Croatica Chemica Acta, Vol. 57 No. 6, 1984.
Izvorni znanstveni članak
A Molecular-Orbital Study of the Thermal Walk Rearrangement of Bicyclo[2.1.0]pent-2-ene
Per N. Skancke
; Department of Chemistry, Institute of Mathematical and Physical Sciences, University Tromso, P. 0. Box 953, N-9001 Tromso, Norway
Sažetak
Ab initio molecular orbital studies with geometry optimizations
indicate that in the walk rearrangement of bicyclo-[2.l.O]pent-2-
-ene the reaction path that goes via inversion of the migrating ·
center is slightly preferred. The transition state is however found
to have a diradical nature and thus is not stabilized by positive
orbital interaction between the migrating center and the ring.
Ključne riječi
Hrčak ID:
194035
URI
Datum izdavanja:
21.5.1985.
Posjeta: 436 *