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

doi:10.1021/jp060924u

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

^*Corresponding author for this work

Queen's University Belfast
CNRS/Université Blaise Pascal
Rutherford Appleton Laboratory

Research output: Contribution to journal › Article › peer-review

Abstract

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 language	English
Pages (from-to)	12055-12061
Number of pages	7
Journal	The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical
Volume	110
Issue number	24
DOIs	https://doi.org/10.1021/jp060924u
Publication status	Published - 22 Jun 2006

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@article{ad6743c7b31e4b7ab454c34f0e18eb9f,

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][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.",

author = "Maggel Deetlefs and Christopher Hardacre and Mark Nieuwenhuyzen and Padua, \{Agilio A H\} and Oonagh Sheppard and Soper, \{Alan K.\}",

year = "2006",

month = jun,

day = "22",

doi = "10.1021/jp060924u",

language = "English",

volume = "110",

pages = "12055--12061",

journal = "The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces \& Biophysical",

issn = "1520-6106",

publisher = "American Chemical Society",

number = "24",

}

Liquid structure of the ionic liquid 1,3-dimethylimidazolium bis{(trifluoromethyl)sulfonyl}amide. / Deetlefs, Maggel; Hardacre, Christopher; Nieuwenhuyzen, Mark et al.
In: The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 110, No. 24, 22.06.2006, p. 12055-12061.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Liquid structure of the ionic liquid 1,3-dimethylimidazolium bis{(trifluoromethyl)sulfonyl}amide

AU - Deetlefs, Maggel

AU - Hardacre, Christopher

AU - Nieuwenhuyzen, Mark

AU - Padua, Agilio A H

AU - Sheppard, Oonagh

AU - Soper, Alan K.

PY - 2006/6/22

Y1 - 2006/6/22

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/33745818399

U2 - 10.1021/jp060924u

DO - 10.1021/jp060924u

M3 - Article

AN - SCOPUS:33745818399

SN - 1520-6106

VL - 110

SP - 12055

EP - 12061

JO - The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical

JF - The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical

IS - 24

ER -

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

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