Zirconium(III) chloride
3D model of zirconium(III) chloride
Names
IUPAC name
Zirconium trichloride
Identifiers
3D model (JSmol)
ChemSpider
  • InChI=1S/3ClH.Zr/h3*1H;/q;;;+3/p-3 ☒N
    Key: PFXYQVJESZAMSV-UHFFFAOYSA-K ☒N
  • Cl[Zr](Cl)Cl
Properties
Cl3Zr
Molar mass 197.57 g·mol−1
Appearance Blue-black crystals
Density 3.05 g/cm3[1]
Melting point 627 °C (1,161 °F; 900 K)
at 760 mmHg[1]
Reacts[1]
Solubility Soluble in benzene, CS2
Structure
Hexagonal, hP6[2]
P63/mcm, No. 193[2]
6/m 2/m 2/m[2]
a = 6.36 Å, c = 6.14 Å[2]
α = 90°, β = 90°, γ = 120°
Thermochemistry
96.21 J/mol·K[3]
145.79 J/mol·K[3]
−714.21 kJ/mol[3]
Related compounds
Other anions
 Zirconium(III) bromide
Zirconium(III) iodide
Other cations
 Titanium(III) chloride
Hafnium(III) chloride
Related compounds
 Zirconium(IV) chloride
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

Zirconium(III) chloride is an inorganic compound with formula ZrCl3. It is a blue-black solid that is highly sensitive to air.

Preparation

The material was first claimed by Ruff and Wallstein who reduced zirconium tetrachloride with aluminium to give impure samples.[4] Subsequently, the problem with aluminium contamination was solved when it was prepared by reduction using zirconium metal:[5]

Zr + 3 ZrCl4 → 4 ZrCl3

When aluminium is used as the reducing agent with zirconium tetrachloride, a series of choloroaluminates are formed, for example [Zr(AlCl4)2(AlCl4)2] and Zr(AlCl4)3.[6]

Since the trihalides, such as zirconium trichloride, are comparatively nonvolatile, contamination can be avoided by using a gaseous reductant. For example, zirconium trichloride can be prepared by reduction of zirconium tetrachloride with hydrogen.[7]

ZrCl4 + ½ H2 → ZrCl3 + HCl

Structure

Some zirconium halides (ZrCl3, ZrBr3, and ZrI3) have structures similar to HfI3. They also have similar space group (P63/mcm) and hexagonal structure with 2 molecules in the cell.[2] The magnetic susceptibility of zirconium trichloride suggests metal-metal interactions of the unpaired electron on each Zr(III) center. The magnetic moment of ZrCl3 (0.4 BM) indicates considerable overlap of metal orbitals.[8]

References

  1. 1 2 3 Lide, David R., ed. (2009). CRC Handbook of Chemistry and Physics (90th ed.). Boca Raton, Florida: CRC Press. ISBN 978-1-4200-9084-0.
  2. 1 2 3 4 5 Douglas, Bodie E.; Ho, Shih-Ming (2007). Structure and Chemistry of Crystalline Solids. New York: Springer Science+Business Media, Inc. p. 101. ISBN 978-0-387-26147-8.
  3. 1 2 3 Zirconium chloride in Linstrom, Peter J.; Mallard, William G. (eds.); NIST Chemistry WebBook, NIST Standard Reference Database Number 69, National Institute of Standards and Technology, Gaithersburg (MD) (retrieved 2014-06-23)
  4. ↑ Ruff, Otto; Wallstein, Richard (1923). "Reduktion anorganischer Halogenide III.1) Die Reduktion des Zirkontetrachlorids". Zeitschrift für anorganische und allgemeine Chemie. 128: 96–116. doi:10.1002/zaac.19231280110.
  5. ↑ Hoffman, David M.; Lee, Samkeun (1992). "Synthesis of pyridine complexes of zirconium(III) chloride and the apparent oxidation to zirconium(IV) by a nitrile". Inorganic Chemistry. 31 (13): 2675. doi:10.1021/ic00039a002.
  6. ↑ Larsen, E. M.; Moyer, James W.; Gil-Arnao, Francisco.; Camp, Michael J. (1974). "Synthesis of crystalline zirconium trihalides by reduction of tetrahalides in molten aluminum halides. Nonreduction of hafnium". Inorganic Chemistry. 13 (3): 574. doi:10.1021/ic50133a015.
  7. ↑ Newnham, I. E.; Watts, J. A. (1960). "The Preparation of the Anhydrous Zirconium Trihalides". Journal of the American Chemical Society. 82 (9): 2113. doi:10.1021/ja01494a006.
  8. ↑ Wells, A.F. Structural Inorganic Chemistry. Oxford Science Publications, 1975, 5th ed, 417-420.
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