Oxidation of HOSO˙ by O2 (3Σg−): a key reaction deciding the fate of HOSO˙ in the atmosphere

Philips Kumar Rai; Saptarshi Sarkar; Biman Bandyopadhyay; Pradeep Kumar

doi:10.1039/D2CP00001F

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Oxidation of HOSO˙ by O₂ (³Σ_g⁻): a key reaction deciding the fate of HOSO˙ in the atmosphere†

Philips Kumar Rai,^a Saptarshi Sarkar,^a Biman Bandyopadhyay

*^a and Pradeep Kumar

*^a

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* Corresponding authors

^a Department of Chemistry, Malaviya National Institute of Technology Jaipur, Jaipur, India
E-mail: biman.chy@mnit.ac.in, pradeep.chy@mnit.ac.in

Abstract

In the present work, we have studied the oxidation of HOSO˙ by O₂ (³Σ_g⁻) employing quantum chemical and kinetic calculations. The present work reveals that HOSO˙ + O₂ (³Σ_g⁻) is a barrierless reaction which proceeds through a stable hydrogen-bonded complex. The estimated atmospheric lifetime of HOSO˙ in the presence of O₂ (³Σ_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 O₂ (³Σ_g⁻) might be the most dominant oxidation path of HOSO˙ in the atmosphere.

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Article information

DOI: https://doi.org/10.1039/D2CP00001F
Article type: Paper
Submitted: 01 Jan 2022
Accepted: 08 Jun 2022
First published: 16 Jun 2022

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Phys. Chem. Chem. Phys., 2022,24, 16274-16280

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Oxidation of HOSO˙ by O₂ (³Σ_g⁻): a key reaction deciding the fate of HOSO˙ in the atmosphere

P. K. Rai, S. Sarkar, B. Bandyopadhyay and P. Kumar, Phys. Chem. Chem. Phys., 2022, 24, 16274 DOI: 10.1039/D2CP00001F

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