Cation binding, transport and theoretical calculations of cone-p-tert-butylhexahomotrioxacalix[3]arene tris(acetic acid)

Griffiths, Kieran, Sharma, Kushal, Marcos, Paula M, Ascenso, José R, Nind, Jade, Cottet, Kevin and Cragg, Peter J (2015) Cation binding, transport and theoretical calculations of cone-p-tert-butylhexahomotrioxacalix[3]arene tris(acetic acid). Supramolecular Chemistry, 27 (3). pp. 167-173. ISSN 1061-0278

[img] PDF - Published Version
Restricted to SRO admin only

Download (263kB)

Abstract

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.

Item Type: Article
Schools and Departments: Brighton and Sussex Medical School > Brighton and Sussex Medical School
Depositing User: Kieran Griffiths
Date Deposited: 05 Feb 2015 15:47
Last Modified: 07 Mar 2017 10:13
URI: http://sro.sussex.ac.uk/id/eprint/52815

View download statistics for this item

📧 Request an update