## Abstract The multipleβchannel reactions Br + CH~3~SCH~3~ β products are investigated by direct dynamics method. The optimized geometries, frequencies, and minimum energy path are all obtained at the MP2/6β31+G(d,p) level, and energetic information is further refined by the G3(MP2) (singleβpoint)
An FTIR study of the mechanism for the reaction HO + CH3SCH3
β Scribed by H. Niki; P. D. Maker; C. M. Savage; L. P. Breitenbach
- Publisher
- John Wiley and Sons
- Year
- 1983
- Tongue
- English
- Weight
- 350 KB
- Volume
- 15
- Category
- Article
- ISSN
- 0538-8066
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β¦ Synopsis
Product studies were made using the Fourier transform infrared method in the uv (300-400-nm) photolysis of mixtures containing CH3SCH3, CZH~ONO, and NO in ppm concentrations in 700 torr of O r N p diluent. Methyl thionitrite, CH3SN0, arising from the reaction CH3S + NO, was detected as an intermediate product. In addition, the yields of the major sulfur-containing products SO2 and CH3S03H coincided with those of the oxidation of the CH3S radicals generated directly by the photodissociation of CH3SNO. The formation of CH3S in the HO-initiated oxidation of CH3SCH3 in the presence of NO suggests a reaction scheme involving the H-abstraction reaction HO + CH3SCH3 -CH3SCHz + HzO as the primary step.
π SIMILAR VOLUMES
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