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Tris(acetonitrile)cyclopentadienyl­ruthenium hexafluorophosphate

Identifiers
CAS Number	80049-61-2
ECHA InfoCard	100.152.130
PubChem CID	11080566
CompTox Dashboard (EPA)	DTXSID60746270
Properties
Chemical formula	C11H14N3RuPF6
Molar mass	434.28
Appearance	yellow/brown solid
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references

Tris(acetonitrile)cyclopentadienylruthenium hexafluorophosphate is an organoruthenium compound with the formula PF₆, abbreviated PF₆. It is a yellow-brown solid that is soluble in polar organic solvents. The compound is a salt consisting of the hexafluorophosphate anion and the cation . In coordination chemistry, it is used as a source of RuCp for further derivitization. In organic synthesis, it is a homogeneous catalyst. It enables C-C bond formation and promotes cycloadditions. The cyclopentadienyl ligand (Cp) is bonded in an η manner to the Ru(II) center.

Preparation

The title complex is synthesized in two steps from the (benzene)ruthenium dichloride dimer. In the first step, the Cp group is installed using cyclopentadienylthallium:

₂ + 2 TlCp + 2 NH₄PF₆ → 2 PF₆ + 2 TlCl + 2 NH₄Cl

The second step entails photochemical displacement of the benzene ligand, which is replaced by three equivalents of acetonitrile (MeCN):

PF₆ + 3 MeCN → PF₆ + C₆H₆

References

1. ^ Gill, Thomas P; Mann, Kent R (1982). "Photochemical Properties of the Cyclopentadienyl(benzene)ruthenium(II) Cation. The Synthesis and Reactions of a Synthetically Useful Intermediate: the Cyclopentadienyltris (acetonitrile) ruthenium (II) Cation". Organometallics. 1: 485–488. doi:10.1021/om00063a014.
2. Trost, Barry M.; Toste, F. Dean; Pinkerton, Anthony B. (2001). "Non-Metathesis Ruthenium-Catalyzed C−C Bond Formation". Chem. Rev. 101 (7): 2067–2096. doi:10.1021/cr000666b. PMID 11710241.

• Organoruthenium compounds
• Cyclopentadienyl complexes
• Hexafluorophosphates
• Half sandwich compounds
• Nitriles
• Ruthenium(II) compounds