MINDO/3 Study of the thermal isomerizations of methylbicyclo[2,1,0]pent-2-ene and its 1- and 2- methyl derivatives
Abstract
MINDO/3 calculations are reported for the thermal rearrangements of bicyclo[2,1,0]pent-2-ene, and of its 1- and 2-methyl derivatives, to cyclopentadienes, and for the interconversion of 1- and 2-methylcyclo-pentadiene; the results suggest that only normal electrocyclic and sigmatropic rearrangements are involved.