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

doi:10.1149/1945-7111/ac9a07

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 journal › Article › peer-review

19 Scopus citations

Abstract

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 language	English (US)
Article number	110544
Journal	Journal of the Electrochemical Society
Volume	169
Issue number	11
DOIs	https://doi.org/10.1149/1945-7111/ac9a07
State	Published - Nov 2022
Externally published	Yes

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.

Keywords

LiFSI
Raman
bis(fluorosulfonyl)imide
crystal structure
solvate

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10.1149/1945-7111/ac9a07

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

abstract = "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.",

keywords = "LiFSI, Raman, bis(fluorosulfonyl)imide, crystal structure, solvate",

author = "Han, \{Sang Don\} and Sommer, \{Roger D.\} and Boyle, \{Paul D.\} and Zhou, \{Zhi Bin\} and Young, \{Victor G.\} and Oleg Borodin and Henderson, \{Wesley A.\}",

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: {\textcopyright} 2022 The Electrochemical Society ({\textquotedblleft}ECS{\textquotedblright}). Published on behalf of ECS by IOP Publishing Limited.",

year = "2022",

month = nov,

doi = "10.1149/1945-7111/ac9a07",

language = "English (US)",

volume = "169",

journal = "Journal of the Electrochemical Society",

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T1 - Electrolyte Solvation and Ionic Association

T2 - Part IX. Structures and Raman Spectroscopic Characterization of LiFSI Solvates

AU - Han, Sang Don

AU - Sommer, Roger D.

AU - Boyle, Paul D.

AU - Zhou, Zhi Bin

AU - Young, Victor G.

AU - Borodin, Oleg

AU - Henderson, Wesley A.

N1 - 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.

PY - 2022/11

Y1 - 2022/11

N2 - 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.

AB - 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.

KW - LiFSI

KW - Raman

KW - bis(fluorosulfonyl)imide

KW - crystal structure

KW - solvate

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DO - 10.1149/1945-7111/ac9a07

M3 - Article

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ER -

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

Abstract

Bibliographical note

Keywords

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