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Mechanism of the vinylcyclopropane rearrangement. Rearrangement of cyclopropylallene and MINDO/3 calculations

โœ Scribed by Dewar, Michael J. S.; Fonken, Gerhard J.; Kirschner, Steven; Minter, David E.

Book ID
126322684
Publisher
American Chemical Society
Year
1975
Tongue
English
Weight
493 KB
Volume
97
Category
Article
ISSN
0002-7863

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MINDO/2 calculation of the rearrangement
MINDO/2 calculation of the rearrangement of singlet ethylcarbene
โœ Margarita Martin; Vicente Menendez; Juan M. Figuera ๐Ÿ“‚ Article ๐Ÿ“… 1974 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 407 KB

The minimum energy paths for the isomerization of singlet ethylcarbene to propylene and cyclopropane have been calculated by MINDO/Z. The formation of the olefin presents no energy barrier but a critical energy of 1.4 kcal mol-' was found in the path to cyclopropane formation.