Electrolyte Solvation and Ionic Association: Part IX. Structures and Raman Spectroscopic Characterization of LiFSI Solvates

Sang Don Han, Roger D. Sommer, Paul D. Boyle, Zhi Bin Zhou, Victor G. Young, Oleg Borodin, Wesley A. Henderson

Research output: Contribution to journalArticlepeer-review

1 Scopus citations


The bis(fluorosulfonyl)imide anion N(SO2F)2 (i.e., FSI) (also referred to as bis(fluorosulfonyl)amide (i.e., FSA) and imidodi(sulphuryl fluoride)) has attracted tremendous interest in recent years for its utility in both lithium salts and ionic liquids for battery electrolyte applications. To facilitate the understanding of the characteristics of this anion, crystal structures are reported here for the uncoordinated anion in LiFSI-based solvates with cryptand CRYPT-222 and tetraglyme (G4). These crystalline solvates were analyzed by Raman spectroscopy to aid in assigning the Raman bands to the modes of ion coordination found in liquid electrolytes. These structures, as well as a thorough review of other relevant crystallographic data, provide insights into the rather remarkable properties of the FSI anion with regard to solvate formation and electrolyte properties.

Original languageEnglish (US)
Article number110544
JournalJournal of the Electrochemical Society
Issue number11
StatePublished - Nov 2022
Externally publishedYes

Bibliographical note

Funding Information:
The authors wish to express their gratitude to the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering which supported the experimental research (DE-SC0002169). Additional financial support for this work by the U.S. Department of the Army and the DEVCOM Army Research Laboratory (ARL) is gratefully acknowledged.

Publisher Copyright:
© 2022 The Electrochemical Society (“ECS”). Published on behalf of ECS by IOP Publishing Limited.


  • LiFSI
  • Raman
  • bis(fluorosulfonyl)imide
  • crystal structure
  • solvate


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