Zirconium(IV) acetate

Zirconium(IV) acetate
Identifiers
CAS Number	4229-34-9;
3D model (JSmol)	Interactive image;
ECHA InfoCard	100.021.982
CompTox Dashboard (EPA)	DTXSID20890586 ;
	InChI InChI=1S/12C2H4O2.4H2O.4O.6Zr/c121-2(3)4;;;;;;;;;;;;;;/h121H3,(H,3,4);41H2;;;;;;;;;;/q;;;;;;;;;;;;;;;;4-2;6*+4/p-16 Key: RGWBNEKRIQDQRP-UHFFFAOYSA-A;
	SMILES [Zr+4].[Zr+4].[Zr+4].[Zr+4].[Zr+4].[Zr+4].[OH-].[OH-].[OH-].[OH-].[O-2].[O-2].[O-2].[O-2].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-];
Properties
Chemical formula	Zr6O4(OH)4(CH3CO2)12
Molar mass	1387.896 g·mol−1
Appearance	white solid
Solubility in water	soluble
Related compounds
Related compounds	zirconium dioxide, zirconium(IV) chloride
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Zirconium(IV) acetate or zirconyl acetate, or just zirconium acetate, usually refers to the chemical formula Zr₆O₄(OH)₄(CH₃CO₂)₁₂ (hexazirconium(IV) tetroxide tetrahydroxide dodecaacetate). It is a white solid formed by the reaction of zirconyl chloride with acetic acid. Claims of Zr(CH₃CO₂)₄ (zirconium(IV) acetate)^[1] have been superseded by experiments using X-ray crystallography.^[2]

The species Zr₆O₄(OH)₄(CH₃CO₂)₁₂ is a common precursor to metal-organic frameworks (MOFs).^[3] The structure of the 8.5 hydrate (Zr₆O₄(OH)₄(CH₃CO₂)₁₂·8.5H₂O) has been determined by EXAFS. The core can be described as a Zr₆ octahedron is face-capped with oxide and hydroxide ligands.^[2]

References

^ Pavlov, V. L.; Lysenko, Yu. A.; Kalinichenko, A. A. Synthesis and properties of zirconium tetraacetate.(in Russian) Zhurnal Neorganicheskoi Khimii, 1972. 17(12). ISSN 0044-457X
^ ^a ^b Hennig, Christoph; Weiss, Stephan; Kraus, Werner; Kretzschmar, Jerome; Scheinost, Andreas C. (2017). "Solution Species and Crystal Structure of Zr(IV) Acetate". Inorganic Chemistry. 56 (5): 2473–2480. doi:10.1021/acs.inorgchem.6b01624. PMID 28199091.
^ Cavka, Jasmina Hafizovic; Jakobsen, Søren; Olsbye, Unni; Guillou, Nathalie; Lamberti, Carlo; Bordiga, Silvia; Lillerud, Karl Petter (2008). "A New Zirconium Inorganic Building Brick Forming Metal Organic Frameworks with Exceptional Stability". Journal of the American Chemical Society. 130 (42): 13850–13851. Bibcode:2008JAChS.13013850C. doi:10.1021/ja8057953. PMID 18817383.

[1] Pavlov, V. L.; Lysenko, Yu. A.; Kalinichenko, A. A. Synthesis and properties of zirconium tetraacetate.(in Russian) Zhurnal Neorganicheskoi Khimii, 1972. 17(12). ISSN 0044-457X

[Hennig17-2] Hennig, Christoph; Weiss, Stephan; Kraus, Werner; Kretzschmar, Jerome; Scheinost, Andreas C. (2017). "Solution Species and Crystal Structure of Zr(IV) Acetate". Inorganic Chemistry. 56 (5): 2473–2480. doi:10.1021/acs.inorgchem.6b01624. PMID 28199091.

[3] Cavka, Jasmina Hafizovic; Jakobsen, Søren; Olsbye, Unni; Guillou, Nathalie; Lamberti, Carlo; Bordiga, Silvia; Lillerud, Karl Petter (2008). "A New Zirconium Inorganic Building Brick Forming Metal Organic Frameworks with Exceptional Stability". Journal of the American Chemical Society. 130 (42): 13850–13851. Bibcode:2008JAChS.13013850C. doi:10.1021/ja8057953. PMID 18817383.

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