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- W838461168 abstract "The 1,5-sigmatropic rearrangements involving group (X) migration in (X)-substituted 1,3-pentadiene, , where X = H, , , , OH or F, are investigated MO theoretically using the AM1 method. For the migrating groups without lone pair electrons, X = H, , or , the suprafacial pathway is favored, whereas for the migrating groups with lone pair electrons participating in the TS, , OH, or F, the antarafacial pathway is favored electronically. However excessive steric inhibition in the antarafacial TS for leads to subjacent orbital controlled suprafacial process. The antarafacial shift of F is relatively disfavored compared to that of OH due to smaller orbital overlap and larger interfrontier energy gap in the TS." @default.
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- W838461168 date "1992-01-01" @default.
- W838461168 modified "2023-09-24" @default.
- W838461168 title "Theoretical Studies of 1,5-Sigmatropic Rearrangements Involving Group Transfer$^1$" @default.
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