Dynamic chiral cyclohexanohemicucurbit[12]uril

Kamini A. Mishra, Jasper Adamson, Mario Öeren, Sandra Kaabel, Maria Fomitšenko, Riina Aav

Research output: Contribution to journalArticleScientificpeer-review

4 Citations (Scopus)


NMR spectroscopy and DFT modeling studies of chiral cyclohexanohemicucurbit[12]uril indicate that the macrocycle adopts a concave octagonal shape with two distinct conformational flexibilities 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.

Original languageEnglish
Pages (from-to)14645-14648
Number of pages4
JournalChemical Communications
Issue number93
Publication statusPublished - 4 Dec 2020
MoE publication typeA1 Journal article-refereed


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