Nitroarene products from the gas‐phase reactions of volatile polycyclic aromatic hydrocarbons with the OH radical and N2O5

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Abstract
The nitroarene products of the gas‐phase reactions of acenaphthylene, acenaphthene, phenanthrene, and anthracene‐d10 with N2O5 and the OH radical (in the presence of NOx) are reported. The calculated atmospheric lifetimes of these polycyclic aromatic hydrocarbons (PAH), as well as those of naphthalene, 1‐ and 2‐methylnaphthalene, biphenyl, fluoranthene, pyrene, and acephenanthrylene, show that reaction with the OH radical is the dominant loss process for these PAH, with the exception of acenaphthylene, acenaphthene, and acephenanthrylene which contain an external cyclopenta‐fused ring. For these latter PAH, reaction with the NO3 radical, and for acenaphthylene and acephenanthrylene reaction with O3, are also expected to be important atmospheric loss processes.The nitroarenes observed as products of the atmospherically‐important gas‐phase reactions of the PAH in environmental chamber studies are compared with the nitroarenes measured in ambient air samples collected in California. It is concluded that although nitroarenes are formed in low yields (≲5%) from the OH radical‐initiated reactions of the PAH, atmospheric formation of nitroarenes may contribute significantly to ambient nitroarene concentrations.

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