Liquid structure of the ionic liquid 1,3-dimethylimidazolium bis{(trifluoromethyl)sulfonyl}amide

Maggel Deetlefs, Christopher Hardacre, Mark Nieuwenhuyzen, Agilio A H Padua, Oonagh Sheppard, Alan K. Soper

    Research output: Contribution to journalArticlepeer-review


    Neutron diffraction has been used to determine the liquid structure of 1,3-dimethylimidazolium bis{(trifluoromethyl)sulfonyl}amide ([dmim][NTf 2]). Significantly smaller charge ordering is found in this liquid compared with analogous chloride and hexafluorophosphate salts due to the diffuse charge density and size of the [NTf2]- anion. This is manifested in a much larger cation-cation and cation-anion separation and an overlap of the cation-cation and cation-anion shells. Comparison of the liquid structure with the crystal structure reported by Holbrey et al. (Dalton Trans. 2004, 2267) indicates little correlation, for example, the [NTf 2]- anion adopts a trans orientation predominantly in the liquid whereas a cis orientation is found in the solid phase.

    Original languageEnglish
    Pages (from-to)12055-12061
    Number of pages7
    JournalThe Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical
    Issue number24
    Publication statusPublished - 22 Jun 2006


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