Your browser doesn't support javascript.
loading
Spatial arrangements of cyclodextrin host-guest complexes in solution studied by 13C NMR and molecular modelling.
Lebedinskiy, Konstantin; Barvík, Ivan; Tosner, Zdenek; Císarová, Ivana; Jindrich, Jindrich; Hrdina, Radim.
Afiliación
  • Lebedinskiy K; Department of Organic Chemistry, Faculty of Science, Charles University, Hlavova 8, 128 43 Praha, Czech Republic.
  • Barvík I; Institute of Physics, Faculty of Mathematics and Physics, Charles University, Ke Karlovu 2026/5, 121 16 Praha, Czech Republic.
  • Tosner Z; Department of Organic Chemistry, Faculty of Science, Charles University, Hlavova 8, 128 43 Praha, Czech Republic.
  • Císarová I; Department of Inorganic Chemistry, Faculty of Science, Charles University, Hlavova 8, 128 43 Praha, Czech Republic.
  • Jindrich J; Department of Organic Chemistry, Faculty of Science, Charles University, Hlavova 8, 128 43 Praha, Czech Republic.
  • Hrdina R; Department of Organic Chemistry, Faculty of Science, Charles University, Hlavova 8, 128 43 Praha, Czech Republic.
Beilstein J Org Chem ; 20: 331-335, 2024.
Article en En | MEDLINE | ID: mdl-38410781
ABSTRACT
13C NMR spectroscopic analyses of Cs symmetric guest molecules in the cyclodextrin host cavity, combined with molecular modelling and solid-state X-ray analysis, provides 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 crystallization of host-guest complexes and their crystallographic analysis.
Palabras clave

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Beilstein J Org Chem Año: 2024 Tipo del documento: Article País de afiliación: República Checa

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Beilstein J Org Chem Año: 2024 Tipo del documento: Article País de afiliación: República Checa