000893415 001__ 893415
000893415 005__ 20240712100959.0
000893415 0247_ $$2doi$$a10.5194/acp-21-9681-2021
000893415 0247_ $$2ISSN$$a1680-7316
000893415 0247_ $$2ISSN$$a1680-7324
000893415 0247_ $$2Handle$$a2128/28009
000893415 0247_ $$2altmetric$$aaltmetric:108367980
000893415 0247_ $$2WOS$$aWOS:000668601000003
000893415 037__ $$aFZJ-2021-02739
000893415 082__ $$a550
000893415 1001_ $$0P:(DE-Juel1)136801$$aZhao, Defeng$$b0$$eCorresponding author
000893415 245__ $$aHighly oxygenated organic molecule (HOM) formation in the isoprene oxidation by NO<sub>3</sub> radical
000893415 260__ $$aKatlenburg-Lindau$$bEGU$$c2021
000893415 3367_ $$2DRIVER$$aarticle
000893415 3367_ $$2DataCite$$aOutput Types/Journal article
000893415 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1625215953_4883
000893415 3367_ $$2BibTeX$$aARTICLE
000893415 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000893415 3367_ $$00$$2EndNote$$aJournal Article
000893415 520__ $$aHighly oxygenated organic molecules (HOM) are found to play an important role in the formation and growth of secondary organic aerosol (SOA). SOA is an important type of aerosol with significant impact on air quality and climate. Compared with the oxidation of volatile organic compounds by ozone (O3) and hydroxyl radical (OH), HOM formation in the oxidation by nitrate radical (NO3), an important oxidant at nighttime and dawn, has received less attention. In this study, HOM formation in the reaction of isoprene with NO3 was investigated in the SAPHIR chamber (Simulation of Atmospheric PHotochemistry In a large Reaction chamber). A large number of HOM, including monomers (C5), dimers (C10), and trimers (C15), both closed-shell compounds and open-shell peroxy radicals (RO2), were identified and were classified into various series according to their formula. Their formation pathways were proposed based on the peroxy radicals observed and known mechanisms in the literature, which were further constrained by the time profiles of HOM after sequential isoprene addition to differentiate first- and second-generation products. HOM monomers containing one to three N atoms (1–3N-monomers) were formed, starting with NO3 addition to carbon double bond, forming peroxy radicals, followed by autoxidation. 1N-monomers were formed by both the direct reaction of NO3 with isoprene and of NO3 with first-generation products. 2N-monomers (e.g., C5H8N2On(n=7–13), C5H10N2On(n=8–14)) were likely the termination products of C5H9N2On•, which was formed by the addition of NO3 to C5-hydroxynitrate (C5H9NO4), a first-generation product containing one carbon double bond. 2N-monomers, which were second-generation products, dominated in monomers and accounted for ∼34 % of all HOM, indicating the important role of second-generation oxidation in HOM formation in the isoprene + NO3 reaction under our experimental conditions. H shift of alkoxy radicals to form peroxy radicals and subsequent autoxidation (“alkoxy–peroxy” pathway) was found to be an important pathway of HOM formation. HOM dimers were mostly formed by the accretion reaction of various HOM monomer RO2 and via the termination reactions of dimer RO2 formed by further reaction of closed-shell dimers with NO3 and possibly by the reaction of C5–RO2 with isoprene. HOM trimers were likely formed by the accretion reaction of dimer RO2 with monomer RO2. The concentrations of different HOM showed distinct time profiles during the reaction, which was linked to their formation pathway. HOM concentrations either showed a typical time profile of first-generation products, second-generation products, or a combination of both, indicating multiple formation pathways and/or multiple isomers. Total HOM molar yield was estimated to be 1.2 %+1.3%−0.7%, which corresponded to a SOA yield of ∼3.6 % assuming the molecular weight of C5H9NO6 as the lower limit. This yield suggests that HOM may contribute a significant fraction to SOA yield in the reaction of isoprene with NO3.
