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Tris(acetonitrile)cyclopentadienylruthenium hexafluorophosphate

Tris(acetonitrile)cyclopentadienylruthenium hexafluorophosphate is an organoruthenium compound with the formula [(C<sub>5</sub>H<sub>5</sub>)Ru(NCCH<sub>3</sub>)<sub>3</sub>]PF<sub>6</sub>, abbreviated [CpRu(NCMe)<sub>3</sub>]PF<sub>6</sub>. 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 [CpRu(NCMe)<sub>3</sub>]<sup>+</sup>. In coordination chemistry, it is used as a source of RuCp<sup>+</sup> 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<sup>5</sup> 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<sup>−</sup> group is installed using cyclopentadienylthallium:

[(C<sub>6</sub>H<sub>6</sub>)RuCl<sub>2</sub>]<sub>2</sub> + 2 TlCp + 2 NH<sub>4</sub>PF<sub>6</sub> → 2 [Cp(C<sub>6</sub>H<sub>6</sub>)Ru]PF<sub>6</sub> + 2 TlCl + 2 NH<sub>4</sub>Cl

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

[Cp(C<sub>6</sub>H<sub>6</sub>)Ru]PF<sub>6</sub> + 3 MeCN → [CpRu(NCMe)<sub>3</sub>]PF<sub>6</sub> + C<sub>6</sub>H<sub>6</sub>

References