Electronic and Steric Structure of Thermal Isomerization Products of 1-Methyltricyclo [4.1.0.0~(2,7)] heptane Radical Cation

摘要

Distributions of the positive charge and unpaired electron in stable conformers of the thermal isomerization products of 1-methyltricyclo [4.1.0.0~(2,7)] heptane radical cation, having bicyclo [3.1.1] heptane, bicyclo [4.1.0] heptane, bicyclo [3.2.0] hept-6-ene, and 1,3-cycloheptadiene skeletons, were estimated by the PM3 semiempirical method.