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August 16, 2025Chemical Science International JournalOpen Access

Unveiling the Atmospheric Oxidation of E2CAA Initiated by Cl Radical: DFT Study

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Authors

NPNarendra PramanikDDDebaprasad DevNGNand Kishor Gour

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Overview

Theoretical analysis reveals chlorine radical initiates atmospheric oxidation of E2CAA, suggesting implications for environmental impact.

Key Points

  • The reaction mechanism of E2CAA with chlorine radical was elucidated, indicating multiple pathways for hydrogen abstraction.
  • Kinetic calculations revealed a significant atmospheric lifetime for E2CAA of approximately 2.68 days after oxidization.
  • Using the M06-2X functional, a detailed thermodynamic study was conducted on gas-phase reactions with chlorine radicals.
  • These findings may influence future atmospheric chemistry models, highlighting the need to consider E2CAA in environmental assessments.

Cite This Study

Pramanik et al. (2025) studied this question.

synapsesocial.com/papers/68a366b20a429f797332ccdehttps://doi.org/10.9734/csji/2025/v34i4981
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