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

Research output: Contribution to Journal/Magazine › Journal article › peer-review

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Cation binding, transport and theoretical calculations of cone-p-tert-butylhexahomotrioxacalix[3]arene tris(acetic acid). / Griffiths, Kieran; Sharma, Kushal; Marcos, Paula M. et al.
In: Supramolecular Chemistry, Vol. 27, No. 3, 04.03.2015, p. 167-173.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Griffiths, K, Sharma, K, Marcos, PM, Ascenso, JR, Nind, J, Cottet, K & Cragg, PJ 2015, 'Cation binding, transport and theoretical calculations of cone-p-tert-butylhexahomotrioxacalix[3]arene tris(acetic acid)', Supramolecular Chemistry, vol. 27, no. 3, pp. 167-173. https://doi.org/10.1080/10610278.2014.918269

APA

Griffiths, K., Sharma, K., Marcos, P. M., Ascenso, J. R., Nind, J., Cottet, K., & Cragg, P. J. (2015). Cation binding, transport and theoretical calculations of cone-p-tert-butylhexahomotrioxacalix[3]arene tris(acetic acid). Supramolecular Chemistry, 27(3), 167-173. https://doi.org/10.1080/10610278.2014.918269

Vancouver

Griffiths K, Sharma K, Marcos PM, Ascenso JR, Nind J, Cottet K et al. Cation binding, transport and theoretical calculations of cone-p-tert-butylhexahomotrioxacalix[3]arene tris(acetic acid). Supramolecular Chemistry. 2015 Mar 4;27(3):167-173. doi: 10.1080/10610278.2014.918269

Author

Griffiths, Kieran ; Sharma, Kushal ; Marcos, Paula M. et al. / Cation binding, transport and theoretical calculations of cone-p-tert-butylhexahomotrioxacalix[3]arene tris(acetic acid). In: Supramolecular Chemistry. 2015 ; Vol. 27, No. 3. pp. 167-173.

Bibtex

@article{cbf4ade43e844f2aae0f1ace6a08f819,
title = "Cation binding, transport and theoretical calculations of cone-p-tert-butylhexahomotrioxacalix[3]arene tris(acetic acid)",
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.",
keywords = "calixarenes, cation binding, homooxacalix[3]arenes, NMR titrations, PM6, transport studies",
author = "Kieran Griffiths and Kushal Sharma and Marcos, {Paula M.} and Ascenso, {Jos{\'e} R.} and Jade Nind and Kevin Cottet and Cragg, {Peter J.}",
year = "2015",
month = mar,
day = "4",
doi = "10.1080/10610278.2014.918269",
language = "English",
volume = "27",
pages = "167--173",
journal = "Supramolecular Chemistry",
issn = "1061-0278",
publisher = "Taylor & Francis",
number = "3",

}

RIS

TY - JOUR

T1 - Cation binding, transport and theoretical calculations of cone-p-tert-butylhexahomotrioxacalix[3]arene tris(acetic acid)

AU - Griffiths, Kieran

AU - Sharma, Kushal

AU - Marcos, Paula M.

AU - Ascenso, José R.

AU - Nind, Jade

AU - Cottet, Kevin

AU - Cragg, Peter J.

PY - 2015/3/4

Y1 - 2015/3/4

N2 - 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.

AB - 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.

KW - calixarenes

KW - cation binding

KW - homooxacalix[3]arenes

KW - NMR titrations

KW - PM6

KW - transport studies

U2 - 10.1080/10610278.2014.918269

DO - 10.1080/10610278.2014.918269

M3 - Journal article

AN - SCOPUS:84921322266

VL - 27

SP - 167

EP - 173

JO - Supramolecular Chemistry

JF - Supramolecular Chemistry

SN - 1061-0278

IS - 3

ER -