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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