Articles | Volume 22, issue 4
https://doi.org/10.5194/acp-22-2203-2022
https://doi.org/10.5194/acp-22-2203-2022
Research article
 | 
17 Feb 2022
Research article |  | 17 Feb 2022

Investigations into the gas-phase photolysis and OH radical kinetics of nitrocatechols: implications of intramolecular interactions on their atmospheric behaviour

Claudiu Roman, Cecilia Arsene, Iustinian Gabriel Bejan, and Romeo Iulian Olariu

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Cited articles

Alif, A., Pilichowski, J. F., and Boule, P.: Photochemistry and environment XIII: Phototransformation of 2-nitrophenol in aqueous solution, J. Photochem. Photobiol. A Chem., 59, 209–219, https://doi.org/10.1016/1010-6030(91)87009-K, 1991. 
Aschmann, S. M., Arey, J., and Atkinson, R.: Rate constants for the reactions of OH radicals with 1,2,4,5-tetramethylbenzene, pentamethylbenzene, 2,4,5-trimethylbenzaldehyde, 2,4,5-trimethylphenol, and 3-methyl-3-hexene-2,5-dione and products of OH + 1,2,4,5-tetramethylbenzene, J. Phys. Chem., 117, 2556–2568, https://doi.org/10.1021/jp8074018, 2013. 
Atkinson, R.: Kinetics and mechanisms of the gas-phase reactions of the hydroxyl radical with organic compounds, J. Phys. Chem. Ref. Data, 1, 1–246, 1989. 
Atkinson, R. and Aschmann, S. M.: Products of the gas-phase reactions of aromatic hydrocarbons: Effect of NO2 concentration, Int. J. Chem. Kinet., 26, 929–944, https://doi.org/10.1002/kin.550260907, 1994. 
Atkinson, R., Aschmann, S. M., Arey, J., Barbara, Z., and Schuetzle, D.: Gas-phase atmospheric chemistry of 1- and 2-nitronaphthalene and 1,4-naphthoquinone, Atmos. Environ., 23, 2679–2690, https://doi.org/10.1016/0004-6981(89)90548-9, 1989. 
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Gas-phase reaction rate coefficients of OH radicals with four nitrocatechols have been investigated for the first time by using ESC-Q-UAIC chamber facilities. The reactivity of all investigated nitrocatechols is influenced by the formation of the intramolecular H-bonds that are connected to the deactivating electromeric effect of the NO2 group. For the 3-nitrocatechol compounds, the electromeric effect of the free OH group is diminished by the deactivating E-effect of the NO2 group.
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