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Cs[Tf2N]: a second polymorph with a layered structure.

Jared T Stritzinger1, Janelle E Droessler1, Brian L Scott1

  • 1Materials Physics and Applications Division, Associate Directorate for Experimental Physical Sciences, Los Alamos National Laboratory, Los Alamos, New Mexico, 87545, USA.

Acta Crystallographica. Section E, Crystallographic Communications
|May 17, 2018
PubMed
Summary
This summary is machine-generated.

A new crystal form of caesium bis-trifluoromethanesulfonylimide (Cs[Tf2N]) was discovered. This ionic liquid polymorph exhibits a distinct monoclinic P21/c symmetry and a layered structure, differing from the previously known form.

Keywords:
bis­triflimidecrystal structureionic liquidlayered structure

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Area of Science:

  • Materials Science
  • Crystallography
  • Ionic Liquids

Background:

  • Ionic liquids (ILs) are salts that are liquid at low temperatures, with applications in various fields.
  • Caesium bis-trifluoromethanesulfonylimide (Cs[Tf2N]) is an important ionic liquid with a known crystalline polymorph.
  • Polymorphism in ionic liquids can significantly affect their physical and chemical properties.

Purpose of the Study:

  • To determine the crystal structure of a newly identified polymorph of caesium bis-trifluoromethanesulfonylimide (Cs[Tf2N]).
  • To compare the structural characteristics of the new polymorph with the previously known form.
  • To understand the packing and coordination in the Cs[Tf2N] layered structure.

Main Methods:

  • Single-crystal X-ray diffraction at 120 K.
  • Structural analysis and comparison with existing crystallographic data.
  • Determination of crystallographic symmetry and layer orientation.

Main Results:

  • A second polymorph of Cs[Tf2N] was identified, crystallizing in a layered structure.
  • The new polymorph exhibits monoclinic *P*21/*c* symmetry, distinct from the *C*2/*c* symmetry of the known polymorph.
  • Caesium ions are coordinated by sulfonyl groups, with trifluoromethyl groups forming non-polar surfaces between layers oriented along the (100) direction.

Conclusions:

  • The discovery of a second polymorph highlights the structural diversity of Cs[Tf2N].
  • The distinct crystal symmetry and layered arrangement offer insights into the solid-state behavior of this ionic liquid.
  • Understanding these structural variations is crucial for tailoring ionic liquid properties for specific applications.