.urihttps://doi.org/10.34657/5890
dc.language.isoengeng
dc.publisher[London] : Macmillan Publishers Limited, part of Springer Natureeng
dc.relation.doihttps://doi.org/10.1038/s42004-019-0120-9
dc.relation.essn2399-3669
dc.relation.ispartofseriesCommunications chemistry 2 (2019), Nr. 1eng
dc.rights.licenseCC BY 4.0 Unportedeng
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/eng
dc.subjectnon-methane carbon fluxeng
dc.subjectionization schemeeng
dc.subjectcomputational methodseng
dc.subject.ddc540eng
dc.titleFirst oxidation products from the reaction of hydroxyl radicals with isoprene for pristine environmental conditionseng
dc.typearticleeng
dc.typeTexteng
dcterms.bibliographicCitation.journalTitleCommunications chemistryeng
tib.accessRightsopenAccesseng
wgl.contributorTROPOSeng
wgl.subjectChemieeng
wgl.typeZeitschriftenartikeleng
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