Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 113, Issue 18, Pages 5333-5337Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp900642q
Keywords
-
Funding
- CNPq
- FAPERJ
Ask authors/readers for more resources
CF3OH is an atmospheric sink for hydrofluorocarbons (HFCs) and hydrofluoroethers (HFEs). Several new mechanisms, including catalyzation via H2O and OH radical, for the decomposition of CF3OH into HF and CF2O are studied using ab inito methods. The present work demonstrates that the OH radical has a strong catalytic effect on the transition state for the decomposition of CF3OH. The barrier is found to be reduced from 45.9 kcal mol(-1) for the unimolecular decomposition to 11.0 kcal mol(-1) for decomposition including H2O and OH.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available