Formation of Nitric Acid in the Gas-Phase HO 2 + NO Reaction: Effects of Temperature and Water Vapor
β Scribed by Butkovskaya, N. I.; Kukui, A.; Pouvesle, N.; Le Bras, G.
- Book ID
- 120823844
- Publisher
- American Chemical Society
- Year
- 2005
- Tongue
- English
- Weight
- 190 KB
- Volume
- 109
- Category
- Article
- ISSN
- 1089-5639
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π SIMILAR VOLUMES
## Abstract __The effect of a single water molecule on the reaction mechanism of the gasβphase reaction between formic acid and the hydroxyl radical was investigated with highβlevel quantum mechanical calculations using DFTβB3LYP, MP2 and CCSD(T) theoretical approaches in concert with the 6β311+G(2
Pcroxynitrlc ac~d has been idcntlficd by I~our~cr transform, infrared, long-path spectroscopy as a product of the UVirrndratcd ddutc mi\turcs of llON0, CO, NO, in synthctrc air at 24 L 2Β°C'. The characteristic pcnks of this compound arc idcntrcnl to those obscrvcd by Nikl ct al., in Irr.ulratcd Clz,
The dark reaction of NO, and HzO vapor in 1 atm of air was studied for the purpose of elucidating the recently discussed unknown radical source in smog chambers. Nitrous acid and nitric oxide were found to be formed by the reaction of NO2 and H2O in an evacuable and bakable smog chamber. No nitric a