## Abstract The bimolecular reaction equation image is shown to proceed via a simple, nonchain, radical mechanism: equation image with the net reaction the same as (1). Rate constants are estimated for each step and for each possible competing reaction and shown to yield minor or negligible side
The cation radical vinylcyclopropane→cyclopentene rearrangement: reaction mechanism and periselectivity
✍ Scribed by J.P. Dinnocenzo; D.A. Conlon
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- French
- Weight
- 246 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0040-4039
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📜 SIMILAR VOLUMES
Ab initio reaction path calculations for the cation radical vinylcyclobutane rearrangement at the MP2l 6-31G\*//3-21G level reveal a concerted, sr reaction path with an activation energy of 9.4 kcal/mol. The vinylcyclobutane cation radical itself, at both the MP2 and MP3 levels of theory has predomi
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