Publication details

Supramolecular Interaction of Modified Cucurbit[6]uril

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KHAN Muhammad Shamsul Azim HEGER Dominik NEČAS Marek ŠINDELÁŘ Vladimír

Year of publication 2009
Type Conference abstract
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Faculty of Science

Description A robust modified synthetic macrocyclic cavitand hexamethylated cucurbit[6]uril (MeCB6) was prepared1, purified and characterized by NMR, MALDI-TOF MS and X-ray single crystal diffraction. The parent cucurbit[6]uril is a macrocyclic hollow barrel having six glycoluril units connected by twelve methylene bridges2. High solubility of MeCB6 in pure water allowed us to study its supramolecular interactions with guests such as acetone and methylviologen (MeV2+) in solution and also in solid state. We found that acetone forms an inclusion complex with MeCB6. We were able to determine the crystal structure of the complex and found that acetone remains inside the host cavity also in aqueous solution. We determined binding mode of MeV2+ - MeCB6 complex in solution and measured association constant of the complex. The crystal structure of MeV2+ - MeCB6 (see Figure 1) is also discussed.
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