Rate Constants for the Reactions of a Series of Alkylperoxy Radicals with NO
β Scribed by Xing, Jia-Hua; Miyoshi, Akira
- Book ID
- 126014465
- Publisher
- American Chemical Society
- Year
- 2005
- Tongue
- English
- Weight
- 97 KB
- Volume
- 109
- Category
- Article
- ISSN
- 1089-5639
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π SIMILAR VOLUMES
## Abstract The recombination reactions of prototypical alkyl radicals (R) with O~2~, R + O~2~ β RO~2~, have been investigated theoretically by using the variational transition state theory and RiceβRamspergerβKasselβMarcus theory/master equation calculations based on the CASPT2(7,5)/augβccβpVDZ//B
Rate constants for the reactions of 0, and OH radicals with acetylene, propyne, and 1-butyne have been determined at room temperature. The rate constants obtained a t 294 i 2 K for the reactions of 0, with acetylene, propyne, and 1-butyne were (7.8 -c 1.2) x lo-'' cm3/molecule . s, (1.43 2 0.15) x l
The rate constants for the reaction of NO, radicals with a series of 7 dienes, 1,3-butadiene, isoprene, 2,3dimethyl-1,3-butadiene, trans-1,3-pentadiene, cis-1,3pentadiene, trans,trans-2,4bexadiene, and LEcyclohexadiene, were measured at 295 K and at a total pressure of 1 atm. The rate constants were
An electron paramagnetic resonance (EPR) technique was used to show that simple alkyl radicals readily abstract hydrogen from l,4-cyclohexadiene. Rate constants for the reaction were ca. 104-105 M-' s-' at 300 K and activation energies 5-7 kcal mol-'. For the stabilized radicals, ally1 and benzyl, t