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Issue 44, 2014
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Complexation mechanism of cucurbit[6]uril with hexamethylene diammonium cations in saline solution

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Abstract

Binding of cucurbit[6]uril (CB[6]) with the hexamethylene diammonium cation (HD2+) in the presence of sodium ions is elucidated at the atomic level. The most probable complex of CB[6] in saline solution is found to be CB[6]:Na+. A two-stage binding process of CB[6]:Na+ with HD2+ is proposed.

Graphical abstract: Complexation mechanism of cucurbit[6]uril with hexamethylene diammonium cations in saline solution

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Publication details

The article was received on 18 Sep 2014, accepted on 03 Oct 2014 and first published on 06 Oct 2014


Article type: Communication
DOI: 10.1039/C4CP04200J
Author version available: Download Author version (PDF)
Citation: Phys. Chem. Chem. Phys., 2014,16, 24169-24172
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    Complexation mechanism of cucurbit[6]uril with hexamethylene diammonium cations in saline solution

    P. Liu, X. Shao, C. Chipot and W. Cai, Phys. Chem. Chem. Phys., 2014, 16, 24169
    DOI: 10.1039/C4CP04200J

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