Lithium hexafluorophosphate

Names
IUPAC name

lithium hexafluorophosphate

Identifiers

CAS Number

* 21324-40-3 Y

3D model (JSmol)

* Interactive image

ChEBI |

* CHEBI:172376

ChemSpider |

* 146939 Y

PubChem CID

* 23688915

UNII |

* T9T8DY51J3 Y

InChI

* InChI=1S/F6P.Li/c1-7(2,3,4,5)6;/q-1;+1 Y

Key: AXPLOJNSKRXQPA-UHFFFAOYSA-N Y

* InChI=1/F6P.Li/c1-7(2,3,4,5)6;/q-1;+1

Key: AXPLOJNSKRXQPA-UHFFFAOYAJ

SMILES

* [Li+].F[P-](F)(F)(F)(F)F

Properties

Chemical formula

| LiPF6
Molar mass | 151.905 g/mol
Appearance  | white powder
Density | 2.84 g/cm3
Melting point |  200 °C (392 °F; 473 K)

Solubility in water

| soluble
Hazards
Safety data sheet | External MSDS
GHS pictograms |
GHS Signal word | DANGER

GHS hazard statements

| H314

GHS precautionary statements

| P280, P310, P305+351+338
Flash point | Non-flammable
Related compounds

Other anions

| Lithium tetrafluoroborate

Other cations

| Sodium hexafluorophosphate
Potassium hexafluorophosphate
Ammonium hexafluorophosphate

Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

N verify (what is YN ?)
Infobox references

Tracking categories (test):

* SizeSet

Lithium hexafluorophosphate is an inorganic compound with the formula LiPF6. It is a white crystalline powder.

## Contents

* 1 Production
* 2 Chemistry
* 3 Application
* 4 References

## Production

LiPF6 is manufactured by reacting phosphorus pentachloride with hydrogen fluoride and lithium fluoride[1] [2]

PCl5 \+ LiF + 5 HF → LiPF6 \+ 5 HCl

Suppliers include Targray and Morita Chemical Industries Co., Ltd

## Chemistry

The salt is relatively stable thermally, but loses 50% weight at 200 °C (392 °F). It hydrolyzes near 70 °C (158 °F)[3] according to the following equation forming highly toxic HF gas:

LiPF6 \+ 4 H2O → LiF + 5 HF + H3PO4

Owing to the Lewis acidity of the Li+ ions, LiPF6 also catalyses the tetrahydropyranylation of tertiary alcohols.[4]

In lithium-ion batteries, LiPF6 reacts with Li2CO3, which may be catalysed by small amounts of HF:[5]

LiPF6 \+ Li2CO3 → POF3 \+ CO2 \+ 3 LiF

## Application

The main use of LiPF6 is in commercial secondary batteries, an application that exploits its high solubility in polar aprotic solvents. Specifically, solutions of lithium hexafluorophosphate in carbonate blends of ethylene carbonate, dimethyl carbonate, diethyl carbonate and/or ethyl methyl carbonate, with a small amount of one or many additives such as fluoroethylene carbonate and vinylene carbonate, serve as state-of-the-art electrolytes in lithium-ion batteries.[6][7][8] This application takes advantage of the inertness of the hexafluorophosphate anion toward strong reducing agents, such as lithium metal, as well as of the ability of [PF6-] to passivate the positive aluminium current collector.[9]

