Titanium bis(acetylacetonate)dichloride

Titanium bis(acetylacetonate)dichloride
Names
	IUPAC name (OC-6-2′2)-Dichlorido(2,4-dioxopentan-3-ido-κ2O,O′)titanium
	Other names dichlorobis(2,4-pentanedionato)titanium, dichlorobis(2,4-acetylacetonato)titanium, bis(acetylacetonato)dichlorotitanium
Identifiers
CAS Number	17099-86-4;
3D model (JSmol)	ionic form: Interactive image; coordination form: Interactive image;
ChemSpider	4588323;
ECHA InfoCard	100.037.415
EC Number	241-172-9;
PubChem CID	5483899;
	InChI InChI=1S/2C5H8O2.2ClH.Ti/c21-4(6)3-5(2)7;;;/h23,6H,1-2H3;21H;/q;;;;+4/p-4/b24-3-;;; Key: LUDYOTBRNXNKAB-VGKOASNMSA-J;
	SMILES ionic form: CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Cl-].[Cl-].[Ti+4]; coordination form: Cl[Ti-2]12(Cl)(OC(C)=CC(C)=[O+]1)OC(C)=CC(C)=[O+]2;
Properties
Chemical formula	C10H14Cl2O4Ti
Molar mass	316.99 g·mol−1
Appearance	red-orange solid
Density	1.514 g/cm3
Melting point	191 °C (376 °F; 464 K)
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Titanium bis(acetylacetonate)dichloride is the coordination complex with the formula Ti(C₅H₇O₂)₂Cl₂. It is a common acetylacetonate complex of titanium. It is a red-orange solid that hydrolyzes slowly in air.[1]

The complex is prepared by treatment of titanium tetrachloride with excess acetylacetone:[1]

TiCl₄ + 2 Hacac → Ti(acac)₂Cl₂ + 2 HCl

It is an octahedral complex that crystallizes as a racemic mixture of the chiral cis isomers.[2] It is fluxional in solution, as the result of rapid cis–trans equilibrium.[3]

References

Wilkie, C. A.; Lin, G.; Haworth, D. T. (1979). "cis-[Dihalobis(2,4-Pentanedionato)Titanium(IV)] Complexes". Inorg. Synth. 19: 145–148. doi:10.1002/9780470132500.ch33.
Ferguson, George; Glidewell, Christopher (2001). "Enantiomeric disorder in racemic cis-dichlorobis(pentane-2,4-dionato)titanium(IV)". Acta Crystallographica Section C. 57 (3): 264–265. doi:10.1107/S0108270100019181. PMID 11250571.
Bradley, D. C.; Holloway, C. E. (1969). "Nuclear magnetic resonance and infrared spectral studies on labile cis-dialkoxy-bis(acetylacetonato)titanium(IV) compounds". J. Chem. Soc. A: 282–285. doi:10.1039/J19690000282. S2CID 97560520.

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[IS-1] Wilkie, C. A.; Lin, G.; Haworth, D. T. (1979). "cis-[Dihalobis(2,4-Pentanedionato)Titanium(IV)] Complexes". Inorg. Synth. 19: 145–148. doi:10.1002/9780470132500.ch33.

[2] Ferguson, George; Glidewell, Christopher (2001). "Enantiomeric disorder in racemic cis-dichlorobis(pentane-2,4-dionato)titanium(IV)". Acta Crystallographica Section C. 57 (3): 264–265. doi:10.1107/S0108270100019181. PMID 11250571.

[3] Bradley, D. C.; Holloway, C. E. (1969). "Nuclear magnetic resonance and infrared spectral studies on labile cis-dialkoxy-bis(acetylacetonato)titanium(IV) compounds". J. Chem. Soc. A: 282–285. doi:10.1039/J19690000282. S2CID 97560520.