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Competing 1,3- and 1,2-Hydrogen Shifts in Gaseous Fluoropropyl Cations

โœ Scribed by Shaler, Thomas A.; Borchardt, Dan; Morton, Thomas Hellman

Book ID
126472121
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
238 KB
Volume
121
Category
Article
ISSN
0002-7863

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โœ Minh Tho Nguyen; L. Landuyt; L.G. Vanquickenborne ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 558 KB

The 1,3-hydrogen shifts in both the r-ionized and neutral forms of propene are studied by ab initio MO calculations. Stationary points are located at the (U)MPZ level and relative energies calculated at the (U)MP4 level with the 6-31G(d, p) basis set. As in neutral propene. the migratory process in