Relative Stability of Isomeric Carbocations with Migrating Groups in the Neighboring Positions

publication · 6 years ago
by Alexander M. Genaev, Vyacheslav G. Shubin (Russian Academy of Sciences)
MarvinSketch

The relative stabilities of isomeric 9,9-dimethyl-10-R- and 9-R-9,10-dimethylphenanthrenyl, as well as of 3-R-2,3-diphenylbutan-2-yl and 1-R-2-methyl-1,2-diphenylpropan-1-yl cations, were determined in terms of the density functional theory. The equilibrium isomer ratio was found to depend to an appreciable extent on steric requirements of the substituents.

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