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- W2956009185 abstract "Abstract The atmospheric role of photochemical processes involving NO 2 beyond its dissociation limit (398 nm) is controversial. Recent experiments have confirmed that excited NO 2 * beyond 420 nm reacts with water according to NO 2 * +H 2 O→HONO+OH. However, the estimated kinetic constant for this process in the gas phase is quite small ( k ≈10 −15 –3.4×10 −14 cm 3 molecule −1 s −1 ) suggesting minor atmospheric implications of the formed radicals. In this work, ab initio molecular dynamics simulations of NO 2 adsorbed at the air–water interface reveal that the OH production rate increases by about 2 orders of magnitude with respect to gas phase, attaining ozone reference values for NO 2 concentrations corresponding to slightly polluted rural areas. This finding substantiates the argument that chemistry on clouds can be an additional source of OH radicals in the troposphere and suggests directions for future laboratory experimental studies." @default.
- W2956009185 created "2019-07-12" @default.
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- W2956009185 date "2019-09-24" @default.
- W2956009185 modified "2023-10-14" @default.
- W2956009185 title "Theoretical Investigation of the Photoexcited NO<sub>2</sub>+H<sub>2</sub>O reaction at the Air–Water Interface and Its Atmospheric Implications" @default.
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- W2956009185 doi "https://doi.org/10.1002/chem.201902769" @default.
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