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Issue 14, 2015
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Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors

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Abstract

Building on previous studies of anion-receptor complexes based on a urea scaffold substituted symmetrically with electron-withdrawing nitro groups, the electron density distribution in an analogous thiourea receptor complex and the related asymmetrically substituted urea and thiourea receptors are described. On this basis it is possible to probe both the effect of changing the receptor core from a urea to a thiourea moiety and that of asymmetrical substitution of the receptor molecule. These modifications are shown to significantly alter the anion binding properties, solid-state packing and electron density distribution in the anion-receptor complexes.

Graphical abstract: Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors

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Publication details

The article was received on 29 Jan 2015, accepted on 25 Feb 2015 and first published on 25 Feb 2015


Article type: Paper
DOI: 10.1039/C5CE00213C
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CrystEngComm, 2015,17, 2815-2826

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    Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors

    I. L. Kirby, M. B. Pitak, C. Wilson, P. A. Gale and S. J. Coles, CrystEngComm, 2015, 17, 2815
    DOI: 10.1039/C5CE00213C

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