Theoretical study on the complexation of the cesium cation with dibenzo-18-crown-6

被引：7
|
作者：
Toman, Petr [2 ]
Makrlik, Emanuel [1 ]
Vanura, Petr [3 ]
机构：
[1] Univ W Bohemia, Fac Sci Appl, Plzen, Czech Republic
[2] Acad Sci Czech Republ, Inst Macromol Chem, Prague, Czech Republic
[3] Inst Chem Technol, Fac Chem Engn, Dept Analyt Chem, CR-16628 Prague, Czech Republic
来源：
MONATSHEFTE FUR CHEMIE | 2011年 / 142卷 / 06期
关键词：
Crown ethers; Macrocycles; Complexation; Ab initio calculations; Complex structure; DFT-CALCULATED STRUCTURE; PROTONATED TETRAETHYL; CYCLIC POLYETHERS; NMR EVIDENCE; ION; TETRAACETATE; VALINOMYCIN; STABILITY;
D O I：
10.1007/s00706-011-0490-x
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
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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页码：569 / 571
页数：3
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