Generation of the atrane cations by nuclear-chemical method: Quantum-chemical study
- Authors: Ignat’ev I.S.1, Kochina T.A.2, Avrorin V.V.1, Ermolenko Y.E.1
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Affiliations:
- St. Petersburg State University
- Grebenshchikov Institute of Silicate Chemistry
- Issue: Vol 87, No 6 (2017)
- Pages: 1119-1124
- Section: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/220121
- DOI: https://doi.org/10.1134/S1070363217060032
- ID: 220121
Cite item
Abstract
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 М–О bond in ocanes acting as the sources of the corresponding cations with the atrane structure.
About the authors
I. S. Ignat’ev
St. Petersburg State University
Email: t-kochina@mail.ru
Russian Federation, St. Petersburg
T. A. Kochina
Grebenshchikov Institute of Silicate Chemistry
Author for correspondence.
Email: t-kochina@mail.ru
Russian Federation, nab. Makarova 2, St. Petersburg, 199034
V. V. Avrorin
St. Petersburg State University
Email: t-kochina@mail.ru
Russian Federation, St. Petersburg
Yu. E. Ermolenko
St. Petersburg State University
Email: t-kochina@mail.ru
Russian Federation, St. Petersburg
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