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Updated: Sep 22, 2025
12:11
Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
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Hydrotrioxide (ROOOH) formation in the atmosphere
Torsten Berndt1, Jing Chen2, Eva R Kjærgaard2
1Atmospheric Chemistry Department (ACD), Leibniz Institute for Tropospheric Research (TROPOS), 04318 Leipzig, Germany.
Science (New York, N.Y.)
|May 26, 2022
Summary
Atmospheric organic hydrotrioxides (ROOOH) are directly observed forming from organic peroxy radicals (RO2) and hydroxyl radicals (OH). This previously overlooked substance class has a significant global formation yield and short atmospheric lifetime.
Area of Science:
- Atmospheric Chemistry
- Organic Chemistry
- Environmental Science
Background:
- Organic hydrotrioxides (ROOOH) are potent oxidants utilized in organic synthesis.
- Previous speculation suggested atmospheric formation via gas-phase reactions between organic peroxy radicals (RO2) and hydroxyl radicals (OH).
Purpose of the Study:
- To directly observe the formation of organic hydrotrioxides (ROOOH) in the atmosphere.
- To investigate the kinetics of the RO2 + OH reaction.
- To quantify the atmospheric formation yield and impact of ROOOH.
Main Methods:
- Direct observation of ROOOH formation from atmospherically relevant RO2 radicals.
- Kinetic analysis of RO2 + OH reactions.
- Global modeling of isoprene degradation to predict ROOOH yields.
Main Results:
- Direct observation confirmed ROOOH formation from RO2 + OH reactions.
- Reaction rate coefficients were found to be near the collision limit.
- Global modeling predicted up to 1% molar hydrotrioxide yields from isoprene degradation, totaling ~10 million metric tons annually.
- Estimated atmospheric lifetime of ROOOH is minutes to hours.
Conclusions:
- Organic hydrotrioxides (ROOOH) are a newly identified, significant class of atmospheric compounds.
- The rapid formation and substantial yield necessitate further examination of their atmospheric impact.
- ROOOH represent a previously omitted component in atmospheric chemistry models.
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