Charge Localization on Imidazolium Ring upon Complexation with Cucurbit[6]uril

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Authors	KOLMAN Viktor MAREK Radek STŘELCOVÁ Zora KULHÁNEK Petr NEČAS Marek ŠVEC Jan ŠINDELÁŘ Vladimír
Year of publication	2009
Type	Conference abstract
MU Faculty or unit	Faculty of Science
Citation
Description	In this study, we demonstrate the formation of 1:1 inclusion complexes between imidazolium guests and CB6. We describe two different binding modes between CB6 and 1-alkyl-3-methylimidazoliums depending on the length of aliphatic chains of the guests. Unusual chemical shifts for some of the guest protons were recorded in the 1H NMR spectra upon the complexation with CB6. We explain these shifts by the polarization of the guest molecules upon the formation of the complex. While positive charge is located on one of the nitrogen atoms in imidazolium ring due to the interaction with CB6 portal, free electron pair remains on the second nitrogen.
Related projects:	Proteins in metabolism and interaction of organisms with the environment New cucurbit[n]uril derivates Biomolecular centre