NMR spectra and dynamics of the sodium salt of per(6-thiobenzoic acid)-gamma-cyclodextrin

K S Cameron, L Fielding, R Palin, D Uhrin

Research output: Contribution to journalArticlepeer-review

Abstract / Description of output

The solution-state NMR spectra of a per-6-substituted gamma-cyclodextrin show some interesting dynamic properties. At high temperature (353 K), the H-1 NMR spectrum shows dynamic averaging of the different conformations. This averaging is no longer observed on cooling of the cyclodextrin solution to 278 K, resulting in NMR spectra with a large H-1 and C-13 chemical shift dispersion. The complete assignment of the eight unique glucosyl residues was achieved using COSY, HSQC and exchange spectroscopy. A ROESY spectrum, with a short mixing time to reduce the effects of exchange, gives correlations that lead to the determination of the connectivity of all eight glucosyl residues. On the NMR time-scale, the cyclodextrin is highly dynamic; the lower temperature minimum energy conformation has one of the aromatic rings self-complexed and a distorted cyclodextrin torus. Copyright (c) 2005 John Wiley & Sons, Ltd.

Original languageEnglish
Pages (from-to)647-653
Number of pages7
JournalMagnetic Resonance in Chemistry
Volume43
Issue number8
DOIs
Publication statusPublished - Aug 2005

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