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Issue 10, 2010
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A flexible supramolecular host with a crowned chair octameric water cluster and highly selective adsorption properties

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Abstract

A novel supramolecular host {[Fe(CN)6]·(H-bipy)3·8H2O} (1) was obtained by the reaction of K3[Fe(CN)6] and 4,4′-bipyridyl (bipy) under an acidic medium (pH ≈ 3). The supramolecular structure of 1 is made up of non-covalent forces viz. hydrogen bonding and π–π interactions. The host houses a discrete octameric water cluster with the conformation of a 1,4-substituted cyclohexane molecule where six water molecules are positioned on the vertices of the cyclohexane ring and the seventh and eighth occupy the 1,4-equatorial positions of the ring. DFT calculations suggest that this conformation is more stable (−73.08 kcal mol−1) when compared to the a,a conformation. Upon removal of the water molecules, the host network of 1 undergoes a structural transformation and the dehydrated phase exhibits a stepwise uptake of H2O vapour and completely excludes CO2 and other organic solvent molecules (CH3OH, CH3CN and EtOH).

Graphical abstract: A flexible supramolecular host with a crowned chair octameric water cluster and highly selective adsorption properties

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Publication details

The article was received on 23 Nov 2009, accepted on 09 Mar 2010 and first published on 31 Mar 2010


Article type: Paper
DOI: 10.1039/B924511A
Citation: CrystEngComm, 2010,12, 2775-2780
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    A flexible supramolecular host with a crowned chair octameric water cluster and highly selective adsorption properties

    A. Hazra, P. Kanoo, S. Mohapatra, G. Mostafa and T. K. Maji, CrystEngComm, 2010, 12, 2775
    DOI: 10.1039/B924511A

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