Formation of an inclusion complex of a new transition metal ligand in β-cyclodextrin

Chalermchai Khemtong, Debasish Banerjee, Yubiao Liu, Jouliana M. El Khoury, Peter L. Rinaldi, Jun Hu

Research output: Contribution to journalArticlepeer-review

5 Scopus citations


The inclusion complex of a new transition metal ligand, 2,4,9-trithia-tricyclo[,7]decane-7-carboxylic acid (2,4,9-trithia-adamantane-7-carboxylic acid, TPCOOH) in β-cyclodextrin was studied by 1H NMR, 2D NOESY NMR spectroscopy, host-induced CD spectroscopy, and tandem mass spectrometry. 1H NMR, MS-MS and NOESY data show that the TPCOOH guest forms a 1:1 inclusion complex with the host β-cyclodextrin. The NOESY experiments also show that TPCOOH is oriented in the complex with the thioketal end preferentially located at the larger opening of β-cyclodextrin. The orientation of the guest in the host molecule is also confirmed by the induced CD of the ligand, which shows a positive Cotton effect. An association constant of 660 ± 20 M-1 was determined by 1H NMR titration for the complex at room temperature in D 2O.

Original languageEnglish (US)
Pages (from-to)335-341
Number of pages7
JournalSupramolecular Chemistry
Issue number4
StatePublished - Jun 2005


  • 2,4,9-Trithiaadamantane
  • Association constant
  • Inclusion complex
  • Tripodal transition metal ligand
  • β-Cyclodextrin

ASJC Scopus subject areas

  • Chemistry(all)


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