## Abstract The multipleโchannel reactions Br + CH~3~SCH~3~ โ products are investigated by direct dynamics method. The optimized geometries, frequencies, and minimum energy path are all obtained at the MP2/6โ31+G(d,p) level, and energetic information is further refined by the G3(MP2) (singleโpoint)
VLPR study of the reaction Br + CH3CHO
โ Scribed by Tajmeri S. A. Islam; Roger M. Marshall; Sidney W. Benson
- Publisher
- John Wiley and Sons
- Year
- 1984
- Tongue
- English
- Weight
- 244 KB
- Volume
- 16
- Category
- Article
- ISSN
- 0538-8066
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โฆ Synopsis
The reaction Br + CH,CHO A HBr + CH,CO has been studied by VLPR at 300 K. We find k, = 2.1 x 10" cm3/mol s in excellent agreement with independent measurements from photolysis studies. Combining this value with known thermodynamic data gives k-, = 1 x 10" cm3/mol s. Observations of mass 42 expected from ketene suggest a rapid secondary reaction: Br + CH,CO 5 [CH,COBrl* 5 HBr + CH,CO
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