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Sigmatropic [1,3] hydrogen migration in a 1-silapropene

✍ Scribed by Yeh, Ming Hsiung.; Hoffman, David K.; Barton, Thomas J.


Book ID
126444645
Publisher
American Chemical Society
Year
1986
Tongue
English
Weight
386 KB
Volume
108
Category
Article
ISSN
0002-7863

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1,3-hydrogen shift in phosphapropenes. S
✍ Minh Tho Nguyen; L. Landuyt; L.G. Vanquickenborne πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 321 KB

Ab initio molecular orbital calculations at the QCISD(T)/&311+ +G(d,P)//MP2/6-31G(d,p)+ZPE level show that the suprafacisl 1,3-hydrogen shifts in the I-phosphapropene-vinylphosphine ( H&-CH=PH=H,C=CH-PH2) and degenerate 1,3diphosphapropene (H\*P-CH-PH=HP=CH-PH,) rearrangements do not only exist but