Chemistry:Ferrocenium hexafluorophosphate
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| Names | |
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| IUPAC name
Ferrocenium hexafluorophosphate
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| Identifiers | |
3D model (JSmol)
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| ChemSpider | |
PubChem CID
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| Properties | |
| C10H10F6FeP | |
| Molar mass | 330.999 g·mol−1 |
| Appearance | dark blue powder |
| Density | 1.808 g/cm3 |
| Melting point | (decomposes) |
| Structure | |
| monoclinic | |
| P21/c | |
α = 90°, β = 93.31(3)°, γ = 90°[2]
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Lattice volume (V)
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1215.8(5) Å3 |
| Hazards | |
| Safety data sheet | External MSDS |
| GHS pictograms | 
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| GHS Signal word | Warning |
| H315, H319, H335 | |
| P261, P305+351+338 | |
| Related compounds | |
Other anions
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Ferrocenium tetrafluoroborate |
Related compounds
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Ferrocene |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). | |
| Infobox references | |
Ferrocenium hexafluorophosphate is an organometallic compound with the formula [Fe(C5H5)2]PF6. This salt is composed of the cation [Fe(C5H5)2]+ and the hexafluorophosphate anion (PF−6). The related tetrafluoroborate is also a popular reagent with similar properties.[3]: 882 The ferrocenium cation is often abbreviated Fc+ or Cp2Fe+. The salt is deep blue in color and paramagnetic.
Ferrocenium salts are one-electron oxidizing agents, and the reduced product, ferrocene, is relatively inert and readily separated from ionic products.[3]: 881–882 The ferrocene–ferrocenium couple is often used as a reference in electrochemistry, though its standard potential is dependent on specific electrochemical conditions.[3]: 879 In acetonitrile solution that is 0.1 M in NBu4PF6, the Fc+/Fc couple is +0.40 V vs. the saturated calomel electrode, equivalent to +0.64 V with respect to the normal hydrogen electrode.[3]: 879
Preparation and structure
Commercially available, this compound may be prepared by oxidizing ferrocene with ferric salts followed by addition of ammonium hexafluorophosphate.[3]: 904
The compound is monoclinic with well-separated cation and anion; the PF−6 may rotate freely. The average Fe−C bond length is 2.047 Å, which is virtually indistinguishable from the Fe−C distance in ferrocene.[2]
References
- ↑ "Ferrocenium hexafluorophosphate 388297". https://www.sigmaaldrich.com/catalog/product/aldrich/388297.
- ↑ 2.0 2.1 R. Martinez; A. Tiripicchio (1990). "Structure of ferrocenium hexafluorophosphate". Acta Crystallogr. C46 (2): 202–205. doi:10.1107/S0108270189005883.
- ↑ 3.0 3.1 3.2 3.3 3.4 Connelly, N. G.; Geiger, W. E. (1996). "Chemical Redox Agents for Organometallic Chemistry". Chem. Rev. 96 (2): 877–910. doi:10.1021/cr940053x. PMID 11848774. https://charettelab.faculty.ucdavis.edu/wp-content/uploads/sites/791/2023/07/chemical_redox_agents.pdf.
Template:Cyclopentadienide complexes
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