Theoretical study on the complexation of the cesium cation with dibenzo-18-crown-6 |
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| Authors: | Petr Toman Emanuel Makrlík and Petr Vaňura |
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| Institution: | (1) Institute of Macromolecular Chemistry, Academy of Sciences of the Czech Republic, Prague, Czech Republic;(2) Faculty of Applied Sciences, University of West Bohemia, Pilsen, Czech Republic;(3) Department of Analytical Chemistry, Faculty of Chemical Engineering, Institute of Chemical Technology, Prague, Czech Republic; |
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| Abstract: | Abstract By using quantum mechanical calculations, the most probable structures of free dibenzo-18-crown-6 ligand and the cationic
complex species of Cs+ both with one and with two dibenzo-18-crown-6 ligands were derived. In these two complexes, the “central” cation Cs+ is bound by strong bond interactions to the corresponding ethereal oxygen atoms of the parent crown ligand. |
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