Neutron diffraction, NMR and molecular dynamics study of glucose dissolved in the ionic liquid 1-ethyl-3-methylimidazolium acetate

Tristan Youngs, John Holbrey, Claire Mullan, Sarah Norman, Cristina Lagunas-Castedo, C. D'Agostino, M.D. Mantle, L.F. Gladden, D.T. Bowron, Christopher Hardacre

Research output: Contribution to journalArticle

103 Citations (Scopus)

Abstract

beta-D-glucose dissolved in the ionic liquid 1-ethyl-3-methylimidazolium acetate in a 6 : 1 molar ratio (ionic liquid : glucose) has been studied by neutron scattering, NMR and molecular dynamics simulations. Good agreement was found between simulated neutron scattering profiles generated for isotopically substituted liquid systems and those experimentally determined as well as between simulated and experimental diffusion coefficients obtained by Pulsed Field Gradient NMR spectroscopy. The overriding glucose-ionic liquid interactions in the liquid are hydrogen-bonding between acetate oxygens and sugar hydroxyl groups. The ionic liquid cation was found to play only a minor role in the solvation of the sugar and does not participate in hydrogen-bonding with the sugar to any significant degree. NOESY experiments lend further evidence that there is no direct interaction between sugar hydroxyl groups and acidic hydrogens on the ionic liquid cation.
Original languageEnglish
Pages (from-to)1594-1605
Number of pages12
JournalChemical Science
Volume2
Issue number8
DOIs
Publication statusPublished - Aug 2011

ASJC Scopus subject areas

  • Chemistry(all)

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  • Activities

    • 1 Participation in conference
    • 1 Invited talk

    Gordon research Conference on Ionic Liquids

    John Holbrey (Invited speaker)

    2016

    Activity: Participating in or organising an event typesParticipation in conference

    Invited Departmental Seminar, UCD. Title "Cellulose + ionic liquids"

    John Holbrey (Member)

    07 Nov 2012

    Activity: Talk or presentation typesInvited talk

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