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MINDO/2 calculation of the rearrangement of singlet ethylcarbene

✍ Scribed by Margarita Martin; Vicente Menendez; Juan M. Figuera

Publisher: Elsevier Science
Year: 1974
Tongue: English
Weight: 407 KB
Volume: 27
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(74)90226-7

No coin nor oath required. For personal study only.

✦ Synopsis

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.

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