Kinetics and products study of the reaction of Cl atoms with methyl dichloroacetate: reactivity, mechanism, and environmental implications

STRACCIA C, VIANNI G.; RIVELA, CYNTHIA B.; BLANCO, MARÍA B.; TERUEL, MARIANO A.

Environmental Science: Atmospheres

Royal Society of Chemistry

Año: 2023

he relative rate coefficient of the gas-phase reaction of methyl dichloroacetate (CHCl2C(O)OCH3) with Cl atoms (kCl) was obtained at 298 K and atmospheric pressure. All the experiments were performed in a 480 L Pyrex glass atmospheric simulation reactor coupled to an “in situ” Fourier transform infrared (FTIR) spectrometer. The rate coefficient obtained from the average of different experiments was: kCl = (3.31 ± 0.88) × 10−13 cm3 per molecule per s. In addition, the product studies were performed in under similar conditions to those of the kinetic experiments in two different photoreactors by in situ FTIR spectroscopy and GC-MS/SPME. Dichloroacetic acid, phosgene, methyl trichloroacetate, and carbon monoxide were the main products identified and quantified. The obtained product yields for the reaction with Cl atoms were as follows: (24 ± 2), (19 ± 3), (16 ± 1), and (44 ± 2)% for Cl2CHCOOH, COCl2, CO, and CCl3C(O)OCH3, respectively. The initial pathway for the degradation of met