Crystal structures of polymerized lithium chloride and dimethyl sulfoxide in the form of {2LiCl·3DMSO} n and {LiCl·DMSO} n

Nichole R Valdez; David J Herman; Martin B Nemer; Mark A Rodriguez; Eric Allcorn

doi:10.1107/S2056989022011896

Crystal structures of polymerized lithium chloride and dimethyl sulfoxide in the form of {2LiCl·3DMSO} _n and {LiCl·DMSO} _n

Acta Crystallogr E Crystallogr Commun. 2023 Jan 1;79(Pt 1):33-37. doi: 10.1107/S2056989022011896.

Authors

Nichole R Valdez¹, David J Herman¹, Martin B Nemer¹, Mark A Rodriguez¹, Eric Allcorn¹

Affiliation

¹ Sandia National Laboratories, 1515 Eubank Blvd. SE, Albuquerque, NM 87123, USA.

Abstract

Two novel LiCl·DMSO polymer structures were created by combining dry LiCl salt with dimethyl sulfoxide (DMSO), namely, catena-poly[[chlorido-lithium(I)]-μ-(dimethyl sulfoxide)-κ² O:O-[chlorido-lithium(I)]-di-μ-(dimethyl sulfoxide)-κ⁴ O:O], [Li₂Cl₂(C₂H₆OS)₃] _n , and catena-poly[lithium(I)-μ-chlorido-μ-(dimethyl sulfoxide)-κ² O:O], [LiCl(C₂H₆OS)] _n . The initial synthesized phase had very small block-shaped crystals (<0.08 mm) with monoclinic symmetry and a 2 LiCl: 3 DMSO ratio. As the solution evaporated, a second phase formed with a plate-shaped crystal morphology. After about 20 minutes, large (>0.20 mm) octa-hedron-shaped crystals formed. The plate crystals and the octa-hedron crystals are the same tetra-gonal structure with a 1 LiCl: 1 DMSO ratio. These structures are reported and compared to other known LiCl·solvent compounds.

Keywords: DMSO; LiCl; crystal structure; polymer.