NMR study of the inclusion complex formed between γ‐cyclodextrin and TmDOTP5−

A. Dean Sherry, Ryszard Zarzycki, Carlos F G C Geraldes

Research output: Contribution to journalArticlepeer-review

19 Scopus citations


The host–guest complex formed in aqueous solution between γ‐cyclodextrin (γ‐CD) and the macrocyclic paramagnetic shift reagent TmDOTP5− was examined by NMR spectroscopy. Paramagnetic lanthanide‐induced shifts (LIS) and spin‐lattice relaxation rate enhancements in the proton resonances of γ‐CD on binding of TmDOTP5− were used to define the position of the guest anion within the host cavity. A proportionality constant which relates pseudo‐contact shifts induced by TmDOTP5− to the geometrical position of each ligand nucleus (previously determined from a LIS study of the TmDOTP5− complex) was used to determine a fully bound LIS value for each γ‐CD proton. These values, in combination with experimental LIS data from TmDOTP5− titrations at constant γ‐CD concentration, were then used to obtain the association constant for the host‐guest complex (3.9–4.5 mol l−1). These constants were indicative of a weak host‐guest interaction and consistent with the location of the TmDOTP5− binding site reported by the LIS values well above the center of the γ‐CD cavity.

Original languageEnglish (US)
Pages (from-to)361-365
Number of pages5
JournalMagnetic Resonance in Chemistry
Issue number6
StatePublished - 1994


  • H NMR
  • Host‐guest complex
  • Lanthanide‐induced NMR shifts
  • γ‐Cyclodextrin‐paramagnetic anion complex

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)


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