Products and mechanisms of the reactions of the nitrate radical (NO3) with isoprene, 1,3-butadiene and 2,3-dimethyl-1,3-butadiene in air

Skov, Henrik; Hjorth, J.; Lohse, Christian; Jensen, N. R.; Restelli, G.

doi:10.1016/0960-1686(92)90015-d

Cited by 82 publications

(103 citation statements)

References 25 publications

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“…4.4. . These products have been observed in previous studies (Jay and Stieglitz, 1989;Skov et al, 1992;Kwok et al, 1996;Berndt and Böge, 1997) and their formation from the isoprene-NO 3 reaction is relatively straightforward (Fig. 11).…”

Section: Offline Chemical Analysismentioning

confidence: 50%

“…In many studies, C 5 -nitrooxycarbonyl is identified as the major first-generation gas-phase reaction product (Jay and Stieglitz, 1989;Skov et al, 1992;Kwok et al, 1996;Berndt and Böge, 1997). Other compounds such as C 5 -hydroxynitrate, C 5 -nitrooxyhydroperoxide, and C 5 -hydroxycarbonyl have also been identified (Kwok et al, 1996); C 5 -hydroxynitrate has also been measured in ambient air with concentrations in the lower ppt range at a few ng m −3 (Werner et al, 1999).…”

Section: Introductionmentioning

confidence: 99%

“…The reaction proceeds by NO 3 addition to the C=C double bond, forming four possible nitrooxyalkyl radicals depending the position of the NO 3 attack. Previous studies suggest that NO 3 radicals predominantly attack isoprene in the 1-position, with a branching ratio (C 1 -position/C 4 -position) varying between 3.5 and 7.4 (Skov et al, 1992;Berndt and Boge, 1997;Suh et al, 2001). As mentioned before, the average branching ratio (5.5:1) is used in estimating the sensitivities of the compounds measured by CIMS.…”

Section: Offline Chemical Analysismentioning

confidence: 99%

“…The kinetics and gas-phase products of the isoprene-NO 3 reaction have been the subject of several laboratory and theoretical studies (Jay and Stieglitz, 1989;Barnes et al, 1990;Skov et al, 1992;Kwok et al, 1996;Berndt and Böge, 1997;Suh et al, 2001;Zhang et al, 2002;Fan et al, 2004). In many studies, C 5 -nitrooxycarbonyl is identified as the major first-generation gas-phase reaction product (Jay and Stieglitz, 1989;Skov et al, 1992;Kwok et al, 1996;Berndt and Böge, 1997).…”

Section: Introductionmentioning

confidence: 99%

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Secondary organic aerosol (SOA) formation from reaction of isoprene with nitrate radicals (NO<sub>3</sub>)

et al. 2008

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Abstract. Secondary organic aerosol (SOA) formation from the reaction of isoprene with nitrate radicals (NO 3 ) is investigated in the Caltech indoor chambers. Experiments are performed in the dark and under dry conditions (RH<10%) using N 2 O 5 as a source of NO 3 radicals. For an initial isoprene concentration of 18.4 to 101.6 ppb, the SOA yield (defined as the ratio of the mass of organic aerosol formed to the mass of parent hydrocarbon reacted) ranges from 4.3% to 23.8%. By examining the time evolutions of gas-phase intermediate products and aerosol volume in real time, we are able to constrain the chemistry that leads to the formation of lowvolatility products. Although the formation of ROOR from the reaction of two peroxy radicals (RO 2 ) has generally been considered as a minor channel, based on the gas-phase and aerosol-phase data it appears that RO 2 +RO 2 reaction (self reaction or cross-reaction) in the gas phase yielding ROOR products is a dominant SOA formation pathway. A wide array of organic nitrates and peroxides are identified in the aerosol formed and mechanisms for SOA formation are proposed. Using a uniform SOA yield of 10% (corresponding to M o ∼ =10 µg m −3 ), it is estimated that ∼2 to 3 Tg yr −1 of SOA results from isoprene+NO 3 . The extent to which the results from this study can be applied to conditions in the atmosphere depends on the fate of peroxy radicals in the nighttime troposphere.

