title: Liquid structure of the ionic liquid 1,3-dimethylimidazolium bis[(trifluoromethyl)sulfonyl]amide.
abstract: 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.
authors.affiliation: School of Chemistry and Chemical Engineering, The QUILL Centre, Queen's University Belfast, Belfast BT9 5AG, United Kingdom.
authors.forename: Maggel
authors.initials: M
authors.lastname: Deetlefs
authors.forename: Christopher
authors.initials: C
authors.lastname: Hardacre
authors.forename: Mark
authors.initials: M
authors.lastname: Nieuwenhuyzen
authors.forename: Agilio A H
authors.initials: AA
authors.lastname: Padua
authors.forename: Oonagh
authors.initials: O
authors.lastname: Sheppard
authors.forename: Alan K
authors.initials: AK
authors.lastname: Soper
mesh_terms: D018360:Crystallography, X-Ray; D007093:Imidazoles / Q000737:chemistry*; D007477:Ions; D008958:Models, Molecular; D015394:Molecular Structure; D013449:Sulfonamides / Q000737:chemistry
chemical_list: C516814:1,3-dimethylimidazolium; D007093:Imidazoles; D007477:Ions; D013449:Sulfonamides