Impact of a single water molecule on the atmospheric oxidation of thiophene by hydroperoxyl radical.

ABSTRACT: Water as an important assistant can alter the reactivity of atmospheric species. This project is designed to investigate the impact of a single water molecule on the atmospheric reactions of aromatic compounds that have not been attended to comprehensively. In the first part, the atmospheric oxidation mechanisms of thiophene initiated by hydroperoxyl radical through a multiwell-multichannel potential energy surface were studied to have useful information about the chemistry of the considered reaction. It was verified that for the thiophene plus HO₂ reaction, the addition mechanism is dominant the same as other aromatic compounds. Due to the importance of the subject and the presence of water molecules in the atmosphere with a high concentration that we know as relative humidity,

SUBMITTER: Douroudgari H 

PROVIDER: S-EPMC9643398 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature