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

Maggel Deetlefs, Christopher Hardacre, Mark Nieuwenhuyzen, A.A.H. Padua, O. Sheppard, A.K. Soper

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208 Citations (Scopus)


Neutron diffraction has been used to determine the liquid structure of 1,3-dimethylimidazolium bis{( trifluoromethyl) sulfonyl} amide ([dmim][NTf2]). 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 [NTf2](-) 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
JournalJournal of Physical Chemistry B
Volume110 (24)
Issue number24
Publication statusPublished - 22 Jun 2006

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry


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