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Section: Offline Chemical Analysismentioning

confidence: 50%

Section: Introductionmentioning

confidence: 99%

Section: Offline Chemical Analysismentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Secondary organic aerosol (SOA) formation from reaction of isoprene with nitrate radicals (NO<sub>3</sub>)

et al. 2008

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“…The PFBHA reaction product observed from the via hydrogen abstraction was benzaldehyde. Elucidation of the proposed reaction products for 2-butoxyethanol (listed in Table II) was facilitated by mass spectrometry of the derivatized reaction product coupled with plausible reaction mechanisms based on the previously published gas-phase reaction as described below [7,[23][24][25][26][27].…”

Section: And Reaction Products Using Pfbha and Ncimentioning

confidence: 99%

2–Butoxyethanol and benzyl alcohol reactions with the nitrate radical: Rate coefficients and gas‐phase products

Harrison

Wells

2012

Int J of Chemical Kinetics

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The bimolecular rate coefficients and were measured using the relative rate technique at (297 ± 3) K and 1 atmosphere total pressure. Values of (2.7 ± 0.7) and (4.0 ± 1.0) × 10 −15 cm 3 molecule −1 s −1 were observed for and ,respectively. In addition, the products of and gasphase reactions were investigated. Derivatizing agents O- (2,3,4,5,6-pentafluorobenzyl)hydroxylamine and N, O-bis (trimethylsilyl)trifluoroacetamide and gas chromatography mass spectrometry (GC/MS) were used to identify the reaction products. For reaction: hydroxyacetaldehyde, 3-hydroxypropanal, 4-hydroxybutanal, butoxyacetaldehyde, and 4-(2-oxoethoxy)butan-2-yl nitrate were the derivatized products observed. For the reaction: benzaldehyde ((C 6 H 5 )C(=O)H) was the only derivatized product observed. Negative chemical ionization was used to identify the following nitrate products: [(2-butoxyethoxy)(oxido)amino]oxidanide and benzyl nitrate, for and , respectively. The elucidation of these products was facilitated by mass spectrometry of the derivatized reaction products coupled with a plausible 2-butoxyethanol or reaction mechanisms based on previously published gas-phase mechanisms.

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Product formation from the reaction of the NO3 radical with isoprene and rate constants for the reactions of methacrolein and methyl vinyl ketone with the NO3 radical

Kwok

Aschmann

Arey

et al. 1996

Int. J. Chem. Kinet.

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Products and mechanisms of the reactions of the nitrate radical (NO3) with isoprene, 1,3-butadiene and 2,3-dimethyl-1,3-butadiene in air

Cited by 82 publications

References 25 publications

Secondary organic aerosol (SOA) formation from reaction of isoprene with nitrate radicals (NO<sub>3</sub>)

Secondary organic aerosol (SOA) formation from reaction of isoprene with nitrate radicals (NO<sub>3</sub>)

2–Butoxyethanol and benzyl alcohol reactions with the nitrate radical: Rate coefficients and gas‐phase products

Product formation from the reaction of the NO3 radical with isoprene and rate constants for the reactions of methacrolein and methyl vinyl ketone with the NO3 radical

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Products and mechanisms of the reactions of the nitrate radical (NO3) with isoprene, 1,3-butadiene and 2,3-dimethyl-1,3-butadiene in air

Cited by 82 publications

References 25 publications

Secondary organic aerosol (SOA) formation from reaction of isoprene with nitrate radicals (NO&lt;sub&gt;3&lt;/sub&gt;)

Secondary organic aerosol (SOA) formation from reaction of isoprene with nitrate radicals (NO&lt;sub&gt;3&lt;/sub&gt;)

2–Butoxyethanol and benzyl alcohol reactions with the nitrate radical: Rate coefficients and gas‐phase products

Product formation from the reaction of the NO3 radical with isoprene and rate constants for the reactions of methacrolein and methyl vinyl ketone with the NO3 radical

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Product

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Secondary organic aerosol (SOA) formation from reaction of isoprene with nitrate radicals (NO<sub>3</sub>)

Secondary organic aerosol (SOA) formation from reaction of isoprene with nitrate radicals (NO<sub>3</sub>)