Organofluorine / Alfa Chemistry
Sodium Hexafluorophosphate

Sodium Hexafluorophosphate

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Sodium Hexafluorophosphate
Catalog OFC21324390
CAS 21324-39-0
Category Fluorinated Metal Phosphates
Synonyms Sodium hexafluorophosphate(v); Phosphate(1-), hexafluoro-, sodium (1:1)
Purity >98.5%
MDL Number MFCD00011122
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Other Identifiers Chemical Data Computational Chemistry
IUPAC Name sodium; hexafluorophosphate
InChI InChI=1S/F6P.Na/c1-7(2,3,4,5)6;/q-1;+1
InChI Key KMADQUOCJBLXRP-UHFFFAOYSA-N
Isomeric SMILES F[P-](F)(F)(F)(F)F.[Na+]
Canonical SMILES F[P-](F)(F)(F)(F)F.[Na+]
EC Number 244-333-1
Molecular Formula NaPF6
Molecular Weight 168.95
Melting Point 200 °C
Density 2.369 g/cm3
Appearance White to off-white powder, crystals, or chunks
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 0
Exact Mass 167.95395
Monoisotopic Mass 167.95395
Topological Polar Surface Area 0Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 67.1
Case Study

Sodium Hexafluorophosphate as an Electrolyte for Sodium-Ion Batteries

A non-aqueous sodium hexafluorophosphate-based electrolyte degradation study: Formation and mitigation of hydrofluoric acid Barnes P, et al. Journal of Power Sources, 2020, 447, 227363.

Sodium hexafluorophosphate (NaPF6) is commonly used as a key electrolyte salt in sodium-ion batteries (NIBs) due to its high ionic conductivity and stability. This case study investigates the chemical stability of NaPF6-based electrolytes, focusing on the degradation mechanisms in the presence of water and the effectiveness of various additives in enhancing electrolyte stability. The study highlights two specific additives, 2,2,2-trifluoroethoxy-2,2,2-ethoxy phosphazene (FM2) and fluoroethylene carbonate (FEC), examining their impact on electrolyte degradation and cell performance. In particular, the hydrolysis of NaPF6 in the presence of water leads to the formation of hydrofluoric acid (HF), which negatively affects the electrolyte's stability. The research reveals that NaPF6-based electrolytes with trace moisture (<20 ppm) exhibit degradation leading to the formation of HF and organophosphates, reducing their shelf life. While FEC does not efficiently protect electrodes from HF exposure, FM2 demonstrates a significant ability to "scavenge" HF, thereby stabilizing the electrolyte and improving its long-term performance.

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