Zirconium(III) chloride is an inorganic compound with formula ZrCl3. It is a blue-black solid that is highly sensitive to air.
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Names | |
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IUPAC name Zirconium trichloride | |
Identifiers | |
3D model (JSmol) | |
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PubChem CID | |
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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 | |
Heat capacity (C) | 96.21 J/mol·K[3] |
Std molar entropy (S⦵298) | 145.79 J/mol·K[3] |
Std enthalpy of formation (ΔfH⦵298) | −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). |
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]