MCSCF study of singlet oxygen addition to ethenol?a model of photooxidation reactions of unsaturated and aromatic compounds bearing hydroxy groups
✍ Scribed by Liwo, Adam; Dyl, Dariusz; Jeziorek, Danuta; Nowacka, Ma?gorzata; Ossowski, Tadeusz; Wo?nicki, Wies?aw
- Book ID
- 101221336
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 234 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0192-8651
No coin nor oath required. For personal study only.
✦ Synopsis
MCSCF STUDY OF SINGLET OXYGEN
intermediate can then undergo conversion to the dioxethane product, to the perepoxide intermediate, or via a proton transfer, directly to the hydroperoxide, the last route being the most probable one. The perepoxide intermediate, after a proton transfer, also readily gives the hydroperoxide. It was also found that the unimolecular conversion from dioxethane to hydroperoxide via a proton transfer from the hydroxy group accompanied with ring cleavage requires an activation energy of at least 56 kcalrmol, making this reaction path highly improbable.