ArticleProceedings of the National Academy of Sciences of the United States of America2025
How a toxic pollutant avoids photodegradation: Relaxation pathways of UV-excited 2,4-dinitrophenol in aqueous solution.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2025. 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
Nitroaromatic compounds are pollutants emitted from biomass burning and fossil fuel combustion. They are a major component of brown carbon aerosols, affecting radiative forcing in the lower atmosphere. Among these species, 2,4-dinitrophenol (DNP) is toxic to both plants and animals and is resistant to photodegradation when dissolved in water, such as in aqueous atmospheric aerosols. To understand this environmental photostability of DNP, the photochemistry of near-UV excited DNP in aqueous solution is investigated using transient absorption spectroscopy and time-resolved infrared spectroscopy, seamlessly spanning fs - μs timescales to reveal the pathways following photoexcitation. Building upon our understanding of simpler nitroaromatic species, and using linear-response time-dependent density functional theory (LR-TDDFT) to provide a framework for the interpretation of the results, the complex photochemistry of this species is unraveled. The majority of DNP relaxes within the singlet manifold, via intersection seams between the S
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