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Theoretical Studies on the Mechanisms and Dynamics of OH Radicals with CH 2 FCF 2 OCHF 2 and CH 2 FOCH 2 F

✍ Scribed by Song, Guicai; Jia, Xiujuan; Gao, Yang; Luo, Jie; Yu, Yanbo; Wang, Rongshun; Pan, Xiumei


Book ID
125888209
Publisher
American Chemical Society
Year
2010
Tongue
English
Weight
523 KB
Volume
114
Category
Article
ISSN
1089-5639

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## Abstract A dual‐level direct dynamic method is employed to study the reaction mechanisms of CF~3~CH~2~OCHF~2~ (HFE‐245fa2; HFE‐245mf) with the OH radicals and Cl atoms. Two hydrogen abstraction channels and two displacement processes are found for each reaction. For further study, the reaction m

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## Abstract Smog chamber/FTIR techniques were used to study the Cl atom initiated oxidation of CH~2~FOCH~2~F in 700 Torr of N~2~/O~2~ at 296 K. Relative rate techniques were used to measure __k__(Cl + CH~2~FOCH~2~F) = (4.6 Β± 0.7) Γ— 10^βˆ’13^ and __k__(Cl + CH~2~FOC(O)F) = (2.9 Β± 0.8) Γ— 10^βˆ’15^ (in un