Investigations on the gas-phase photolysis and OH radical kinetics of methyl-2-nitrophenols
文献信息
Ian Barnes, Romeo Olariu, Shouming Zhou, Peter Wiesen, Thorsten Benter
Methyl-2-nitrophenols can be emitted directly to the atmosphere or can be formed in situ via the oxidation of aromatic hydrocarbons. Nitrophenols possess phytotoxic properties and recent studies indicate their photooxidation is effective in producing secondary organic aerosols. Therefore, investigations on the major photooxidation pathways of these compounds with respect to assessing their environmental impacts and effects on human health are highly relevant. Presented here are determinations of the rate coefficients for the reactions of OH radicals with four methyl-2-nitrophenol isomers using a relative kinetic technique. The experiments were performed in a 1080 l photoreactor at (760 ± 10) Torr total pressure of synthetic air at (296 ± 3) K. The following rate coefficients (in units of cm3 molecule−1 s−1) have been obtained: 3-methyl-2-nitrophenol, (3.69 ± 0.70) × 10−12; 4-methyl-2-nitrophenol, (3.59 ± 1.17) × 10−12; 5-methyl-2-nitrophenol, (6.72 ± 2.14) × 10−12; 6-methyl-2-nitrophenol, (2.70 ± 0.57) × 10−12. Photolysis of the methyl-2-nitrophenols with the superactinic fluorescent lamps (320 < λ < 480 nm, λmax = 360 nm) used in the experiments was observed. Photolysis frequencies measured for the methyl-2-nitrophenols in the photoreactor have been determined and scaled to atmospheric conditions. The results suggest that photolysis rather than the reaction with OH radicals will be the dominant gas phase atmospheric loss process for methyl-2-nitrophenols.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














