Isomer distributions of molecular weight 247 and 273 nitro-PAHs in ambient samples, NIST diesel SRM, and from radical-initiated chamber reactions

Zimmermann, Kathryn; Atkinson, Roger; Arey, Janet; Kojima, Yoshitaka; Inazu, Koji

doi:10.1016/j.atmosenv.2012.03.016

Cited by 27 publications

(70 citation statements)

References 25 publications

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“…In fact, this result is also consistent with observations reported in a recent study by Zimmermann et al's [12] in which they reported that the formations of 2-NFL and 2/4-NPY is significantly greater in the NO 3 reaction than in the N 2 O 5 /NO 3 reaction.…”

Section: Reactions Of Fl and Py With N 2 Osupporting

confidence: 82%

“…As a thermal equilibrium exists in the N 2 O 5 /NO 3 /NO 2 system, N 2 O 5 also possibly contributes to nitration products even though NO 3 exhibits higher reactivity [12]. Moreover, in experimental studies, it is difficult to completely distinguish between PAH reactions with NO 3 /NO 2 and those with N 2 O 5 .…”

Section: Introductionmentioning

confidence: 92%

“…The facile generation of RCs may also lead to the production of 7-/8-NFL and 4-NPY. In fact, low amounts of 4-NPY have been observed in the reactions of FL and PY in N 2 O 5 /NO 3 /NO 2 air mixtures [9,12].…”

Section: Reactions Of Fl and Py With No 3 Radicalsmentioning

confidence: 99%

“…In addition, the rate constants of the NO 3 -initiated reaction (in the order of 10 −17 cm 3 molecule −1 s −1 ) were considered to be close to those of the N 2 O 5 reaction. More recent studies [12,21] have also suggested that 2-NFL and 2-/4-NPY are generated from the gasphase NO 3 -initiated reactions of FL and PY, respectively. Hence, the experimental results of the products and kinetics of FL and PY in the reaction with N 2 O 5 /NO 3 /NO 2 , as well as the postulated reaction mechanisms of N 2 O 5 with PAHs, need to be further confirmed theoretically.…”

Section: Introductionmentioning

confidence: 99%

“…Over the past few decades, extensive experimental and theoretical studies have been performed on gas-phase reactions of FL and PY with N 2 O 5 /NO 3 /NO 2 [5,[9][10][11][12]. As a thermal equilibrium exists in the N 2 O 5 /NO 3 /NO 2 system, N 2 O 5 also possibly contributes to nitration products even though NO 3 exhibits higher reactivity [12].…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

Theoretical study on atmospheric reactions of fluoranthene and pyrene with N2O5/NO3/NO2

Wang

Yang

Shu

et al. 2015

Chemical Physics Letters

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a b s t r a c tIt is complex to assign the products obtained from the gas-phase reactions of PAHs with NO 3 /NO 2 and N 2 O 5 . For this purpose, theoretical calculations are performed. Results show that 2-nitrofluoranthene and 2-nitropyrene are the dominant products for reactions of fluoranthene and pyrene with NO 3 /NO 2 , while 3-nitrofluoranthene and 1-nitropyrene are the major nitration products of N 2 O 5 . S N 2 reaction mechanisms are elucidated and homolytic mechanisms are calculated for the first time. Rate constants for reactions of fluoranthene and pyrene with N 2 O 5 are deduced for the first time, which are 2.50 × 10 −27 and 2.16 × 10 −24 cm 3 molecule −1 s −1 , respectively at 298 K.

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Section: Reactions Of Fl and Py With N 2 Osupporting

confidence: 82%

Section: Introductionmentioning

confidence: 92%

Section: Reactions Of Fl and Py With No 3 Radicalsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Theoretical study on atmospheric reactions of fluoranthene and pyrene with N2O5/NO3/NO2

Wang

Yang

Shu

et al. 2015

Chemical Physics Letters

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Heterogeneous Oxidation Reactions at Organic Aerosol Surfaces

2020

Atmospheric Multiphase Chemistry

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Heterogeneous reaction of particle-associated triphenylene with NO3 radicals

Zhang

Shu

Liu

et al. 2013

Atmospheric Environment

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a b s t r a c tAlthough heterogeneous reactions of polycyclic aromatic hydrocarbons (PAHs) with atmospheric oxidants may be important loss processes for PAHs, our understanding of their kinetics and products is incomplete. The study of heterogeneous reaction of suspended triphenylene particles with NO 3 radicals is undertaken in a flow-tube-reactor. The time-of-flight mass spectra of particulate triphenylene and its nitration products are obtained with vacuum ultraviolet photoionization aerosol time-of-flight mass spectrometer. 1-and 2-nitrotriphenylene are identified by GCeMS analysis of the products formed from the reaction of NO 3 radicals with triphenylene coated on the inner bottom surface of a conical flask. 1-Nitrotriphenylene is formed in larger yield than 2-nitrotriphenylene. This phenomenon is different from what had been observed in previous studies of the gas-phase triphenylene nitration, showing that 2-nitrotriphenylene is the major nitration product. The experimental results may reveal the discrepancies between heterogeneous and homogeneous nitrations of triphenylene.

show abstract

Isomer distributions of molecular weight 247 and 273 nitro-PAHs in ambient samples, NIST diesel SRM, and from radical-initiated chamber reactions

Cited by 27 publications

References 25 publications

Theoretical study on atmospheric reactions of fluoranthene and pyrene with N2O5/NO3/NO2

Theoretical study on atmospheric reactions of fluoranthene and pyrene with N2O5/NO3/NO2

Heterogeneous Oxidation Reactions at Organic Aerosol Surfaces

Heterogeneous reaction of particle-associated triphenylene with NO3 radicals

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