Ab initio molecular orbital theory and density functional theory calculations have been carried out on the reactions of the trifluoromethyl radical with the hydroxyl and the hydrogen radicals. These reactions are key reactions that underlie a new fire extinguishing mechanism of non-bromine-containin
The reaction of trifluoromethyl radicals with ammonia
β Scribed by E. R. Morris; J. C. J. Thynne
- Publisher
- John Wiley and Sons
- Year
- 1970
- Tongue
- English
- Weight
- 271 KB
- Volume
- 2
- Category
- Article
- ISSN
- 0538-8066
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β¦ Synopsis
Abstract
The reaction of trifluoromethyl radicals with ammonia in the gas phase has been studied in the temperature range 30β352Β°. Product formation is not explicable simply in terms of the reactions:
and curvature of the Arrhenius plot at high and low temperatures suggests that there are additional sources of fluoroform.
π SIMILAR VOLUMES
The kinetics of CFs radicals with NO2 have been investigated. CFs radicals were generated by infrared multiphoton dissociation of CFJ in the presence of NO\*. The absolute reaction rate constant was measured at 300 4 4 K as (2.5 C 0.4) x 10-l' cm3 molecule-' s-' from monitoring the rise time of C&O
Arrhenius parameters have been determined for the hydrogen-abstraction reactions: R + SiHCI, + RH + SiCl, CF, 323-46 1 5.98 & 0.06 11.77 f 0.03 8.50 CH, 333-443 4.30 f 0.08 10.83 & 0.04 8.48 C,H, 314-413 5.32 & 0.07 11.54 f 0.04 8.63 7 - l h e trend in activation energies ECH, < E c ~H , < ECF, is
Cross-disproportionation/combination ratios for CFH2 and CF3 with C2H5 radicals have been determined to be A = 0.032 f 0.012 and A = 0.098 f 0.020, respectively, over the temperature range 25-75Β°C. For the pathway that yields CFH and CzHs, A = 0.020 f 0.005 a t 25Β°C.
The following hrrhenius parameters have been determined for the hydrogen-abstraction reactions: CF,