Zirconium acetylacetonate

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]

Zirconium acetylacetonate
Names
Other names
tetrakis(acetylacetonato)zirconium, zirconium tetraacetylacetonate, zirconium tetrakis(acetylacetonate), tetrakis(acetylacetonato) zirconium, Zirconium(IV) 2,4-pentanedionate
Identifiers
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.037.721
EC Number
  • 241-510-5
UNII
  • InChI=1S/4C5H8O2.Zr/c4*1-4(6)3-5(2)7;/h4*3,6H,1-2H3;/b4*4-3-;
    Key: YOBOXHGSEJBUPB-MTOQALJVSA-N
  • CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.[Zr]
Properties
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)
140 °C in vacuo
Solubility in benzene 200 g/L
Hazards
GHS labelling:
GHS07: Exclamation mark
Warning
H302, H312, H315, H319, H332, H335
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

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
  1. Young, R. C.; Arch, Arnold (1946). "Zirconium Acetylacetonate [Tetrakis(2,4‐pentanediono)zirconium]". Inorganic Syntheses. pp. 121–148. doi:10.1002/9780470132333.ch35. ISBN 9780470132333. {{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.
  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 9780470131688.
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