Complexes of the H(5)O(2)(+) and H(3)O(+) Cations with Polyethers in Water Saturated Dichloroethane Solutions. A Combined IR Spectroscopic and Quantum Mechanics Study Научная публикация
Журнал |
Journal of the Chemical Society. Perkin Transactions 2 (up to 2002)
ISSN: 0300-9580 |
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Вых. Данные | Год: 2002, Номер: 5, Страницы: 887-893 Страниц : 7 DOI: 10.1039/b201034h | ||||||
Ключевые слова | Complexation; Composition; Ethane; Hydration; Hydrogen bonds; Infrared spectroscopy; Negative ions; Protons; Quantum theory; Solutions | ||||||
Авторы |
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Организации |
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Информация о финансировании (1)
1 | European Commission | INCO-COPERNICUS ERB IC15-CT98-0208 |
Реферат:
We report combined IR spectroscopic and quantum mechanical studies on the interactions between hydrated proton (H3O+ and H5O2+) and polyethers (L = 15-crown-5, 18-crown-6, benzo-18-crown-6 and polyethylene glycols PEG-400 and PEG-600) in 1,2-dichloroethane (DCE) solution saturated with water, in the presence of non-coordinating chlorinated cobalt dicarbollide anions. The state of the hydrated proton and composition of the complexes are shown to depend on the nature and concentration of the ligand. Thus, 15-crown-5 forms [H3O+·L] and [H5O2+·2L] complexes at small and high concentrations of L, respectively. At all studied concentrations, 18-crown-6 and benzo-18-crown-6 form only [H3O+·L] type complexes, whereas PEGs form 1 ∶ 1 complexes with H5O2+. The coordination patterns of the hydrated proton depend on the topology, flexibility/rigidity and the number of donor centres of L. In the [H3O+·(18c6)], [H3O+·(B18c6)] and [H5O2+·2(15c5)] complexes, the hydrated proton forms preferentially O–H⋯OL linear hydrogen bonds. In [H3O+·15c5], H3O+ interacts with all 5 O-atoms of 15c5 via one linear and two asymmetric bifurcated H-bonds. We also report the first IR characterization of the [H5O2+·4H2O] cation complex in an organic solution.
Библиографическая ссылка:
Varnek A.
, Wipff G.
, Famulari A.
, Raimondi M.
, Vorob'eva T.
, Stoyanov E.
Complexes of the H(5)O(2)(+) and H(3)O(+) Cations with Polyethers in Water Saturated Dichloroethane Solutions. A Combined IR Spectroscopic and Quantum Mechanics Study
Journal of the Chemical Society. Perkin Transactions 2 (up to 2002). 2002. N5. P.887-893. DOI: 10.1039/b201034h WOS Scopus РИНЦ
Complexes of the H(5)O(2)(+) and H(3)O(+) Cations with Polyethers in Water Saturated Dichloroethane Solutions. A Combined IR Spectroscopic and Quantum Mechanics Study
Journal of the Chemical Society. Perkin Transactions 2 (up to 2002). 2002. N5. P.887-893. DOI: 10.1039/b201034h WOS Scopus РИНЦ
Даты:
Поступила в редакцию: | 28 янв. 2002 г. |
Принята к публикации: | 8 мар. 2002 г. |
Опубликована online: | 2 апр. 2002 г. |
Опубликована в печати: | 29 апр. 2002 г. |
Идентификаторы БД:
Web of science | WOS:000175325400006 |
Scopus | 2-s2.0-0036014013 |
РИНЦ | 36221364 |
Chemical Abstracts | 2002:318171 |
Chemical Abstracts (print) | 137:159894 |
OpenAlex | W1891616019 |