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Zirconium acetylacetonate

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Zirconium acetylacetonate
Names
Other names tetrakis(acetylacetonato)zirconium, zirconium tetraacetylacetonate, zirconium tetrakis(acetylacetonate), tetrakis(acetylacetonato) zirconium, Zirconium(IV) 2,4-pentanedionate
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.037.721 Edit this at Wikidata
EC Number
  • 241-510-5
PubChem CID
UNII
CompTox Dashboard (EPA)
InChI
  • InChI=1S/4C5H8O2.Zr/c4*1-4(6)3-5(2)7;/h4*3,6H,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.
Properties
Chemical formula C20H28O8Zr
Molar mass 487.660 g·mol
Appearance white solid
Density 1.419 g/cm
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 GHS07: Exclamation mark
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 , 100 kPa). Infobox references
Chemical compound

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.

The complex is prepared by treating zirconium oxychloride with acetylacetone:

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. Compounds of high coordination number tend to be stereochemically nonrigid as indicated by the observation of one methyl signal by proton NMR spectroscopy.

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

References

  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.
  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.
Zirconium compounds
Zr(II)
Zr(III)
Zr(IV)
Acids and complexes
Organozirconium(IV)
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