Abstract
The MO LCAO SCF MNDO method has been used to calculate the structural features and charge distribution of perfluoroallyl cations substituted in positions 1 and 2. Theoretical and calculated results are compared, and the effect of the nature and position of the substituents on the relative stabilities of the species studied is considered.
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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 7, pp. 1584–1590, July, 1990.
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Galakhov, M.V., Bakhmutov, V.I. Structures of some polyfluorinated allyl cations calculated by the MO LCAO SCF method in the MNDO approximation. Russ Chem Bull 39, 1435–1440 (1990). https://doi.org/10.1007/BF00957854
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DOI: https://doi.org/10.1007/BF00957854