Journal
CHEMICAL PHYSICS LETTERS
Volume 388, Issue 1-3, Pages 164-169Publisher
ELSEVIER
DOI: 10.1016/j.cplett.2004.02.098
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When crystallised from water/acetone mixtures, calix[4]hydroquinone (CHQ) forms supramolecular nanotubes which we studied by NMR spectroscopy and DFT calculations, using the H-1 and - for the first time - H-2 chemical-shift resolution achievable in the solid state under fast (30 kHz) magic-angle spinning. Acetone molecules are trapped in the bowl-shaped CHQ molecules inside the tubes and hydrogen-bonded to an extended chain of hydrogen bonds, which is formed by CHQ and water molecules along the tube axis. Both water and acetone molecules occupy well-defined average positions, but undergo fast reorientation motions during which their protons interchange their positions. (C) 2004 Elsevier B.V. All rights reserved.
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