Rate Coefficients for the Gas Phase Reactions of CF 3 CH 2 F (HFC-134a) with Chlorine and Fluorine Atoms: Experimental and ab Initio Theoretical Studies
✍ Scribed by Louis, Florent; Talhaoui, Abdelmonaem; Sawerysyn, Jean-Pierre; Rayez, Marie-Thérèse; Rayez, Jean-Claude
- Book ID
- 127295606
- Publisher
- American Chemical Society
- Year
- 1997
- Tongue
- English
- Weight
- 146 KB
- Volume
- 101
- Category
- Article
- ISSN
- 1089-5639
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## Abstract Rate coefficients for the reaction of the hydroxyl radical with CF~3~CH~2~CH~3~ (HFC‐263fb) were computed using __ab initio__ methods, viz. MP2, G3MP2, and G3B3 theories between 200 and 400 K. Structures of the reactants in the ground state (GS) and transition state (TS) were optimized
## Abstract Relative rate experiments using UV photolysis of F~2~ or Cl~2~ have been used to determine rate constant ratios for several hydrofluorocarbon (HFC) reactions with Cl or F atoms and for HFC alkyl radicals with molecular halogens. For mixtures with F~2~ present, dark reactions are, also,