Hydrogen Bond in the H3O(Ph3PO)3 + Complex. Features of the Electron Density Distribution Full article
Journal |
Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
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Output data | Year: 2010, Volume: 51, Number: 1, Pages: 166-169 Pages count : 4 DOI: 10.1007/s10947-010-0023-1 | ||||
Tags | Electron localization function, ELF, Hydrogen bond, Hydroxonium ion, QTAIM, Quantum theory of atoms in molecules | ||||
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Abstract:
A quantum chemical study of the hydrogen bond in the H3O(Ph3PO)3 + complex is carried out using topological methods: quantum theory of atoms in molecules (QTAIM) and of electron localization function (ELF) theory. In the H3O(Ph3PO)3 + complex, three lone electron pairs on the oxygen atom in Ph3PO are found to be combined in one ELF basin, and they all participate in the hydrogen bond formation. The observed topological features of the H3O(Ph3PO)3 + complex are compared to the topological features of related complexes and the literature data.
Cite:
Drebuschak I.V.
, Kozlova S.G.
Hydrogen Bond in the H3O(Ph3PO)3 + Complex. Features of the Electron Density Distribution
Journal of Structural Chemistry. 2010. V.51. N1. P.166-169. DOI: 10.1007/s10947-010-0023-1 WOS Scopus РИНЦ
Hydrogen Bond in the H3O(Ph3PO)3 + Complex. Features of the Electron Density Distribution
Journal of Structural Chemistry. 2010. V.51. N1. P.166-169. DOI: 10.1007/s10947-010-0023-1 WOS Scopus РИНЦ
Original:
Дребущак И.В.
, Козлова С.Г.
Водородная связь в комплексе H3O(Ph3PO) . Особенности распределения электронной плотности
Журнал структурной химии. 2010. Т.51. №1. С.172-175. RSCI РИНЦ
Водородная связь в комплексе H3O(Ph3PO) . Особенности распределения электронной плотности
Журнал структурной химии. 2010. Т.51. №1. С.172-175. RSCI РИНЦ
Dates:
Submitted: | Jan 23, 2009 |
Published print: | Feb 1, 2010 |
Published online: | Mar 21, 2010 |
Identifiers:
Web of science | WOS:000275799500023 |
Scopus | 2-s2.0-77949590880 |
Elibrary | 15329980 |
Chemical Abstracts | 2010:365022 |
Chemical Abstracts (print) | 154:310702 |
OpenAlex | W2059882387 |