Radical–molecule reaction CH2Cl + NO2: a mechanistic study
✍ Scribed by Jia-xu Zhang; Ze-sheng Li; Jing-yao Liu; Chia-chung Sun
- Publisher
- Springer
- Year
- 2007
- Tongue
- English
- Weight
- 248 KB
- Volume
- 117
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract The radical‐molecule reaction mechanism of CHCl~2~ and CCl~3~ with NO~2~ have been explored theoretically at the B3LYP/6‐311G(d,p) and MC‐QCISD (single‐point) levels. For the singlet potential energy surface (PES) of CHCl~2~ + NO~2~ reaction, the association of CHCl~2~ with NO~2~ was fo
Fourier transform infrared spectroscopy was used to identify CH2CIOOH and HC(O)CI as products of the gas phase reaction of CH2CIO 2 radicals with HO 2 radicals. At 700 Torr and 295 \_ 2 K, branching ratios of kla//kl = 0.27 \_+ 0.05 and klb/k ) ffi 0.73 \_+ 0.12 were obtained for the CH2CIOOH formin
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
Rate constants for the reactions of OH radicals and Cl atoms with CH,CH,NO>, CH,CH,CH,NO,, CH3CH2CH2CHzN02, and CH,CH2CH2CH,CH2N02 have been determined at 295+3 K and a total pressure of approximately 1 atm. The OH rate data were obtained using both the absolute rate technique of pulse radiolysis co
Fourier transform infrared spectroscopy was used to identify CH2FOOH and HC(O)F as products of the gas-phase reaction of CHIFOz radicals with HOs radicals. At 700 Torr and 295 + 2 K, branching ratios for the CHrFOOH forming channel, k,,/k, =0.29 f 0.08 and the HC(O)F channel, klb/kl =0.71 f 0.11 wer