Influence of Water on the NO<sub>3</sub> + HO<sub>2</sub> Reaction

The reaction between NO<sub>3</sub> and HO<sub>2</sub> is one of the most important reaction in nighttime atmospheric chemistry. There are two pathways for this reaction: one leading to the formation of HNO<sub>3</sub>, and the other resulting in the formation of the OH radical. Recent experimental and theoretical studies suggest that this reaction occurs through only the OH radical pathway. In this work, we have investigated the fate of this reaction in the presence of water using high-level quantum chemical and kinetics calculations over the temperature range of 213-400 K. Our investigation suggests that even in the presence of a water monomer, the reaction predominantly produces OH radicals.

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Publication Details

Journal
The Journal of Physical Chemistry A
Published
2025-02-18
DOI
https://doi.org/10.1021/acs.jpca.4c08696
Citations
2
Primary Topic
Atmospheric chemistry and aerosols
Type
article
Field-Weighted Citation Impact
2.60

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article

Influence of Water on the NO3 + HO2 Reaction

Philips Kumar, Pradeep Kumar
2 citations
The Journal of Physical Chemistry A
Atmospheric chemistry and aerosols
2.60
article

Influence of Water on the NO3 + HO2 Reaction

Philips Kumar, Pradeep Kumar
article en
2 citations

Abstract

The reaction between NO<sub>3</sub> and HO<sub>2</sub> is one of the most important reaction in nighttime atmospheric chemistry. There are two pathways for this reaction: one leading to the formation of HNO<sub>3</sub>, and the other resulting in the formation of the OH radical. Recent experimental and theoretical studies suggest that this reaction occurs through only the OH radical pathway. In this work, we have investigated the fate of this reaction in the presence of water using high-level quantum chemical and kinetics calculations over the temperature range of 213-400 K. Our investigation suggests that even in the presence of a water monomer, the reaction predominantly produces OH radicals.

The Journal of Physical Chemistry AVol. 129(8)
Malaviya National Institute of Technology Jaipur (IN)
Department of Science and Technology, Ministry of Science and Technology, India, Malaviya National Institute of Technology, Jaipur
Clean water and sanitation
Openalex Percentile: Top 14%
Atmospheric chemistry and aerosols
2.60
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