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

Irene Ling, K. Swaminathan Iyer, Charles S. Bond, Alexandre N. Sobolev, Yatimah Alias, Colin L. Raston

Research output: Contribution to journalArticleResearchpeer-review

5 Citations (Scopus)


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
Issue number24
Publication statusPublished - 21 Dec 2012
Externally publishedYes

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