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

Literature Information

Publication Date 2022-06-16
DOI 10.1039/D2CP00001F
Impact Factor 3.676
Authors

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


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Abstract

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

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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