ArticleEnvironmental science & technology2026
Integrated Kinetic and Thermochemical Analysis of Aqueous-Phase Naphthalene Nitration and Its Contribution to Brown Carbon.
Article in Environmental science & technology, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Brown carbon (BrC) is a key light-absorbing component of atmospheric aerosols, yet its sources, particularly those driven by aqueous-phase chemistry, remain poorly constrained, leading to an underestimation of its contribution. Here, we demonstrate efficient nitration and hydroxylation of naphthalene under atmospheric aqueous-phase conditions in the presence of HONO and simulated sunlight, yielding two BrC-active products: 2-nitro-1-naphthol and 1-nitronaphthalene. Contrary to prevailing assumptions, 2-nitro-1-naphthol is the dominant product under atmospherically relevant conditions, whereas 1-nitronaphthalene forms only at elevated solute levels characteristic of aerosol liquid water. The OH-initiated nitration mechanism is elucidated by combining macroscopic kinetic modeling with DFT-based thermochemical calculations, revealing the catalytic role of HONO and the importance of aqueous-phase stabilization of key intermediates. By integrating degradation kinetics (
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