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

Susan E. Matthews; Nicholas H. Rees; Vitor Felix; Michael G. B. Drew; Paul D. Beer

doi:10.1021/ic025884x

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

Susan E. Matthews, Nicholas H. Rees, Vitor Felix, Michael G. B. Drew, Paul D. Beer

Research output: Contribution to journal › Article › peer-review

46 Citations (Scopus)

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
Pages (from-to)	729-734
Number of pages	6
Journal	Inorganic Chemistry
Volume	42
Issue number	3
DOIs	https://doi.org/10.1021/ic025884x
Publication status	Published - 2003

Keywords

ETHERS
CALIX<4>ARENES
ION
SILVER
CALIXARENES
SELECTIVITY
COORDINATION
ALKALI
CESIUM
NON-AQUEOUS SOLUTIONS

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10.1021/ic025884x

Cite this

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

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.",

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author = "Matthews, {Susan E.} and Rees, {Nicholas H.} and Vitor Felix and Drew, {Michael G. B.} and Beer, {Paul D.}",

year = "2003",

doi = "10.1021/ic025884x",

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journal = "Inorganic Chemistry",

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publisher = "American Chemical Society",

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T1 - Thallium pi-cation complexation by calix[4]tubes: Tl-205 NMR and X-ray evidence

AU - Matthews, Susan E.

AU - Rees, Nicholas H.

AU - Felix, Vitor

AU - Drew, Michael G. B.

AU - Beer, Paul D.

PY - 2003

Y1 - 2003

N2 - 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.

AB - 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.

KW - ETHERS

KW - CALIX<4>ARENES

KW - ION

KW - SILVER

KW - CALIXARENES

KW - SELECTIVITY

KW - COORDINATION

KW - ALKALI

KW - CESIUM

KW - NON-AQUEOUS SOLUTIONS

U2 - 10.1021/ic025884x

DO - 10.1021/ic025884x

M3 - Article

SN - 0020-1669

VL - 42

SP - 729

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JO - Inorganic Chemistry

JF - Inorganic Chemistry

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ER -