Theoretical studies of decomposition and reactivity of the C۳F۷OCH۲O radical

Hydrofluoroethers (HFEs) are a kind of compounds which have been developed to replace CFCs in applications such as the cleaning of electronic equipment, heat transfer agents for semiconductor and electronics manufacture and fluid carriers for lubricant deposition [۱]. The atmospheric oxidation of n-C۳F۷OCH۳ (HFE-۷۰۰۰) will be initiated by reaction with OH radicals that the initial attack of OH radical on HFE-۷۰۰۰ leads to the formation of haloalkyl radicals [۲], which in turn reacts with atmospheric O۲ to give peroxy radicals (C۳F۷OCH۲O۲•). The reaction of C۳F۷OCH۲O۲ radical with NO, NO۲ and HO۲ in the troposphere finally causes the formation of haloalkoxy radicals (C۳F۷OCH۲O•).

کلیدواژه ها:

Decomposition ، HFE-۷۰۰۰ ، IRC ، Theoretical chemistry ، PES