Spatial Arrangements of Cyclodextrin Host-Guest Complexes in Solution Studied by 13C-NMR and Molecular Modelling

Submitting author affiliation:
Charles University, Praha, Czech Republic

Beilstein Arch. 2023, 202364.

Published 21 Dec 2023

cc-by Logo


13C-NMR spectroscopic analyses of Cs symmetric guest molecules in the cyclodextrin host cavity, combined with molecular modelling and solid-state X-ray analysis, provide a detailed description of the spatial arrangement of cyclodextrin host-guest complexes in solution.  The chiral cavity of the cyclodextrin molecule creates an anisotropic environment for the guest molecule resulting in a splitting of its prochiral carbon signals in 13C-NMR spectra.  This signal split can be correlated to the distance of the guest atoms from the wall of the host cavity and to the spatial separation of binding sites preferred by pairs of prochiral carbon atoms.  These measurements complement traditional solid-state analyses, which rely on the crystallisation of host-guest complexes and their crystallographic analysis.

Keywords: Anisotropy; cyclodextrin; host guest complexes; 13C-NMR

Supporting Information

Format: DOCX Size: 33.2 MB   Download

How to Cite

When a peer-reviewed version of this preprint is available, this information will be updated in the information box above. If no peer-reviewed version is available, please cite this preprint using the following information:

Lebedinskiy, K.; Barvík, I.; Tošner, Z.; Císařová, I.; Jindřich, J.; Hrdina, R. Beilstein Arch. 2023, 202364. doi:10.3762/bxiv.2023.64.v1

Download Citation

Citation data can be downloaded as file using the "Download" button or used for copy/paste from the text window below.
Citation data in RIS format can be imported by all major citation management software, including EndNote, ProCite, RefWorks, and Zotero.