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

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 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
Volume87
Issue number6
DOIs
Publication statusPublished - 1 Jun 2017
Externally publishedYes

Fingerprint

Cations
Hydrolysis

Scopus subject areas

  • Chemistry(all)

Cite this

Ignat’ev, I. S. ; Kochina, T. A. ; Avrorin, V. V. ; Ermolenko, Yu E. / Generation of the atrane cations by nuclear-chemical method : Quantum-chemical study. In: Russian Journal of General Chemistry. 2017 ; Vol. 87, No. 6. pp. 1119-1124.
@article{faad6f63e7794682b3b2afa8013ef0b6,
title = "Generation of the atrane cations by nuclear-chemical method: Quantum-chemical study",
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 bond in ocanes acting as the sources of the corresponding cations with the atrane structure.",
keywords = "cations of the atrane structure, germocanes, nuclear-chemical method, silocanes",
author = "Ignat’ev, {I. S.} and Kochina, {T. A.} and Avrorin, {V. V.} and Ermolenko, {Yu E.}",
year = "2017",
month = "6",
day = "1",
doi = "10.1134/S1070363217060032",
language = "English",
volume = "87",
pages = "1119--1124",
journal = "Russian Journal of General Chemistry",
issn = "1070-3632",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "6",

}

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

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 -