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submitted on 05.07.2020 and posted on 06.07.2020by Kamini A. Mishra, Jasper Adamson, Mario Öeren, Sandra Kaabel, Maria Fomitšenko, Riina Aav
This research with title "Dynamic chiral cyclohexanohemicucurbituril" is dedicated to the memory of late Professor Hans J. Reich.
NMR and DFT studies of chiral
cyclohexanohemicucurbituril indicate that the macrocycle adopts a concave
octagon shape with three distinct ranges of conformational flexibility in
solution. Methylene bridge flipping occurs at temperatures above 265 K, while
urea monomers rotate at
temperatures above 308 K resulting in the loss
of confined space within the macrocycle.