000893415 536__ $$0G:(DE-HGF)POF4-2111$$a2111 - Air Quality (POF4-211)$$cPOF4-211$$fPOF IV$$x0
000893415 588__ $$aDataset connected to CrossRef, Journals: juser.fz-juelich.de
000893415 7001_ $$0P:(DE-Juel1)156385$$aPullinen, Iida$$b1
000893415 7001_ $$0P:(DE-Juel1)7363$$aFuchs, Hendrik$$b2
000893415 7001_ $$0P:(DE-Juel1)129150$$aSchrade, Stephanie$$b3
000893415 7001_ $$0P:(DE-Juel1)173991$$aWu, Rongrong$$b4$$ufzj
000893415 7001_ $$0P:(DE-Juel1)136889$$aAcir, Ismail-Hakki$$b5
000893415 7001_ $$0P:(DE-Juel1)5344$$aTillmann, Ralf$$b6
000893415 7001_ $$0P:(DE-Juel1)16347$$aRohrer, Franz$$b7$$ufzj
000893415 7001_ $$0P:(DE-Juel1)129421$$aWildt, Jürgen$$b8
000893415 7001_ $$0P:(DE-HGF)0$$aGuo, Yindong$$b9
000893415 7001_ $$0P:(DE-Juel1)4528$$aKiendler-Scharr, Astrid$$b10
000893415 7001_ $$0P:(DE-Juel1)16324$$aWahner, Andreas$$b11
000893415 7001_ $$0P:(DE-Juel1)169671$$aKang, Sungah$$b12
000893415 7001_ $$0P:(DE-Juel1)167140$$aVereecken, Luc$$b13
000893415 7001_ $$0P:(DE-Juel1)16346$$aMentel, Thomas F.$$b14$$eCorresponding author
000893415 773__ $$0PERI:(DE-600)2069847-1$$a10.5194/acp-21-9681-2021$$gVol. 21, no. 12, p. 9681 - 9704$$n12$$p9681 - 9704$$tAtmospheric chemistry and physics$$v21$$x1680-7324$$y2021
000893415 8564_ $$uhttps://juser.fz-juelich.de/record/893415/files/zhao_ACP_2021ms.pdf$$yOpenAccess
000893415 8767_ $$8101523$$92021-07-08$$d2021-08-10$$eAPC$$jZahlung erfolgt$$zBelegnr. 1200170536
000893415 909CO $$ooai:juser.fz-juelich.de:893415$$pdnbdelivery$$popenCost$$pVDB$$pdriver$$pOpenAPC$$popen_access$$popenaire
000893415 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)7363$$aForschungszentrum Jülich$$b2$$kFZJ
000893415 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)173991$$aForschungszentrum Jülich$$b4$$kFZJ
000893415 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)5344$$aForschungszentrum Jülich$$b6$$kFZJ
000893415 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)16347$$aForschungszentrum Jülich$$b7$$kFZJ
000893415 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)4528$$aForschungszentrum Jülich$$b10$$kFZJ
000893415 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)16324$$aForschungszentrum Jülich$$b11$$kFZJ
000893415 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)169671$$aForschungszentrum Jülich$$b12$$kFZJ
000893415 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)167140$$aForschungszentrum Jülich$$b13$$kFZJ
000893415 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)16346$$aForschungszentrum Jülich$$b14$$kFZJ
000893415 9131_ $$0G:(DE-HGF)POF4-211$$1G:(DE-HGF)POF4-210$$2G:(DE-HGF)POF4-200$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF4-2111$$aDE-HGF$$bForschungsbereich Erde und Umwelt$$lErde im Wandel – Unsere Zukunft nachhaltig gestalten$$vDie Atmosphäre im globalen Wandel$$x0
000893415 9141_ $$y2021
000893415 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS$$d2021-02-02
000893415 915__ $$0StatID:(DE-HGF)0160$$2StatID$$aDBCoverage$$bEssential Science Indicators$$d2021-02-02
000893415 915__ $$0LIC:(DE-HGF)CCBY4$$2HGFVOC$$aCreative Commons Attribution CC BY 4.0
000893415 915__ $$0StatID:(DE-HGF)1150$$2StatID$$aDBCoverage$$bCurrent Contents - Physical, Chemical and Earth Sciences$$d2021-02-02
000893415 915__ $$0StatID:(DE-HGF)9905$$2StatID$$aIF >= 5$$bATMOS CHEM PHYS : 2019$$d2021-02-02
000893415 915__ $$0StatID:(DE-HGF)0501$$2StatID$$aDBCoverage$$bDOAJ Seal$$d2021-02-02
000893415 915__ $$0StatID:(DE-HGF)0500$$2StatID$$aDBCoverage$$bDOAJ$$d2021-02-02
000893415 915__ $$0StatID:(DE-HGF)0113$$2StatID$$aWoS$$bScience Citation Index Expanded$$d2021-02-02
000893415 915__ $$0StatID:(DE-HGF)0700$$2StatID$$aFees$$d2021-02-02
000893415 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection$$d2021-02-02
000893415 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000893415 915__ $$0StatID:(DE-HGF)0030$$2StatID$$aPeer Review$$bDOAJ : Peer review$$d2021-02-02
000893415 915__ $$0StatID:(DE-HGF)0561$$2StatID$$aArticle Processing Charges$$d2021-02-02
000893415 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bATMOS CHEM PHYS : 2019$$d2021-02-02
000893415 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline$$d2021-02-02
000893415 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bClarivate Analytics Master Journal List$$d2021-02-02
000893415 9201_ $$0I:(DE-Juel1)IEK-8-20101013$$kIEK-8$$lTroposphäre$$x0
000893415 9801_ $$aFullTexts
000893415 980__ $$ajournal
000893415 980__ $$aVDB
000893415 980__ $$aUNRESTRICTED
000893415 980__ $$aI:(DE-Juel1)IEK-8-20101013
000893415 980__ $$aAPC
000893415 981__ $$aI:(DE-Juel1)ICE-3-20101013