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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 Full article

Common Language: Английский, Genre: Full article,
Status: Published, Source type: Original
Journal Journal of the Chemical Society. Perkin Transactions 2 (up to 2002)
ISSN: 0300-9580
Output data Year: 2002, Number: 5, Pages: 887-893 Pages count : 7 DOI: 10.1039/b201034h
Tags Complexation; Composition; Ethane; Hydration; Hydrogen bonds; Infrared spectroscopy; Negative ions; Protons; Quantum theory; Solutions
Authors Varnek A. 1 , Wipff G. 1 , Famulari A. 2 , Raimondi M. 2 , Vorob'eva T. 3 , Stoyanov E. 3
Affiliations
1 Laboratoire MSM, UMR 7551 CNRS, 4, rue Strasbourg, 67000, France
2 Department of Physical Chemistry and Electrochemistry, University of Milan, via Goldi 19, Milan, Italy
3 Institute of Catalysis, Russian Academy of Sciences, av. Lavrentiev, 5, Novosibirsk, Russia

Funding (1)

1 European Commission INCO-COPERNICUS ERB IC15-CT98-0208

Abstract: 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.
Cite: 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
Dates:
Submitted: Jan 28, 2002
Accepted: Mar 8, 2002
Published online: Apr 2, 2002
Published print: Apr 29, 2002
Identifiers:
Web of science WOS:000175325400006
Scopus 2-s2.0-0036014013
Elibrary 36221364
AN 2002:318171
CAN 137:159894
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