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Concerted vs. free radical migration mechanisms in the rearrangements of seminaphthalenes

✍ Scribed by Miller, Bernard; Saidi, Mohammed R.

Book ID
127240217
Publisher
American Chemical Society
Year
1976
Tongue
English
Weight
818 KB
Volume
98
Category
Article
ISSN
0002-7863

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McLafferty rearrangement of the radical
McLafferty rearrangement of the radical cations of butanal and 3-fluorobutanal: A theoretical investigation of the concerted and stepwise mechanisms
✍ Daniel Norberg; Nessima Salhi-Benachenhou πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 806 KB

## Abstract The stepwise and concerted pathways for the McLafferty rearrangement of the radical cations of butanal (Bu^+^) and 3‐fluorobutanal (3F‐Bu^+^) are investigated with density functional theory (DFT) and __ab initio__ methods in conjunction with the 6‐311+G(d,p) basis set. A concerted trans