2021
DOI: 10.1016/j.chemosphere.2021.130537
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Photochemical reactions between superoxide ions and 2,4,6-trichlorophenol in atmospheric aqueous environments

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Cited by 19 publications
(3 citation statements)
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“…The EPM of ANT and 9,10-ANTQ in Figure a,f shows that ANT has the highest electron density in its outer C–C double bonds and that the external rings in 9,10-ANTQ have a relatively higher electron density than the center ring. The higher electron density in the outer C–C double bonds in ANT is attributed to the migrating sextet. , Photochemical reactions with ozone, nitrite, and/or water provide an initial source of atmospheric ROS, e.g., O 2 , OH • , and O 2 •– , which can subsequently oxidize PAH and form more ROS. ,,,,,,, Due to the involvement of ROS reported in previous studies and the significance of Clar’s rule in predicting the reactivity of PAH, the photooxidation of ANT into 9,10-ANTQ can be explained by the proposed reaction schemes in Scheme . In these reactions, an ROS oxidizes ANT at the 9,10 position, which results in the formation of a second π-sextet.…”
Section: Resultsmentioning
confidence: 98%
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“…The EPM of ANT and 9,10-ANTQ in Figure a,f shows that ANT has the highest electron density in its outer C–C double bonds and that the external rings in 9,10-ANTQ have a relatively higher electron density than the center ring. The higher electron density in the outer C–C double bonds in ANT is attributed to the migrating sextet. , Photochemical reactions with ozone, nitrite, and/or water provide an initial source of atmospheric ROS, e.g., O 2 , OH • , and O 2 •– , which can subsequently oxidize PAH and form more ROS. ,,,,,,, Due to the involvement of ROS reported in previous studies and the significance of Clar’s rule in predicting the reactivity of PAH, the photooxidation of ANT into 9,10-ANTQ can be explained by the proposed reaction schemes in Scheme . In these reactions, an ROS oxidizes ANT at the 9,10 position, which results in the formation of a second π-sextet.…”
Section: Resultsmentioning
confidence: 98%
“…•− , which can subsequently oxidize PAH and form more ROS. 31,34,38,39,49,50,66,67 Due to the involvement of ROS reported in previous studies and the significance of Clar's rule in predicting the reactivity of PAH, the photooxidation of ANT into 9,10-ANTQ can be explained by the proposed reaction schemes in Scheme 1. In these reactions, an ROS oxidizes ANT at the 9,10 position, which results in the formation of a second π-sextet.…”
Section: Reactivity Of Ant and The Atmospheric Transformation Of Its ...mentioning
confidence: 96%
“…Its stable chlorine-carbon bond and the position of the chlorine atoms relative to the hydroxyl group may have a direct influence on its carcinogenicity, toxicity, structure, and persistence in the environment where it can damage the ecosystem ecology and threaten marine life if it is ejected into the sea, lake, or river [3]. Thus, the removal of TCP from the environment is a priority [4].…”
Section: Introductionmentioning
confidence: 99%