Tetrabutylammonium hexafluorophosphate

Names
IUPAC name

Tetrabutylammonium hexafluorophosphate

Other names

1-Butanaminium, N,N,N-tributyl-, hexafluorophosphate(1-)

Identifiers

CAS Number

* 3109-63-5

3D model (JSmol)

* Interactive image

ChemSpider |

* 144722

PubChem CID

* 165075

InChI

* InChI=1S/C16H36N.F6P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(2,3,4,5)6/h5-16H2,1-4H3;/q+1;-1

Key: BKBKEFQIOUYLBC-UHFFFAOYSA-N

* InChI=1/C16H36N.F6P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(2,3,4,5)6/h5-16H2,1-4H3;/q+1;-1

Key: BKBKEFQIOUYLBC-UHFFFAOYAC

SMILES

* CCCC[N+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F

Properties

Chemical formula

| C16H36F6NP
Molar mass | 387.4279 g·mol−1
Appearance  | white powder
Melting point |  244–246 °C (471–475 °F; 517–519 K)

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

Infobox references

Tracking categories (test):

* SizeSet

Tetrabutylammonium hexafluorophosphate is a salt with the formula NBu4PF6. It is a white powder that is used as an electrolyte in nonaqueous electrochemistry. It is highly soluble in polar organic solvents such as acetone and acetonitrile.

The salt consists of a positively charged tetrabutylammonium, a quaternary ammonia cation and a weakly basic hexafluorophosphate anion. These species are chemically inert, which allows the salt to serve as an inert electrolyte over a wide potential range.

## Preparation

This salt can be prepared by the reaction of tetrabutylammonium bromide and potassium hexafluorophosphate in aqueous solution.[1]

(C4H9)4NBr + KPF6 → (C4H9)4NPF6 \+ KBr

Given the sensitivity of electrochemical experiments, this salt is usually further purified, e.g., by recrystallization from aqueous or absolute ethanol.[2]

## Use

This salt is used as a supporting electrolyte in electroanalysis as well as electrolytic growth methods (electrocrystallization). For instance, in the presence of this salt, the electrochemical oxidation of tetramethyltetraselenafulvalene (TMTSF) yields single crystals of (TMTSF)2PF6. This material is the first organic superconductor (Tc = 0.9 K at 12 kbar) reported by Klaus Bechgaard and Denis Jérome in 1980.[3]

## References

1. ↑ Eliassaf, Jehudah; Fuoss, Raymond M.; Lind Jr., John E. (1963). "Conductance of Quaternary Ammonium Hexafluorophosphates in acetonitrile". The Journal of Physical Chemistry 67 (9): 1941-1942. doi:10.1021/j100803a519.
2. ↑ Zoski, Cynthia G. (2007). Handbook of Electrochemistry (1st ed.). Amsterdam: Elsevier.
3. ↑ Jérome, D.; Mazaud, A.; Ribault, M.; Bechgaard, K. (1980). "Superconductivity in a synthetic organic conductor (TMTSF)2PF6". Journal de Physique Lettres 41: 95-98. doi:10.1051/jphyslet:0198000410409500.

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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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