16893-41-7

Usage

Uses

Used in Organic Synthesis:
Cesium hexafluorophosphate is used as a reagent in organic synthesis for its non-coordinating anion, which aids in facilitating certain chemical reactions without interfering with the desired product formation.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, cesium hexafluorophosphate is used as a catalyst to enhance the efficiency of drug synthesis processes. Its ability to act as a non-coordinating anion allows for better control over the reaction conditions, leading to improved yields and purity of the final product.
Used in Electrochemistry:
Cesium hexafluorophosphate is employed as an electrolyte in electrochemical applications, such as in lithium-ion batteries. Its high ionic conductivity and stability contribute to the performance and longevity of these energy storage devices.
Used in Material Science:
In material science, cesium hexafluorophosphate is used as a precursor in the synthesis of various advanced materials, including metal-organic frameworks and coordination polymers. Its versatility in forming complexes with different metal ions allows for the creation of materials with tailored properties for specific applications.

Upstream product

• 15690-63-8 cesium chloride 
• 13400-13-0 cesium fluoride 
• 7783-55-3 trifluorophosphane 
• 58702-88-8 NF₄⁽¹⁺⁾*PF₆^(1-)=NF₄PF₆ 
• 534-17-8 caesium carbonate 

Downstream Products

• 16949-12-5 cesium hexafluoroantimonate 
• 7647-19-0 phosphorus pentafluoride 

Relevant academic research and scientific papers

DFT calculation and experimental validation on the interactions of bis(trifluoromethylsulfonyl)imide and hexafluorophosphate with cesium

Bis(trifluoromethylsulfonyl)imide (NTf2?) and hexafluorophosphate (PF6?) are the most frequently used anions for hydrophobic ionic liquids (ILs) which have been considered as promising solvents in the extraction of cesium ions. The interactions of NTf2? and PF6? with Cs+ were explored in this work. The results of DFT calculation indicated that both Cs+ and Cs(18C6)+ prefer to interact with two NTf2? or PF6? anions in gas phase, where 18C6 is 18-crown-6. The complex of Cs(NTf2)2? was observed in electrospray ionization mass spectrometry (ESI-MS), and the complexes of [Cs(18C6)NTf2]2 and [Cs(18C6)PF6]2 were crystallized in which Cs(18C6)+ interacted with two anions. The interactions of NTf2? with cesium resulted in a synergistic effect between dicyclohexano-18-crown-6 (DCH18C6) and NTf2? in the extraction of Cs+ using n-octanol as diluent. However, DFT calculation revealed that the complex Cs(DCH18C6)+ interacted with one NTf2? anion was more thermodynamically stable than that with two anions in organic phase, different from that in gas phase.

Tetrafluorophosphite, PF4-, anion

N(CH3)4+PF4-, the first example of a PF4- salt, has been prepared from N(CH3)4F and PF3 using either CH3CN, CHF3, or excess PF3 as a solvent. The salt is a white, crystalline solid which is thermally stable up to 150 °C where it decomposes to N(CH3)3, CH3F, and PF3. The structure of the PF4- anion was studied by variable temperature 31P and 19F NMR spectroscopy, infrared and Raman spectroscopy, SCF, MP2, local and nonlocal density functional calculations, a normal coordinate analysis, and single-crystal X-ray diffraction. The anion possesses a pseudo trigonal bipyramidal structure with two longer axial bonds and an equatorial plane containing two shorter equatorial bonds and a sterically active free valence electron pair. In solution, it undergoes an intramolecular exchange process by the way of a Berry pseudorotation mechanism. The vibrational frequencies observed for PF4- in solid N(CH3)4PF4 are in excellent agreement with those calculated for free gaseous PF4-. The X-ray diffraction study tetragonal, space group P4?21m, a = 8.465(3) A?, c = 5.674(2) A?, Z = 2, R = 0.0723 for 268 observed [F ≥ σ(F)] reflections suffers from a 3-fold disorder with unequal occupancy factors for the equatorial fluorine atoms of PF4- but confirms its pseudo trigonal bipyramidal structure and the axial P-F bond length calculated for the free ion.

On the existence of pentacoordinated nitrogen

The thermal decomposition of NF4HF2 was studied by using 18F-labeled HF2-. The observed distribution of 18F among the decomposition products indicates that within experimental error the attack of HF2- on NF4+ occurs exclusively on fluorine and not on nitrogen, contrary to the predictions based on bond polarities. These results confirm the previous suggestion that the lack of pentacoordinated nitrogen species is due mainly to steric reasons.