Complexation between tert-butyl ketones and β-cyclodextrin. Structural study by NMR and MD simulations

M. Zubiaur, C. Jaime

Research output: Contribution to journalArticleResearchpeer-review

35 Citations (Scopus)

Abstract

A structural study (NMR and MD) of the complexation between tert-butyl ketones and β-cyclodextrin has been performed. A priority order for the alkyl and phenyl groups composing the ketones has been determined based on association constants: Ph- > C6H11- = t-Bu- > Bu-, Pr-, Me-. Geometries for the complexes are proposed based on NOE values and on the MD simulations. Bimodal complexation occurs in all the compounds studied.
Original languageEnglish
Pages (from-to)8139-8145
JournalJournal of Organic Chemistry
Volume65
Issue number24
DOIs
Publication statusPublished - 1 Dec 2000

Fingerprint Dive into the research topics of 'Complexation between tert-butyl ketones and β-cyclodextrin. Structural study by NMR and MD simulations'. Together they form a unique fingerprint.

  • Cite this