Titanocene dicarbonyl

Titanocene dicarbonyl
Names
	IUPAC name dicarbonylbis(η5-cyclopentadienyl)titanium(II)
	Other names Dicarbonyldi-π-cyclopentadienyltitanium
Identifiers
CAS Number	12129-51-0 ;
3D model (JSmol)	Interactive image;
PubChem CID	74765448;
	InChI InChI=1S/2C5H5.2CO.Ti/c21-2-4-5-3-1;21-2;/h21-3H,4H2;;;/q2-1;;; Key: AYSYTHDGPPKHIU-UHFFFAOYSA-N;
	SMILES C1C=CC=[C-]1.C1C=CC=[C-]1.C(=O)=[Ti]=C=O;
Properties
Chemical formula	C12H10O2Ti
Molar mass	234.09 g/mol
Appearance	maroon solid
Melting point	90 °C (194 °F; 363 K)
Boiling point	Sublimes at 40 to 80 °C (104 to 176 °F; 313 to 353 K) at 0.001 mmHg
Solubility in water	insoluble
Solubility in other solvents	THF, benzene
Structure
Coordination geometry	tetrahedral
Hazards
	Occupational safety and health (OHS/OSH):
Main hazards	flammable
Related compounds
Related compounds	Cp2TiCl2
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Dicarbonylbis(cyclopentadienyl)titanium is the chemical compound with the formula (η⁵-C₅H₅)₂Ti(CO)₂, abbreviated Cp₂Ti(CO)₂. This maroon-coloured, air-sensitive species is soluble in aliphatic and aromatic solvents.^[1] It has been used for the deoxygenation of sulfoxides, reductive coupling of aromatic aldehydes and reduction of aldehydes.

Structure and synthesis

Cp₂Ti(CO)₂ is prepared by the reduction of titanocene dichloride with magnesium as a slurry in THT under an atmosphere of carbon monoxide.^[2]

(C₅H₅)₂TiCl₂ + Mg + 2 CO → (C₅H₅)₂Ti(CO)₂ + MgCl₂

Both Cp₂Ti(CO)₂ and Cp₂TiCl₂ are tetrahedral as are related zirconium and hafnium compounds. Of historical interest, the complex was first prepared by the reduction of titanocene dichloride with sodium cyclopentadienyl under an atmosphere of carbon monoxide.^[3]

Its structure has been confirmed by X-ray crystallography.^[4]

References

^ Sikora, D. J.; Moriarty, K. J.; Rausch, M. D. (1990). "Dicarbonylbis(η ⁵ -Cyclopentadienyl) Complexes of Titanium, Zirconium, and Hafnium". Inorganic Syntheses. Vol. 28. pp. 250–251. doi:10.1002/9780470132593.ch64. ISBN 978-0-471-52619-3.
^ Snead, Thomas E. (2001). "Dicarbonylbis(cyclopentadienyl)titanium". Encyclopedia of Reagents for Organic Synthesis. John Wiley & Sons, Ltd. doi:10.1002/047084289X.rd073. ISBN 0-471-93623-5.
^ Murray, James G. (1959). "A Metal Carbonyl Compound of Titanium". Journal of the American Chemical Society. 81 (3): 752–753. doi:10.1021/ja01512a062.
^ Atwood, Jerry L.; Stone, Karen E.; Alt, Helmut G.; Hrncir, Duane C.; Rausch, Marvin D. (1975). "Crystal and Molecular Structure of Titanocene Dicarbonyl, (η⁵-C₅H₅)₂Ti(CO)₂". Journal of Organometallic Chemistry. 96: C4–C6. doi:10.1016/S0022-328X(00)86431-1.

[1] Sikora, D. J.; Moriarty, K. J.; Rausch, M. D. (1990). "Dicarbonylbis(η ⁵ -Cyclopentadienyl) Complexes of Titanium, Zirconium, and Hafnium". Inorganic Syntheses. Vol. 28. pp. 250–251. doi:10.1002/9780470132593.ch64. ISBN 978-0-471-52619-3.

[2] Snead, Thomas E. (2001). "Dicarbonylbis(cyclopentadienyl)titanium". Encyclopedia of Reagents for Organic Synthesis. John Wiley & Sons, Ltd. doi:10.1002/047084289X.rd073. ISBN 0-471-93623-5.

[3] Murray, James G. (1959). "A Metal Carbonyl Compound of Titanium". Journal of the American Chemical Society. 81 (3): 752–753. doi:10.1021/ja01512a062.

[4] Atwood, Jerry L.; Stone, Karen E.; Alt, Helmut G.; Hrncir, Duane C.; Rausch, Marvin D. (1975). "Crystal and Molecular Structure of Titanocene Dicarbonyl, (η⁵-C₅H₅)₂Ti(CO)₂". Journal of Organometallic Chemistry. 96: C4–C6. doi:10.1016/S0022-328X(00)86431-1.

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