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 language | English |
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Pages (from-to) | 8541-8546 |
Number of pages | 6 |
Journal | CrystEngComm |
Volume | 14 |
Issue number | 24 |
DOIs | |
Publication status | Published - 21 Dec 2012 |