Reaction between Hydrogen Peroxide and Ozone: Possibility of the Formation of H<sub>2</sub>O<sub>5</sub>
Gas-phase reaction of ozone and hydrogen peroxide to form water and singlet oxygen, a reactive oxygen species, has been investigated employing density functional theory and ab initio coupled cluster, CCSD(T) methods. The calculated H<sub>2</sub>O<sub>2</sub> loss (4.01 × 10<sup>-7</sup> s<sup>-1</sup> at 296 K) has excellent agreement with the experimental observations considering the ozone concentration in the stratosphere and upper troposphere of the order of 10<sup>13</sup> molecules cm<sup>-3</sup>. Notably, a new pathway leading to the formation of H<sub>2</sub>O<sub>5</sub> has been observed, which has not been reported in the existing literature until now.
Authors
- Biplab Sarkar (ORCID: https://orcid.org/0000-0003-2640-4401)
- Shankupar Rynjah (ORCID: https://orcid.org/0000-0002-8348-2353)
- Bhabesh Baro
- Harsha N. Borah
Institutions
- North Eastern Hill University (IN)
Publication Details
- Journal
- The Journal of Physical Chemistry A
- Published
- 2025-03-19
- DOI
- https://doi.org/10.1021/acs.jpca.4c06707
- Primary Topic
- Atmospheric Ozone and Climate
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Council of Scientific and Industrial Research, India
- University Grants Commission
- Science and Engineering Research Board