## Abstract The absolute rate constant for the reaction of methyl radicals with ozone has been measured as a function of temperature. Small concentrations of CH~3~ were generated by flash photolyzing CH~3~NO~2~ at 193 nm with an ArF laser. A photoionization mass spectrometer was used to follow the
Shock-initiated decomposition of tetramethylgermane and the reaction of methyl radicals with toluene
โ Scribed by J. Dzarnoski; M. A. Ring; H. E. O'Neal
- Publisher
- John Wiley and Sons
- Year
- 1982
- Tongue
- English
- Weight
- 428 KB
- Volume
- 14
- Category
- Article
- ISSN
- 0538-8066
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โฆ Synopsis
The shock-initiated decomposition of tetramethylgermane (107%1242 K ) has been found to involve successive elimination of methyl radicals with the rate constant k l for the first step given by log k l (s-') = (17.00 f 0.35) -(77.0 f 1.9)/0 kcal/mol In the presence of excess toluene the products were CH4 (major), C2H4, and C2He. Results relevant to the reaction of methyl radicals with toluene compared to methyl radical recombination are discussed.
๐ SIMILAR VOLUMES
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Ab initio calculations have been used to characterize the transition states for halogen abstraction by CH 3 in reactions with CF 4 , CF 3 Cl, CF 3 Br, and CF 3 I (1-4). Geometries and frequencies were obtained at the HF/6-31G(d) and levels of theory. En-MP2 ฯญ full/6-31G(d) ergy barriers were compute
The activation energy and optimized transition-state geometry for the abstraction of a hydrogen atom from methane by methyl radical have been calculated by the semiempirical methods MIND0/3 and MNDo. These results are compared with other semiempirical and ab initio results. The MINDO/3 method, based