Thallium pi-cation complexation by calix[4]tubes: Tl-205 NMR and X-ray evidence

Matthews, Susan E. ORCID: https://orcid.org/0000-0001-8821-0851, Rees, Nicholas H., Felix, Vitor, Drew, Michael G. B. and Beer, Paul 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

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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.

Item Type:	Article
Uncontrolled Keywords:	ethers,calix<4>arenes,ion,silver,calixarenes,selectivity,coordination,alkali,cesium,non-aqueous solutions
Faculty \ School:	Faculty of Science > School of Pharmacy
UEA Research Groups:	Faculty of Science > Research Groups > Medicinal Chemistry (former - to 2017) Faculty of Science > Research Groups > Chemical Biology and Medicinal Chemistry (former - to 2021)
Depositing User:	Rachel Smith
Date Deposited:	26 May 2011 10:54
Last Modified:	05 May 2024 00:43
URI:	https://ueaeprints.uea.ac.uk/id/eprint/31448
DOI:	10.1021/ic025884x

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