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Oxidation of HOSO˙ by O 2 ( 3 Σ g - ): a key reaction deciding the fate of HOSO˙ in the atmosphere.

Philips Kumar RaiSaptarshi SarkarBiman BandyopadhyayPradeep Kumar
Published in: Physical chemistry chemical physics : PCCP (2022)
In the present work, we have studied the oxidation of HOSO˙ by O 2 ( 3 Σ g - ) employing quantum chemical and kinetic calculations. The present work reveals that HOSO˙ + O 2 ( 3 Σ g - ) is a barrierless reaction which proceeds through a stable hydrogen-bonded complex. The estimated atmospheric lifetime of HOSO˙ in the presence of O 2 ( 3 Σ g - ) is found to be several orders of magnitude less compared to the other oxidation paths of HOSO˙, suggesting that the oxidation of HOSO˙ by O 2 ( 3 Σ g - ) might be the most dominant oxidation path of HOSO˙ in the atmosphere.
Keyphrases
  • hydrogen peroxide
  • electron transfer
  • visible light
  • molecular dynamics
  • nitric oxide
  • particulate matter
  • quantum dots