Chemistry:Lithium hexafluorophosphate
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| Names | |
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| IUPAC name
lithium hexafluorophosphate
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| Identifiers | |
3D model (JSmol)
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PubChem CID
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| Properties | |
| LiPF6 | |
| Molar mass | 151.905 g/mol |
| Appearance | white powder |
| Density | 2.84 g/cm3 |
| Melting point | 200 °C (392 °F; 473 K) |
| soluble | |
| Hazards | |
| Safety data sheet | External MSDS |
| GHS pictograms | 
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| GHS Signal word | DANGER |
| H314 | |
| P280, P310, P305+351+338 | |
| Flash point | Non-flammable |
| Related compounds | |
Other anions
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Lithium tetrafluoroborate |
Other cations
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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). | |
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| Infobox references | |
Lithium hexafluorophosphate is an inorganic compound with the formula LiPF6. It is a white crystalline powder.
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
- ↑ 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.
- ↑ 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.
- ↑ Xu, Kang (October 2004). "Nonaqueous Liquid Electrolytes for Lithium-Based Rechargeable Batteries". Chemical Reviews 104 (10): 4303–4418. doi:10.1021/cr030203g. PMID 15669157.
- ↑ 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.
- ↑ 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.
- ↑ Goodenough, John B.; Kim, Youngsik (9 February 2010). "Challenges for Rechargeable Li Batteries". Chemistry of Materials 22 (3): 587–603. doi:10.1021/cm901452z.
- ↑ 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.
- ↑ Jow, T. Richard; Borodin, Oleg; Ue, Makoto; Xu, Kang (2014). Electrolytes for Lithium and Lithium-Ion Batteries. Springer: New York. ISBN 9781493903023.
- ↑ 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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