2024
DOI: 10.1021/acsearthspacechem.4c00264
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Theoretical and In Situ FTIR Studies of the Atmospheric Sink of Methyl Dichloroacetate by OH Radicals and Cl Atoms: Kinetics, Product Distribution, and Mechanism

Vianni G. Straccia C,
Alejandro L. Cardona,
María B. Blanco
et al.

Abstract: The atmospheric degradation of methyl dichloroacetate can be initiated by • OH and Cl • radicals through H atom abstraction from the alkyl groups (Cl 2 HC− or −CH 3 ) of the chloroester. Product yields for the gas-phase reaction with • OH were determined experimentally in a 480 L Pyrex glass atmospheric-simulation reactor coupled to an in situ Fourier transform infrared (FTIR) spectrometer. In addition to those results, we present in this paper a complete degradation mechanism based on thermodynamic data obtai… Show more

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