Thallium pi-cation complexation by calix[4]tubes: (205)Tl NMR and x-ray evidence.
Thallium cation complexation by calix[4]tubes has been investigated by a combination of (205)Tl, (1)H 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...
Κύριοι συγγραφείς: | , , , , |
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Μορφή: | Journal article |
Γλώσσα: | English |
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2003
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_version_ | 1826278783146000384 |
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author | Matthews, SE Rees, N Felix, V Drew, MG Beer, P |
author_facet | Matthews, SE Rees, N Felix, V Drew, MG Beer, P |
author_sort | Matthews, SE |
collection | OXFORD |
description | Thallium cation complexation by calix[4]tubes has been investigated by a combination of (205)Tl, (1)H 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 pi-cation intermediate. |
first_indexed | 2024-03-06T23:49:07Z |
format | Journal article |
id | oxford-uuid:71fd276f-5fe7-4e10-9292-5b688e8ad28b |
institution | University of Oxford |
language | English |
last_indexed | 2024-03-06T23:49:07Z |
publishDate | 2003 |
record_format | dspace |
spelling | oxford-uuid:71fd276f-5fe7-4e10-9292-5b688e8ad28b2022-03-26T19:47:13ZThallium pi-cation complexation by calix[4]tubes: (205)Tl NMR and x-ray evidence.Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:71fd276f-5fe7-4e10-9292-5b688e8ad28bEnglishSymplectic Elements at Oxford2003Matthews, SERees, NFelix, VDrew, MGBeer, PThallium cation complexation by calix[4]tubes has been investigated by a combination of (205)Tl, (1)H 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 pi-cation intermediate. |
spellingShingle | Matthews, SE Rees, N Felix, V Drew, MG Beer, P Thallium pi-cation complexation by calix[4]tubes: (205)Tl NMR and x-ray evidence. |
title | Thallium pi-cation complexation by calix[4]tubes: (205)Tl NMR and x-ray evidence. |
title_full | Thallium pi-cation complexation by calix[4]tubes: (205)Tl NMR and x-ray evidence. |
title_fullStr | Thallium pi-cation complexation by calix[4]tubes: (205)Tl NMR and x-ray evidence. |
title_full_unstemmed | Thallium pi-cation complexation by calix[4]tubes: (205)Tl NMR and x-ray evidence. |
title_short | Thallium pi-cation complexation by calix[4]tubes: (205)Tl NMR and x-ray evidence. |
title_sort | thallium pi cation complexation by calix 4 tubes 205 tl nmr and x ray evidence |
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