Research output: Contribution to journal › Article › peer-review
Generation of the atrane cations by nuclear-chemical method : Quantum-chemical study. / Ignat’ev, I. S.; Kochina, T. A.; Avrorin, V. V.; Ermolenko, Yu E.
In: Russian Journal of General Chemistry, Vol. 87, No. 6, 01.06.2017, p. 1119-1124.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Generation of the atrane cations by nuclear-chemical method
T2 - Quantum-chemical study
AU - Ignat’ev, I. S.
AU - Kochina, T. A.
AU - Avrorin, V. V.
AU - Ermolenko, Yu E.
PY - 2017/6/1
Y1 - 2017/6/1
N2 - 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.
AB - 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.
KW - cations of the atrane structure
KW - germocanes
KW - nuclear-chemical method
KW - silocanes
UR - http://www.scopus.com/inward/record.url?scp=85026762854&partnerID=8YFLogxK
U2 - 10.1134/S1070363217060032
DO - 10.1134/S1070363217060032
M3 - Article
AN - SCOPUS:85026762854
VL - 87
SP - 1119
EP - 1124
JO - Russian Journal of General Chemistry
JF - Russian Journal of General Chemistry
SN - 1070-3632
IS - 6
ER -
ID: 9340058