Layered Calcium Structures of p-Phosphonic Acid O-Methyl-Calix[6]arene.

Cryst Growth Des

Centre for Strategic Nano-Fabrication, School of Biomedical, Biomolecular and Chemical Sciences, University of Western Australia, 35 Stirling Hwy, Crawley, W.A. 6009, Australia.

Published: July 2010

AI Article Synopsis

  • Hexamethoxy-calix[6]arene was successfully modified with p-phosphonic acid groups, achieving a yield of 57% in three steps.
  • X-ray diffraction confirmed the compound's solid-state structure as either a nitrate salt or two calcium complexes, differing in calcium ion ratios (3:1 or 4:1).
  • Hirshfeld surface analysis revealed significant interactions between the phosphonic acids, hydroxyl groups, and calcium, while MALDI-TOF MS showed the formation of nano-arrays with up to 28 calixarene units.

Article Abstract

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 3D packing. Hirshfeld surface analysis shows extensive O...H and O...Ca interactions for the phosphonic acid moieties in both calcium structures. MALDI-TOF MS of the hexaphosphonic acid shows nano-arrays consisting of up to a maximum of 28 calixarene units.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2906806PMC
http://dx.doi.org/10.1021/cg1003484DOI Listing

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