The hydrogen abstraction reactions of OH radicals with CH₃CH₂CH₂Cl and CH₃CHClCH₃ (R2) have been investigated theoretically by a dual-level direct dynamics method. The optimized geometries and frequencies of the stationary points are calculated at the B3LYP/6-311G(d,p) level. To improve the reaction
Mechanistic and kinetic study on the SN2 and E2 reactions of Cl− with CH3OBr
✍ Scribed by Liu, Jianglong; Geng, Zhiyuan; Wang, Yongchen; Wang, Dongmei; Liu, Yanyu
- Book ID
- 120651765
- Publisher
- Elsevier
- Year
- 2013
- Tongue
- English
- Weight
- 521 KB
- Volume
- 1012
- Category
- Article
- ISSN
- 2210-271X
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## Abstract The rate coefficients for the reactions of Cl atoms with CH~3~Br, (__k__~1~) and CH~2~Br~2~, (__k__~2~) were measured as functions of temperature by generating Cl atoms via 308 nm laser photolysis of Cl~2~ and measuring their temporal profiles via resonance fluorescence detection. The m