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Cation binding, transport and theoretical calculations of cone-p-tert-butylhexahomotrioxacalix[3]arene tris(acetic acid)
journal contribution
posted on 2023-06-08, 19:58 authored by Kieran Griffiths, Kushal Sharma, Paula M Marcos, José R Ascenso, Jade Nind, Kevin Cottet, Peter J CraggThe metal cation binding ability of cone-p-tert-butylhexahomotrioxacalix[3]arene tris(acetic acid) was investigated by 1H NMR and complementary semi-empirical calculations. NMR showed significant shifts with Na+, K+, Ag+ and, to a lesser extent, Pb2+. The macrocyclic protons undergoing the greatest shifts imply that these cations bind inside the cavity composed of the phenoxy and carbonyl oxygen atoms. Metal complexes were modelled using a semi-empirical approach and, in general, their geometry optimised structures were in agreement with NMR data. U-tube transport experiments demonstrated that the macrocycle actively transported Cr3+, Fe3+, Co2+ and Cu2+ through the organic phase.
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Publication status
- Published
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- Published version
Journal
Supramolecular ChemistryISSN
1061-0278Publisher
Taylor & FrancisExternal DOI
Issue
3Volume
27Page range
167-173Department affiliated with
- BSMS Publications
Full text available
- No
Peer reviewed?
- Yes
Legacy Posted Date
2015-02-05First Compliant Deposit (FCD) Date
2015-02-05Usage metrics
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