THEORETICAL AND EXPERIMENTAL STUDIES OF DONORACCEPTOR INTERACTION CATIONS Li+, Na+, K+ WITH BIDENTATE SOLVENTS

The possibility of formation of cation Li + complexes with the molecules of 1,2-dimethoxyethane (DME) and dimethyl carbonate (DMC) is considered. Calculations of electronic and spatial structure of the complexes are made by Hartree-Fock-Roothaan. Quantum — chemical calculations of the thermodynamics...

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Published inVìsnik Odesʹkogo Nacìonalʹnogo Unìversitetu: Hìmìâ Vol. 15; no. 3; pp. 120 - 124
Main Author L. D. Tarasova
Format Journal Article
LanguageEnglish
Published Odessa I. I. Mechnikov National University 01.06.2015
Subjects
катіони K+, Na+, Li+, 1,2 —диметоксіетан, диметилкарбонат, хелати
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Summary:The possibility of formation of cation Li + complexes with the molecules of 1,2-dimethoxyethane (DME) and dimethyl carbonate (DMC) is considered. Calculations of electronic and spatial structure of the complexes are made by Hartree-Fock-Roothaan. Quantum — chemical calculations of the thermodynamics of the interaction of alkali metal cations with the DMC and the DME favors the presence of strong complexing chelates and hardening with decreasing ionic radius of cations in the number of K+ → Na+ → Li+.
ISSN:2304-0947
2414-5963
DOI:10.18524/2304-0947.2010.3.44581