Thallium pi-cation complexation by calix[4]tubes: Tl-205 NMR and X-ray evidenceMatthews, S.E., Rees, N.H., Felix, V., Drew, M.G.B. and Beer, P.D. (2003) Thallium pi-cation complexation by calix[4]tubes: Tl-205 NMR and X-ray evidence. Inorganic Chemistry, 42 (3). pp. 729-734. ISSN 0020-1669 Full text not archived in this repository. It is advisable to refer to the publisher's version if you intend to cite from this work. See Guidance on citing. To link to this item DOI: 10.1021/ic025884x Abstract/SummaryThallium 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.
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