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August 11, 2025Asian Journal of Applied Chemistry ResearchOpen Access

Theoretical Investigation on Mechanism and Kinetics of M2CAA Initiated by Cl Atom in the Atmosphere

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Authors

NTNabam TayumNGNand Kishor GourAMArumugam Murugan

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Overview

Theoretical investigation reveals chlorine’s impact on methyl 2-chloroacetoacetate degradation kinetics and mechanisms.

Key Points

  • Hydrogen abstraction reactions were characterized, revealing the importance of the Cl atom in degradation.
  • Rate coefficients for hydrogen abstraction pathways were calculated across a temperature range of 250–450 K.
  • The study identified the most stable conformer of methyl 2-chloroacetoacetate at ambient temperature.
  • Results suggest the atmospheric lifetime of methyl 2-chloroacetoacetate is about 1.85 days.

Cite This Study

Tayum et al. (2025) studied this question.

synapsesocial.com/papers/68a35eeb0a429f7973327fc5https://doi.org/10.9734/ajacr/2025/v16i3340
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