Dynamic Chiral Cyclohexanohemicucurbit[12]uril

Abstract

<jats:p>&lt;div&gt;This research with title "Dynamic chiral cyclohexanohemicucurbit[12]uril" is&lt;i&gt; dedicated to the memory of late Professor Hans J. Reich.&lt;/i&gt;&lt;/div&gt;&lt;div&gt;&lt;i&gt;&lt;br&gt;&lt;/i&gt;&lt;/div&gt;&lt;div&gt;&lt;i&gt;Abstract:&lt;/i&gt;&lt;/div&gt;NMR and DFT studies of chiral cyclohexanohemicucurbit[12]uril 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.</jats:p>