Proton Affinity of Methyl Nitrite and Methyl Peroxynitrite: Implications for Measuring Branching Ratios of Alkyl Nitrates and Nitrites
β Scribed by Ravelo, Rose M.; Francisco, Joseph S.
- Book ID
- 125961416
- Publisher
- American Chemical Society
- Year
- 2008
- Tongue
- English
- Weight
- 492 KB
- Volume
- 130
- Category
- Article
- ISSN
- 0002-7863
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π SIMILAR VOLUMES
The pyrolysis of n-propyl nitrate and tert-butyl nitrite at very low pressures (VLPP technique) is reported. For the reaction n-PrON02 A nPrO + NO2 the high-pressure rate expression at 300"K, log k, (sec-l) = 16.5 -40.0 kcal/mole/2.3 RT, is derived. The reaction tert-BuONO -% tert-BuO + N O was stud
Ab initio calculations have been performed on the structure and stability of (MeO-NO)H + and the proton affinity (PA) of RO-NO (R=H, Me). At the MP4/6-311G\*\*//MP2(FULL)/6-31G\* level of theory, the ion-dipole adduct MeOH-NO Γ· 1 is by far the most stable protomer. At the G2 level, the dissociation