Kinetic and mechanistic study of the atmospheric degradation of C₃F₇OCHFCF₂SCH₂CH₂OH with ^?OH radical

Atmospheric degradation mechanism and kinetics of C3F7OCHFCF2SCH2CH2OH mediated by (OH)-O-center dot radicals were studied by DFT theory. There are four H-abstraction channels, and (C3F7OCHFCF2SCH2CHOH)-H-center dot radical is the main product. At 298 K, the CVT/SCT rate constant for C3F7OCHFCF2SCH2CH2OH + (OH)-O-center dot reaction was 4.87 x 10(-12) cm(3) molecule(-1) s(-1), which agrees well with the experimental value. The calculated lifetimes of C3F7OCHFCF2SCH2CH2OH were about 2-8 days. The ensuing reactions with O-2, NO and HO2 center dot were explored and the end-products were identified.