A variety of relative and absolute techniques have been used to measure the reactivity of fluorine atoms with a series of halogenated organic compounds and CO. The following rate constants were derived, in units of cm3 molecule-' s-l: CH3F, (3.7 2 0.8) X CH3C1, (3.3 2 0.71 X 10 -'I; CH3Br, (3.0 2 0.
Kinetic and Mechanistic Studies for Reactions of CF 3 CH 2 CHF 2 (HFC-245fa) Initiated by H-Atom Abstraction Using Atomic Chlorine
β Scribed by Chen, Junyi; Young, Valerie; Niki, Hiromi; Magid, Hillel
- Book ID
- 127161331
- Publisher
- American Chemical Society
- Year
- 1997
- Tongue
- English
- Weight
- 222 KB
- Volume
- 101
- Category
- Article
- ISSN
- 1089-5639
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## Abstract The mechanisms of the reactions: CH~3~CFCl~2~ + Cl (R1) and CH~3~CF~2~Cl + Cl (R2) are studied over a wide temperature range (200β3000 K) using the dualβlevel direct dynamics method. The minimum energy path calculation is carried out at the MP2/6β311G(d,p) and B3LYP/6β311G(d,p) levels,
The following gas-phase reactions: (1) ( 2 ) were studied by the competitive method with CF,I as the source of radicals. The kinetic parameters obtained in the temperature range 533-613 K and 503-613 K respectively for chlorine atom transfer reactions are given by: log hl/h,"(cm3 mol-" s -") = 16