Reactions of NO3‐naphthalene adducts with O2 and NO2

Atkinson, Roger; Tuazon, Ernesto C.; Bridier, Isabelle; Arey, Janet

doi:10.1002/kin.550260603

Cited by 35 publications

(39 citation statements)

References 14 publications

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“…Recent kinetic (93) and product (94) studies show that the hydroxycyclohexadienyl radicals formed from OH radical addition to benzene, toluene, and the xylenes react with both 02 and NO2, with the 02 reaction dominating under tropospheric conditions. However, Atkinson et al (95) have shown that the rate constant for reaction of the NO3-naphthalene adduct, formed by addition of the NO3 radical to naphthalene, with NO2 is >2.5 x 106 higher than that for reaction of the adduct with 02 at 298 K. The ratio of the rate constants for the corresponding reactions of NO2 and 02 with the OH-naphthalene adduct may be expected to be similar to those for the NO3-naphthalene adduct. The NO2 reactions with the OH-naphthalene and NO3-naphthalene adducts may then dominate in urban and rural air masses (95).…”

Section: Contribution Of Pah Transformation Products To Ambient Direcmentioning

confidence: 96%

Atmospheric Chemistry of Gas-Phase Polycyclic Aromatic Hydrocarbons: Formation of Atmospheric Mutagens

Atkinson¹,

Arey²

1994

Environmental Health Perspectives

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129

150

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The atmospheric chemistry of the 2-to 4-ring polycyclic aromatic hydrocarbons (PAH), which exist mainly in the gas phase in the atmosphere, is discussed. The dominant loss process for the gas-phase PAH is by reaction with the hydroxyl radical, resulting in calculated lifetimes in the atmosphere of generally less than one day. The hydroxyl (OH) radical-initiated reactions and nitrate (NO3) radical-initiated reactions often lead to the formation of mutagenic nitro-PAH and other nitropolycyclic aromatic compounds, including nitrodibenzopyranones. These atmospheric reactions have a significant effect on ambient mutagenic activity, indicating that health risk assessments of combustion emissions should include atmospheric transformation products. -Environ Health Perspect 102(Suppl 4): 117-126 (1994).

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Section: Contribution Of Pah Transformation Products To Ambient Direcmentioning

confidence: 96%

Atmospheric Chemistry of Gas-Phase Polycyclic Aromatic Hydrocarbons: Formation of Atmospheric Mutagens

Atkinson¹,

Arey²

1994

Environmental Health Perspectives

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129

150

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“…The reaction proceeds via initial addition of NO 3 to the aromatic ring to form a nitratocyclohexadienyl-type radical (6a) (the PAH-NO 3 adduct), which, similarly to the PAH-OH adduct can decompose back to reactants (6b), reacts with NO 2 (6c) or O 2 (6d) to form products 135,151,210 or can undergo unimolecular decomposition (6e) that would lead to the formation of hydroxy-PAH products and further reaction to form nitro-hydroxy-PAHs. 213 NO 3 radicals can also interact with the substituent groups of compounds such as Ace, Acy and M-Nap 210,214 (Scheme 7). For Ace, this involves H-atom abstraction from the C-H bond of the cyclopenta-fused ring and the formation of HNO 3 .…”

Section: Gas Phase Reactions Of Pahs With No 3 Radicalsmentioning

confidence: 99%

“…Assuming, as indicated by experimental data, 162,203,210,[212][213][214][215] under conditions used in reaction studies and in the ambient troposphere:…”

Section: Gas Phase Reactions Of Pahs With No 3 Radicalsmentioning

confidence: 99%

Chemical reactivity and long-range transport potential of polycyclic aromatic hydrocarbons – a review

2013

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Polycyclic aromatic hydrocarbons (PAHs) are of considerable concern due to their well-recognised toxicity and especially due to the carcinogenic hazard which they present. PAHs are semi-volatile and therefore partition between vapour and condensed phases in the atmosphere and both the vapour and particulate forms undergo chemical reactions. This article briefly reviews the current understanding of vapour-particle partitioning of PAHs and the PAH deposition processes, and in greater detail, their chemical reactions. PAHs are reactive towards a number of atmospheric oxidants, most notably the hydroxyl radical, ozone, the nitrate radical (NO3) and nitrogen dioxide. Rate coefficient data are reviewed for reactions of lower molecular weight PAH vapour with these species as well as for heterogeneous reactions of higher molecular weight compounds. Whereas the data for reactions of the 2-3-ring PAH vapour are quite extensive and generally consistent, such data are mostly lacking for the 4-ring PAHs and the heterogeneous rate data (5 and more rings), which are dependent on the substrate type and reaction conditions, are less comprehensive. The atmospheric reactions of PAH lead to the formation of oxy and nitro derivatives, reviewed here, too. Finally, the capacity of PAHs for long range transport and the results of numerical model studies are described. Research needs are identified.

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“…It has been known that nitro-PAC formation proceeds by the reaction of PAHs with nitrogen oxides (NO x ) during combustion processes [20][21][22]. Also, the occurrence of PAH nitration products is a common phenomenon as a result of nitrate radical initiated reactions of PAHs [23][24][25][26]. Some inorganic ions such as Cl − , HSO 4 − , and species like NO 2 − , NO 3 − having their origin from nitrogenous compounds are also observed.…”

Section: Negative Ionmentioning

confidence: 95%