Synapse
⌘+K
Synapse
PulseExploreClubsResearchersJournals
Instagram
HomeClubsExplore
June 28, 2026The Journal of Physical Chemistry A

Atmospheric Oxidation Kinetics of Monochloramine by Hydroxyl Radical, Carbonyl Oxide, and Sulfur Trioxide Catalyzed by Water

View Full Paper
Ask AI
Bookmark
Share

Authors

CXChaolu XieBLBo LongDTDonald G. Truhlar

Discussion

Loading...

Member takes

Overview

Randomized trial investigates atmospheric removal kinetics of monochloramine, highlighting implications for ozone formation.

Key Points

  • This research aims to understand how monochloramine is removed from the atmosphere by key oxidants and the effects of various reaction dynamics.
  • Used dual-level kinetics calculations based on high-level quantum chemical calculations and density functional theory.
  • Employs coupled cluster theory for electronic structure calculations and transition state theory for kinetics analysis.
  • Analyzed reaction dynamics at various temperatures (190 K and 280 K) to assess tunneling and anharmonic effects.
  • Rate constant for NH2Cl + OH enhanced by 14 times due to anharmonic effects at 190 K; drops to 6.2 times at 280 K.
  • Tunneling enhances the rate constant for NH2Cl + SO3 + H2O by 20 times at 190 K; decreases to 2.3 at 280 K.
  • Recrossing effects reduce the NH2Cl + OH rate coefficient significantly at both temperatures.

Cite This Study

Xie et al. (2026) studied this question.

synapsesocial.com/papers/6a40b9f361bb0a67205c6020https://doi.org/10.1021/acs.jpca.6c02575
View Full Paper
Ask AI
Bookmark
Share

Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

  1. 1Impact of Criegee Intermediate Reactions with Peroxy Radicals on Tropospheric Organic Aerosol2020 · 40 citations
  2. 2Degradation of Organic Micropollutants in UV/NH<sub>2</sub>Cl Advanced Oxidation Process2019 · 170 citations
  3. 3Unprecedented Ambient Sulfur Trioxide (SO<sub>3</sub>) Detection: Possible Formation Mechanism and Atmospheric Implications2020 · 79 citations
  4. 4Simple perturbation theory estimates of equilibrium constants from force fields1991 · 124 citations
  5. 5Criterion of minimum state density in the transition state theory of bimolecular reactions1979 · 541 citations