## References

1. ↑ Dunn, JB; Gaines, L; Barnes, M; Sullivan, J; Wang M (Sep 2014). "Material and Energy Flows in the Materials Production, Assembly, and End-of-Life Stages of the Automotive Lithium-Ion Battery Life Cycle". p. 28. https://greet.es.anl.gov/files/li-ion.
2. ↑ O'Leary, Brian (11 May 2011). "High-Volume Manufacturing of LiPF6, A Critical Lithium-ion Battery Material". p. 5. https://www.energy.gov/sites/prod/files/2014/03/f11/arravt014_es_oleary_2011_p.pdf.
3. ↑ Xu, Kang (October 2004). "Nonaqueous Liquid Electrolytes for Lithium-Based Rechargeable Batteries". Chemical Reviews 104 (10): 4303–4418. doi:10.1021/cr030203g. PMID 15669157.
4. ↑ Nao Hamada; Sato Tsuneo (2004). "Lithium Hexafluorophosphate-Catalyzed Efficient Tetrahydropyranylation of Tertiary Alcohols under Mild Reaction Conditions". Synlett (10): 1802–1804. doi:10.1055/s-2004-829550.
5. ↑ Bi, Yujing; Wang, Tao; Liu, Meng; Du, Rui; Yang, Wenchao; Liu, Zixuan; Peng, Zhe; Liu, Yang et al. (2016). "Stability of Li2CO3 in cathode of lithium ion battery and its influence on electrochemical performance". RSC Advances 6 (23): 19233–19237. doi:10.1039/C6RA00648E. ISSN 2046-2069. Bibcode: 2016RSCAd...619233B.
6. ↑ Goodenough, John B.; Kim, Youngsik (9 February 2010). "Challenges for Rechargeable Li Batteries". Chemistry of Materials 22 (3): 587–603. doi:10.1021/cm901452z.
7. ↑ Qian, Yunxian; Hu, Shiguang; Zou, Xianshuai; Deng, Zhaohui; Xu, Yuqun; Cao, Zongze; Kang, Yuanyuan; Deng, Yuanfu et al. (2019). "How electrolyte additives work in Li-ion batteries". Energy Storage Materials 20: 208–215. doi:10.1016/j.ensm.2018.11.015. ISSN 2405-8297.
8. ↑ Jow, T. Richard; Borodin, Oleg; Ue, Makoto; Xu, Kang (2014). Electrolytes for Lithium and Lithium-Ion Batteries. Springer: New York. ISBN 9781493903023.
9. ↑ Corrosion inhibition of aluminum current collector with molybdate conversion coating in commercial LiPF6-esters electrolytes. 2021. Corrosion Sci. 190/11. S.L. Yang, S.M. Li, Y.B. Meng, M. Yu, J.H. Liu, B. Li. doi: 10.1016/j.corsci.2021.109632.

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Lithium compounds

Inorganic|

* LiAlCl4
* LiAlH4
* LiAlO2
* LiBF4
* LiBH4
* LiBO2
* LiB3O5
* Li2B4O7
* LiBr
* Li2CO3
* Li2C2
* LiCl
* LiClO
* LiClO3
* LiClO4
* LiCoO2
* LiF
* LiH
* LiI
* LiIO3
* Li2IrO3
* Li2MoO4
* LiNH2
* Li2NH
* LiN3
* Li3N
* LiNO2
* LiNO3
* LiNbO3
* LiOH
* LiO2
* Li2O
* Li2O2
* LiPF6
* Li2PtO3
* Li2Po
* Li2RuO3
* Li2S
* Li2SO3
* Li2SO4
* Li3H(CO3)2
* Li2SiO3
* LiTaO3
* Li2TiO3

Organic|

* 12-hydroxystearate
* acetate
* aspartate
* citrate
* diisopropylamide
* orotate
* succinate
* stearate
* organolithiums

Minerals|

* Amblygonite
* Elbaite
* Eucryptite
* Jadarite
* Lepidolite
* Lithiophilite
* Petalite
* Pezzottaite
* Saliotite
* Spodumene
* Sugilite
* Tourmaline
* Zabuyelite
* Zinnwaldite

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Hexafluorophosphates

* HPF6
* NH4PF6
* BMIM-PF6
* [Fe(C5H5)2]PF6
* LiPF6
* (C6H5)3CPF6
* AgPF6
* KPF6
* NaPF6
* NnBu4PF6
* [Cu(MeCN)4]PF6

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*[CID]: Compound ID
*[H314]: Causes severe skin burns and eye damage
*[P280]: Wear protective gloves/protective clothing/eye protection/face protection
*[P310]: Immediately call a POISON CENTER or doctor/physician
*[P305+351+338]: IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing
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