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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 Cragg
The 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.

History

Publication status

  • Published

File Version

  • Published version

Journal

Supramolecular Chemistry

ISSN

1061-0278

Publisher

Taylor & Francis

Issue

3

Volume

27

Page range

167-173

Department affiliated with

  • BSMS Publications

Full text available

  • No

Peer reviewed?

  • Yes

Legacy Posted Date

2015-02-05

First Compliant Deposit (FCD) Date

2015-02-05

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