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October 23, 2025Open Access

Atmospheric Oxidation of Monochloroacetic Acid (CH2ClCOOH) Initiated by Cl Atom: An Insight from DFT Study

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Authors

MBMoumita BasumataryTezpur UniversitySSSrutishree SarmaTezpur UniversityMUMadhab Upadhyaya

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Overview

DFT analysis reveals degradation mechanism of monochloroacetic acid, highlighting its global warming potential.

Key Points

  • Degradation mechanism shows significant atmospheric lifetime of monochloroacetic acid at 23 days.
  • Global warming potentials for monochloroacetic acid are calculated at 0.03, 0.01, and 0.003 across 20, 100, and 500 years.
  • Analysis includes pathways leading to carbon dioxide and hydroxyl radical formation through H-atom abstraction.
  • Results imply the need for further investigation on atmospheric impact of monochloroacetic acid and its byproducts.

Cite This Study

Basumatary et al. (2025) studied this question.

synapsesocial.com/papers/68f9bad6d7353cfcfc68f40ehttps://doi.org/10.26434/chemrxiv-2025-p25dv
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Also Consider

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

  1. 1Quantum Chemical Investigation of OH-Initiated Oxidation Kinetics of Ethyl 2-Chloroacetoacetate in the Atmosphere2025
  2. 2Theoretical Investigation on Mechanism and Kinetics of M2CAA Initiated by Cl Atom in the Atmosphere2025
  3. 3Atmospheric Oxidation Kinetics of Monochloramine by Hydroxyl Radical, Carbonyl Oxide, and Sulfur Trioxide Catalyzed by Water2026
  4. 4Unveiling the Atmospheric Oxidation of E2CAA Initiated by Cl Radical: DFT Study2025
  5. 5Product Formation from the Chlorine-Initiated Oxidation of Amyl Acetate Under Atmospheric Conditions2026