Abstract
Thallium cation complexation by calix[4]tubes has been investigated by a combination of (TI)-T-205, H-1 NMR and ES MS demonstrating the solution formation of a dithallium complex in which the cations are held in the calix[4]arene cavities. In addition, the structure of the complex has been determined in the solid state revealing the cations to be held exclusively by pi-cation interactions. Furthermore, this crystal structure has been used as the basis for molecular dynamics simulations to confirm that binding of the smaller K+ cation in the calix[4]tube cryptand like array occurs via the axial route featuring a g-cation intermediate.
Original language | English |
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Pages (from-to) | 729-734 |
Number of pages | 6 |
Journal | Inorganic Chemistry |
Volume | 42 |
Issue number | 3 |
DOIs | |
Publication status | Published - 2003 |
Keywords
- ETHERS
- CALIX<4>ARENES
- ION
- SILVER
- CALIXARENES
- SELECTIVITY
- COORDINATION
- ALKALI
- CESIUM
- NON-AQUEOUS SOLUTIONS