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1,3-hydrogen shift in phosphapropenes. Suprafacial sigmatropic rearrangements

✍ 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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✦ 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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