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Dynamic Chiral Cyclohexanohemicucurbit[12]uril

preprint
submitted on 05.07.2020 and posted on 06.07.2020 by Kamini A. Mishra, Jasper Adamson, Mario Öeren, Sandra Kaabel, Maria Fomitšenko, Riina Aav
This research with title "Dynamic chiral cyclohexanohemicucurbit[12]uril" is dedicated to the memory of late Professor Hans J. Reich.

Abstract:
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.

Funding

Adaptable supramolecular chirality sensors

Estonian Research Council

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Functional cavitands for drug discovery and delivery

Estonian Research Council

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ERDF CoE 3.2.0101.08-0017

ERDF CoE 2014- 2020.4.01.15-0013

ERDF CoE TK134

H2020-FETOPEN, 828779 (INITIO)

History

Email Address of Submitting Author

riina.aav@taltech.ee

Institution

Tallinn University of Technology

Country

Estonia

ORCID For Submitting Author

0000-0001-6571-7596

Declaration of Conflict of Interest

No

Version Notes

Research manuscript version 1

Exports