Generation of the atrane cations by nuclear-chemical method: Quantum-chemical study

I. S. Ignat’ev, T. A. Kochina, V. V. Avrorin, Yu E. Ermolenko

Research output: Contribution to journalArticlepeer-review


Comparative analysis of equilibrium structures of cations [RM(OCH2CH2)2NCH3]+ (M = Si, Ge; R = F, Me, Ph) and the corresponding neutral compounds HRM(OCH2CH2)2NCH3 was performed based on quantum-chemical calculations. The possibility was analyzed for expanding nuclear-chemical method to generation of cations having the atrane structure. Quantum-chemical method was applied to estimate the heights of barriers to hydrolysis by the bond in ocanes acting as the sources of the corresponding cations with the atrane structure.

Original languageEnglish
Pages (from-to)1119-1124
Number of pages6
JournalRussian Journal of General Chemistry
Issue number6
StatePublished - 1 Jun 2017

Scopus subject areas

  • Chemistry(all)


  • cations of the atrane structure
  • germocanes
  • nuclear-chemical method
  • silocanes


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