Atmospheric Photo-oxidation of Diethyl Carbonate: Kinetics, Products, and Reaction Mechanism

FABIO E. MALANCA *

JOURNAL OF PHYSICAL CHEMISTRY A

AMER CHEMICAL SOC

Lugar: Washington; Año: 2020 vol. 124 p. 56 - 56

1089-5639

span style="font-family: "Times New Roman"; font-size: 12pt; mso-fareast-font-family: "Times New Roman"; mso-fareast-language: ES; mso-ansi-language: ES; mso-bidi-language: AR-SA;">The rate coefficient for the gas phase of diethylcarbonate with chlorine atoms has been determined at 298 K using a relative method, employing ethyl formate and ethyl acetate as reference compounds. Theexperimental value, (1.0 ± 0.2) × 10-11 cm3 molecule-1 s-1, is in good correlation with the one estimated by the SAR (Structure−Activity Relationship)method. The photo-oxidation mechanism of diethyl carbonate initiated bychlorine atoms was also studied at 298 K and atmospheric pressure as a functionof the oxygen partial pressure. The main products identified by infraredspectroscopy were CH3CH2OC(O)OCHO, CH3CH2OC(O)OCH2CHO, CH3CH2OC(O)OC(O)CH3,CO2, CO, HCOOH, and CH3COOH. The results reveal that the oxidation processoccurs by the abstraction of a hydrogen atom from the methyl (43%) an