Dichlorotris(triphenylphosphine)ruthenium(II)

Dichlorotris(triphenylphosphine)
ruthenium(II)

Names
IUPAC name Dichlorotris(triphenylphosphine)ruthenium(II)
Other names Ruthenium tris(triphenylphosphine) dichloride; Tris(triphenylphosphine)dichlororuthenium; Tris(triphenylphosphine)ruthenium dichloride;Tris(triphenylphosphine)ruthenium(II) dichloride
Identifiers
CAS Number	15529-49-4 Y
3D model (Jmol)	Interactive image
ChemSpider	76650 Y
ECHA InfoCard	100.035.957
EC Number	239-569-7
InChI InChI=1S/3C18H15P.2ClH.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h3*1-15H;2*1H;/q;;;;;+2/p-2 Y Key: WIWBLJMBLGWSIN-UHFFFAOYSA-L Y InChI=1/3C18H15P.2ClH.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h3*1-15H;2*1H;/q;;;;;+2/p-2 Key: WIWBLJMBLGWSIN-NUQVWONBAX
SMILES [Ru+2].[Cl-].[Cl-].c3c(P(c1ccccc1)c2ccccc2)cccc3.c1ccccc1P(c2ccccc2)c3ccccc3.c1ccccc1P(c2ccccc2)c3ccccc3
Properties
Chemical formula	C54H45Cl2P3Ru
Molar mass	958.83 g/mol
Appearance	Black Crystals or Red-Brown
Density	1.43 g cm−3
Melting point	133 °C; 271 °F; 406 K
Structure
Crystal structure	Monoclinic
Space group	C2h5-P21/c
Lattice constant	a = 18.01 Å, b = 20.22 Å, c = 12.36 Å α = 90°, β = 90.5o°, γ = 90°
Coordination geometry	Octahedral
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Y  (what is YN ?)
Infobox references

Dichlorotris(triphenylphosphine)ruthenium(II) is a coordination complex of ruthenium. It is a chocolate brown solid that is soluble in organic solvents such as benzene. The compound is used as a precursor to other complexes including those used in homogeneous catalysis.

RuCl₂(PPh₃)₃ is the product of the reaction of ruthenium trichloride trihydrate with a methanolic solution of triphenylphosphine.

The coordination sphere of RuCl₂(PPh₃)₃ can be viewed as either five-coordinate or octahedral. One coordination site is occupied by one of the hydrogen atoms of a phenyl group. This Ru---H an agostic interaction is long (2.59 Å) and weak. The low symmetry of the compound is reflected by the differing lengths of the Ru-P bonds: 2.374, 2.412, and 2.230 Å. The Ru-Cl bond lengths are both 2.387 Å.

In the presence of excess of triphenylphosphine, RuCl₂(PPh₃)₃ binds a fourth phosphine to give black RuCl₂(PPh₃)₄. The triphenylphosphine ligands in both the tris(phosphine) and tetrakis(phosphine) complexes are labile and are readily substituted by other ligands. Notably, the tetrakis(phosphine) complex is a precursor to the Grubbs catalysts.

Dichlorotris(triphenylphosphine)ruthenium(II) reacts with carbon monoxide to produce the all trans isomer of dichloro(dicarbonyl)bis(triphenylphosphine)ruthenium(II).

This kinetic product isomerizes to the cis adduct during recrystallization. trans-RuCl₂(dppe)₂ forms upon treating RuCl₂(PPh₃)₃ with dppe.

RuCl₂(PPh₃)₃ catalyzes the decomposition of formic acid into carbon dioxide and hydrogen gas in the presence of an amine. Since carbon dioxide can be trapped and hydrogenated on an industrial scale, formic acid represents a potential storage and transportation medium.