Sodium ion association via bridging water molecules for different charged p-phosphonated calix[4]arene bilayers

Irene Ling, K Iyer, Charles Bond, Alexandre Sobolev, Yatimah Alias, Colin Raston

    Research output: Contribution to journalArticle

    4 Citations (Scopus)

    Abstract

    Cone conformation p-phosphonatocalix[4]arene forms bilayer and columnar arrays with sodium ions clustering above the calixarene cavity involving bridging water molecules, and a molecular 'glue' of either DMF or carbonate ion. The DMF has a methyl group directed into the cavity of the calixarene which takes on a 5-charge, whereas in the carbonate-containing structure the calixarene takes on an 8-charge, with a hydroxyl group coordinated to sodium directed into the cavity. The nature of the interactions in both structures has been probed using Hirshfeld surface analysis.

    Original languageEnglish
    Pages (from-to)8541-8546
    Number of pages6
    JournalCrystEngComm
    Volume14
    Issue number24
    DOIs
    Publication statusPublished - 21 Dec 2012

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