Understanding the insight into the mechanisms and dynamics of the OH-initiated oxidation of CHF <subscript>2</subscript> CF <subscript>2</subscript> OCHF <subscript>2</subscript> and the subsequent reactions in the presence of NO and O <subscript>2</subscript> .

The mechanism and dynamics of CHF 2 CF 2 OCHF 2 initiated by OH radical evaluated through the density functional theory and variflex code. The solvation pattern of PCM was utilized to analyze the influence of water on the CHF 2 CF 2 OCHF 2  + OH reaction. The most feasible reaction channel is resulting in the product CF 2 CF 2 OCHF 2 with H 2 O by hydrogen abstraction. The computed rate coefficient is consistent with the experimental data. The results turned out that aqueous water act as a disincentive to the title reaction. In the atmosphere, the computation results testified that OH, H 2 O, NH 3 and HCOOH could not accelerate the degradation of the CHF 2 CF 2 OCHF 2 through OH-initiated in view of the Gibbs free barriers. The research of the follow-up oxidation procedure of the products CHF 2 CF 2 OCF 2 and CF 2 CF 2 OCHF 2 with O 2 /NO reactions indicated that CF 2 O and CHF 2 were the most feasible products. The atmospheric lifetimes of CHF 2 CF 2 OCHF 2 were in the scope of 71.10-4.74 years in altitude of 0-12 km and at 200-300 K. This research supplies discernment into the conversion of CHF 2 CF 2 OCHF 2 in a complex environment.

Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.

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