Electronic and Steric Structure of Thermal Isomerization Products of 1-Methyltricyclo[4.1.0.02,7]heptane Radical Cation |
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| Authors: | Zverev V V Vasin V A |
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| Institution: | (1) Arbuzov Institute of Organic and Physical Chemistry, Kazan Research Center, Russian Academy of Sciences, Kazan, Tatarstan, Russia;(2) Ogarev Mordovian State University, Saransk, Mordovia, Russia |
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| Abstract: | Distributions of the positive charge and unpaired electron in stable conformers of the thermal isomerization products of 1-methyltricyclo4.1.0.02,7]heptane radical cation, having bicyclo3.1.1]heptane, bicyclo4.1.0]heptane, bicyclo3.2.0]hept-6-ene, and 1,3-cycloheptadiene skeletons, were estimated by the PM3 semiempirical method. |
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