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Theoretical study on the complexation of the cesium cation with dibenzo-18-crown-6
- 1.0359586 - ÚMCH 2012 RIV AT eng J - Journal Article
Toman, Petr - Makrlík, E. - Vaňura, P.
Theoretical study on the complexation of the cesium cation with dibenzo-18-crown-6.
Monatshefte fur Chemie. Roč. 142, č. 6 (2011), s. 569-571. ISSN 0026-9247. E-ISSN 1434-4475
R&D Projects: GA ČR(CZ) GAP205/10/2280
Institutional research plan: CEZ:AV0Z40500505
Keywords : crown ethers * macrocycles * complexation
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 1.532, year: 2011
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.
Permanent Link: http://hdl.handle.net/11104/0006444
Number of the records: 1