The mechanism of the McLafferty rearrangement of the butanal radical cation to ethylene and vinyl alcohol cation is found, by ab initio calculations, to be stepwise. The results of a previous ab initio study are inconclusive because of symmetry restriction in their geometry optimization. Although t
A MNDO and AM1 quantum chemical study of the reaction mechanism of the McLafferty type rearrangement in the butanal radical cation
✍ Scribed by Pedro P. Trigueros; Jordi Casanovas; Carlos Alemán; M.Cristina Vega
- Book ID
- 113257742
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 746 KB
- Volume
- 277
- Category
- Article
- ISSN
- 0166-1280
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