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Chromium hexacarbonyl

Chromium hexacarbonyl
Cr(CO)6.png
Names
IUPAC name
Hexacarbonylchromium
Other names
Chromium carbonyl
Identifiers
3D model (Jmol)
ChEBI
ChemSpider
ECHA InfoCard 100.032.579
PubChem CID
RTECS number GB5075000
Properties
Cr(CO) 6
Molar mass 220.057 g/mol
Appearance colorless crystals
Density 1.77 g/cm3, solid
Melting point 90 °C (194 °F; 363 K)
Boiling point 210 °C (410 °F; 483 K) (decomposes)
insoluble
Solubility soluble in ether, chloroform, tetrahydropyran (THP), methylene chloride
Structure
orthrhombic
octahedral
0 D
Hazards
Main hazards Toxic
Safety data sheet Oxford MSDS
NFPA 704
Flammability code 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g., canola oil Health code 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g., chloroform Reactivity code 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g., liquid nitrogen Special hazards (white): no codeNFPA 704 four-colored diamond
Flash point 210 °C (410 °F; 483 K)
Lethal dose or concentration (LD, LC):
LD50 (median dose)
 150 mg/kg (oral, mouse)
230 mg/kg (oral, rat)
US health exposure limits (NIOSH):
PEL (Permissible)
 TWA 1 mg/m3
REL (Recommended)
 TWA 0.5 mg/m3
IDLH (Immediate danger)
 250 mg/m3
Related compounds
Other cations
Molybdenum hexacarbonyl
Tungsten hexacarbonyl
Related compounds
 Vanadium hexacarbonyl
Dimanganese decacarbonyl
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
YesY  (what is YesYN ?)
Infobox references

Chromium carbonyl, also known as chromium hexacarbonyl, is the chemical compound with the formula Cr(CO)6. At room temperature the solid is stable to air, although it does have a high vapor pressure and sublimes readily. Cr(CO)6 is zerovalent, meaning that Cr has an oxidation state of zero, and it is a homoleptic complex, which means that all the ligands are identical. The complex is octahedral with Cr–C and C–O distances of 1.91 and 1.14 Å, respectively.

When heated or photolyzed in tetrahydrofuran (THF) solution, Cr(CO)6 converts to Cr(CO)5(THF) with loss of one CO ligand. Similarly, heating a solution of Cr(CO)6 in an aromatic solvent results in replacement of three CO ligands:

Such reactions proceed particularly well with electron-rich arenes such as anisole, either as the neat reagent or using a mixture of THF and dibutyl ether, the latter to increase the boiling point of the mixture. The products adopt a "piano-stool" structure. These species are typically yellow solids, which dissolve well in common organic solvents. The arene can be liberated from the chromium with iodine or by photolysis in air. In general, substituted derivatives of Cr(CO)6 decompose upon exposure to air.

Alkyl and aryl organolithium reagents RLi add to a carbonyl ligand to give anionic acyl complexes. These species react with alkylating agents such as Me3O+ to form (OC)5Cr=C(OMe)R, an example of a Fischer carbene. If the R group is a vinyl or an aryl group, then the resulting carbene complex can react with an acetylene to form a new benzene ring to which is bonded the chromium tricarbonyl fragment. The two acetylene carbon atoms become part of the new ring, as does a carbon from one of the carbonyl ligands. Also the three carbons from the vinyl carbene become part of the new benzene ring.


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Wikipedia

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