Zirconium acetylacetonate

Zirconium acetylacetonate
Names
	Other names tetrakis(acetylacetonato)zirconium, zirconium tetraacetylacetonate, zirconium tetrakis(acetylacetonate), tetrakis(acetylacetonato) zirconium, Zirconium(IV) 2,4-pentanedionate
Identifiers
CAS Number	17501-44-9;
3D model (JSmol)	Interactive image;
ChemSpider	4576440;
ECHA InfoCard	100.037.721
EC Number	241-510-5;
PubChem CID	11134693;
UNII	15NW5BA32K;
CompTox Dashboard (EPA)	DTXSID00904296 ;
	InChI InChI=1S/4C5H8O2.Zr/c41-4(6)3-5(2)7;/h43,6H,1-2H3;/b4*4-3-; Key: YOBOXHGSEJBUPB-MTOQALJVSA-N;
	SMILES CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.[Zr];
Properties
Chemical formula	C20H28O8Zr
Molar mass	487.660 g·mol−1
Appearance	white solid
Density	1.419 g/cm3
Melting point	194–195 °C (381–383 °F; 467–468 K)
Sublimation; conditions	140 °C in vacuo
Solubility in benzene	200 g/L
Hazards
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H302, H312, H315, H319, H332, H335
Precautionary statements	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Zirconium acetylacetonate is the coordination complex with the formula Zr(C₅H₇O₂)₄. It is a common acetylacetonate of zirconium. It is a white solid that exhibits high solubility in nonpolar organic solvents, but not simple hydrocarbons.^[1]

The complex is prepared by treating zirconium oxychloride with acetylacetone:^[1]

ZrOCl₂ + 4 Hacac → Zr(acac)₄ + 2 HCl + H₂O

The complex has a square antiprismatic geometry with eight nearly equivalent Zr-O bonds of length 2.19 Å. The molecular symmetry is D₂, i.e. the complex is chiral.^[2] Compounds of high coordination number tend to be stereochemically nonrigid as indicated by the observation of one methyl signal by proton NMR spectroscopy.^[3]

More volatile than Zr(acac)₄ is the related complex of 1,1,1-trifluoroacetylacetonate.^[3]

References

^ ^a ^b Young, R. C.; Arch, Arnold (1946). "Zirconium Acetylacetonate [Tetrakis(2,4-pentanediono)zirconium]". Inorganic Syntheses. Vol. 2. pp. 121–148. doi:10.1002/9780470132333.ch35. ISBN 978-0-470-13233-3. {{cite book}}: |journal= ignored (help)
^ Clegg, William (1987). "Redetermination of the structure of tetrakis(acetylacetonato)zirconium(IV)". Acta Crystallographica Section C. 43 (4): 789–91. doi:10.1107/S0108270187094083.
^ ^a ^b Morris, Melvin L.; Moshier, Ross W.; Sievers, Robert E. (1967). "Tetrakis(1,1,1-trifluoro-2,4-pentanedionato)zirconium(and Hafnium)". Tetrakis(1,1,1-trifluoro-2,4-pentanedionato)zirconium (and Hafnium). Inorganic Syntheses. Vol. 9. pp. 50–52. doi:10.1002/9780470132401.ch15. ISBN 978-0-470-13168-8.

[IS-1] Young, R. C.; Arch, Arnold (1946). "Zirconium Acetylacetonate [Tetrakis(2,4-pentanediono)zirconium]". Inorganic Syntheses. Vol. 2. pp. 121–148. doi:10.1002/9780470132333.ch35. ISBN 978-0-470-13233-3. {{cite book}}: |journal= ignored (help)

[2] Clegg, William (1987). "Redetermination of the structure of tetrakis(acetylacetonato)zirconium(IV)". Acta Crystallographica Section C. 43 (4): 789–91. doi:10.1107/S0108270187094083.

[Sievers-3] Morris, Melvin L.; Moshier, Ross W.; Sievers, Robert E. (1967). "Tetrakis(1,1,1-trifluoro-2,4-pentanedionato)zirconium(and Hafnium)". Tetrakis(1,1,1-trifluoro-2,4-pentanedionato)zirconium (and Hafnium). Inorganic Syntheses. Vol. 9. pp. 50–52. doi:10.1002/9780470132401.ch15. ISBN 978-0-470-13168-8.

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