Encapsulation and selectivity of sulfate with a furan-based hexaaza macrocyclic receptor in water

Encapsulation and selectivity of sulfate with a furan-based hexaaza macrocyclic receptor in water

A furan-based hexaazamacrocycle encapsulates a sulfate anion in its cavity showing strong affinity and selectivity for sulfate in water over a wide range of inorganic anions. The DFT calculations demonstrate that the receptor provides binding sites as hydrogen bonding donors and electrostatic positi...

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Veröffentlicht in:Organic & biomolecular chemistry 2014-02, Vol.12 (13), p.2045-2048
Hauptverfasser: Rhaman, Md Mhahabubur, Ahmed, Lucky, Wang, Jing, Powell, Douglas R., Leszczynski, Jerzy, Hossain, Md. Alamgir
Format: Artikel
Sprache:eng
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Zusammenfassung:A furan-based hexaazamacrocycle encapsulates a sulfate anion in its cavity showing strong affinity and selectivity for sulfate in water over a wide range of inorganic anions. The DFT calculations demonstrate that the receptor provides binding sites as hydrogen bonding donors and electrostatic positive charges for the strong binding of sulfate.
ISSN:1477-0520
1477-0539
DOI:10.1039/c4ob00116h