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

STRACCIA C, VIANNI C; RIVELA, CYNTHIA; BLANCO, MARÍA BELÉN; TERUEL, MARIANO ANDRES

Environmental Science: Atmospheres

RSC

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 measured in a 480 L Pyrex glass atmospheric simulation reactor coupled to “in situ” Fourier Transform Infrared Spectrometry. The rate coefficient obtained from the average of different experiments was: kCl = (3.31 ± 0.88) ×10-13 cm3.molecule-1s-1. In addition, product studies were performed in similar conditions 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 product yields for the reaction with Cl atoms obtained were the following (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 methyl dichloroacetate in the reaction with Cl atoms oc