Tris(acetylacetonato)titanium(III)

Tris(acetylacetonato)titanium(III)
Names

IUPAC name 4-oxopent-2-en-2-olate;titanium(3+)
Other names tris(2,4-pentanedionato)titanium, titanium trisacetylacetonate
Identifiers
CAS Number	14284-96-9
3D model (JSmol)	Interactive image
ChemSpider	76066
ECHA InfoCard	100.034.708
EC Number	238-196-7
PubChem CID	84322
CompTox Dashboard (EPA)	DTXSID20931660
InChI InChI=1S/3C5H8O2.Ti/c31-4(6)3-5(2)7;/h33,6H,1-2H3;/q;;;+3/p-3 Key: SYIKXNDVCPYCLG-UHFFFAOYSA-K
SMILES CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Ti+3]
Properties
Chemical formula	C₁₅H₂₁O₆Ti
Molar mass	345.194 g·mol⁻¹
Appearance	blue solid
Density	1.366 g/cm³
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Tris(acetylacetonato)titanium(III), often abbreviated Ti(acac)₃, is a coordination complex of titanium(III) featuring acetylacetonate (acac) ligands, making it one of a family of metal acetylacetonates. It is a blue air-sensitive solid that dissolves in nonpolar organic solvents. The compound is prepared by treating titanium trichloride with acetylacetone in the presence of base.^[1] Being paramagnetic, it gives a contact-shifted proton NMR signal at 60 ppm upfield of TMS assigned to the methyl group.^[2]

Structure

It is an octahedral complex. The Ti-O bonds lengths range from 2.023 to 2.013 Å, the large variation being attributed to the Jahn-Teller effect. Ti(acac)₃ possesses helical chirality, giving rise to Δ- and Λ-enantiomers.

It is a precatalyst for Ziegler-Natta catalysis.^[3]

References

^ Arslan, Evrim; Lalancette, Roger A.; Bernal, Ivan (2017). "An Historic and Scientific Study of the Properties of Metal(III) Tris-acetylacetonates". Structural Chemistry. 28: 201–212. doi:10.1007/s11224-016-0864-0. S2CID 99668641.
^ Eaton, D. R. (1965). "The Nuclear Magnetic Resonance of Some Paramagnetic Transition Metal Acetylacetonates". Journal of the American Chemical Society. 87 (14): 3097–3102. doi:10.1021/ja01092a015.
^ Zambelli, Adolfo; Oliva, Leone; Pellecchia, Claudio (1989). "Soluble Catalysts for Syndiotactic Polymerization of Styrene". Macromolecules. 22 (5): 2129–2130. Bibcode:1989MaMol..22.2129Z. doi:10.1021/ma00195a021.