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[1,5] Sigmatropic Hydrogen Shifts in Cyclic 1,3-Dienes

โœ Scribed by Hess, B. Andes; Baldwin, John E.

Book ID
126301045
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
277 KB
Volume
67
Category
Article
ISSN
0022-3263

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๐Ÿ“œ SIMILAR VOLUMES

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It is known that cyclopentadienes', cyoloheptatrienes2 and certain penta--l,+dienes ,<the latter at much higher temperatures)3 undergo double bond isomerization as a result of intramolecular I,+shift of hydrogen. The reversible thermal transformations of these compounds lead to the establishment of

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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