Layered calcium structures of p-phosphonic acid o-methyl-calix[6]arene

Thomas E. Clark, Adam Martin, Mohamed Makha, Alexandre N. Sobolev, Dian Su, Henry W. Rohrs, Michael L. Gross, Colin L. Raston

Research output: Contribution to journalArticlepeer-review

15 Citations (Scopus)


Hexamethoxy-calix[6]arene has been fully functionalized with p-phosphonic acid groups on the upper rim in 57% yield over three steps and has been authenticated in the solid state by X-ray diffraction as either a nitrate salt or one of two calcium complexes. The latter differ by the ratio of calcium ions per calixarene, either 3:1 or 4:1. In both structures, the coordination sphere of the calcium ions is made up of oxygen atoms from the phosphonic acid groups and from water of crystallization, as part of extended polymeric layers in the extended three-dimensional packing. Hirshfeld surface analysis shows
extensive O•••H and O•••Ca interactions for the phosphonic acid moieties in both calcium structures. Matrix assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF-MS) of the hexaphosphonic acid shows nanoarrays consisting of up to a maximum of 28 calixarene units.
Original languageEnglish
Pages (from-to)3211-3217
Number of pages7
JournalCrystal Growth and Design
Issue number7
Publication statusPublished - 2010
Externally publishedYes


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