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Chromium hexacarbonyl

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Chromium hexacarbonyl
Names
IUPAC name Hexacarbonylchromium
Other names Chromium carbonyl
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChemSpider
ECHA InfoCard 100.032.579 Edit this at Wikidata
PubChem CID
RTECS number
  • GB5075000
CompTox Dashboard (EPA)
InChI
  • InChI=1S/6CO.Cr/c6*1-2;Key: KOTQLLUQLXWWDK-UHFFFAOYSA-N
  • InChI=1/6CO.Cr/c6*1-2;Key: KOTQLLUQLXWWDK-UHFFFAOYAN
SMILES
  • .#.#.#.#.#.#
Properties
Chemical formula C6CrO6
Molar mass 220.057 g/mol
Appearance colorless crystals
Density 1.77 g/cm, solid
Melting point 150 °C
Boiling point 210 °C (decomp)
Solubility in water insoluble
Solubility soluble in ether, chloroform, tetrahydropyran (THP), methylene chloride
Structure
Crystal structure orthrhombic
Coordination geometry octahedral
Dipole moment 0 D
Hazards
Occupational safety and health (OHS/OSH):
Main hazards Toxic
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g. canola oilInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
2 1 0
Flash point 210 °C
Lethal dose or concentration (LD, LC):
LD50 (median dose) 150 mg/kg (oral, mouse)
230 mg/kg (oral, rat)
Related compounds
Other cations Molybdenum hexacarbonyl
Tungsten hexacarbonyl
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Chemical compound

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 a formal charge of zero, and it is called a homoleptic complex, which means that all the ligands are the same. The complex is octahedral with Cr-C and C-O distances of 1.91 and 1.14 Å, respectively.

Reactions

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:

Cr(CO)6 + C6H5R → Cr(CO)3(C6H5R) + 3 CO

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.

Safety

In common with many of the other homoleptic metal carbonyls (e.g. nickel carbonyl and iron carbonyl), chromium hexacarbonyl is toxic and thought to be carcinogenic. Its vapor pressure is relatively high for a metal complex, 1 mm Hg ( 36 °C).

References

  1. Whitaker A.; Jeffery, J. W. “The Crystal Structure of Chromium Hexacarbonyl” Acta Crystallographica 1967, volume 23, pp. 977-984. doi:10.1107/S0365110X67004153.
  2. Elschenbroich, C. ”Organometallics” (2006) Wiley-VCH: Weinheim. ISBN 978-3-29390-6
  3. Patnaik, Pradyot (2003). "Chromium hexacarbonyl". Handbook of Inorganic Chemicals. McGraw-Hill Professional. pp. 222–223. ISBN 9780070494398.

External links

Chromium compounds
Chromium(0)
Organochromium(0) compounds
  • Cr(C6H6)2
  • CrC6H6(CO)3
    • Chromium(I)
    Organochromium(I) compounds
    Chromium(II)
    Organochromium(II) compounds
    Chromium(II, III)
    Chromium(III)
    Chromium(IV)
    Chromium(V)
    Chromium(VI)
    Polyatomic ion
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