Photo-oxidation of Dimethyl Malonate Initiated by Chlorine Atoms in Gas Phase: Kinetics and Mechanism
- Rimondino, Guido Noé
- Henao Arboleda, Diana Patricia
- Peláez, Walter José
- Argüello, Gustavo Alejandro
- Malanca, Fabio Ernesto
DOIAbstract
The rate coefficient for the gas-phase reaction of chlorine atoms with dimethyl malonate (DMM, CH3OC(O)CH2C(O)OCH3) was determined at 298 K using relative methods giving a value of (3.8 ± 0.4) × 10-12, cm3 molecule-1 s-1). The photo-oxidation mechanism of DMM was also investigated. The main products were identified by infrared spectroscopy, and computational calculations were performed in order to support the experimental data. The results reveal that the photo-oxidation occurs mainly by the abstraction of an H atom from the methyl groups. The CH3OC(O)CH2C(O)OCH2O• radical formed subsequently reacts according to three competitive paths: reaction with molecular oxygen to yield CH3OC(O)CH2C(O)OC(O)H, isomerization-unimolecular decomposition t...
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