1,3-hydrogen shift in phosphapropenes. Suprafacial sigmatropic rearrangements
β Scribed by Minh Tho Nguyen; L. Landuyt; L.G. Vanquickenborne
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 321 KB
- Volume
- 212
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
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 they also compete favourably with the corresponding antamfacial pathways.
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