Zirconium(II) hydride

Zirconium(II) hydride[1]
Names
IUPAC name
Zirconium(II) hydride[2][3]
Other names
  • Hydride;zirconium(2+)[2]
  • Zirconium(2+) dihydride[2][3]
  • Zirconium dihydride[2][3]
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.028.844
EC Number
  • 231-727-3
PubChem CID
UNII
CompTox Dashboard (EPA)
InChI
  • InChI=1S/Zr.2H
    Key: QSGNKXDSTRDWKA-UHFFFAOYSA-N
SMILES
  • [ZrH2]
  • [H-].[H-].[Zr+2]
Properties
Chemical formula
 ZrH2
Molar mass 93.240 g/mol
Appearance Grey tetragonal crystals or dark gray to black metallic powder[4]
Odor Odorless[5]
Density 5.60 g/cm3
Melting point 800°C (decomposes)
Solubility in water
 Insoluble
Solubility Soluble in HF
Structure
Crystal structure
 tetragonal
Molecular shape
 dihedral (C2v)
Hazards
Occupational safety and health (OHS/OSH):
Main hazards
 Skin irritation, eye irritation, flammable[4]
GHS labelling:
Pictograms
 GHS02: FlammableGHS07: Exclamation mark
Signal word
 Danger
Hazard statements
 H228, H315, H319, H335
Precautionary statements
 P210, P240, P241, P261, P264, P271, P280, P302+P352, P304+P340+P312, P305+P351+P338, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, P501
NFPA 704 (fire diamond)
NFPA 704 four-colored diamond
1
3
1
Autoignition
temperature
 270 °C
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(II) hydride is a molecular chemical compound with the chemical formula ZrH2. It is a grey crystalline solid or dark gray to black powder.[4] It has been prepared by laser ablation and isolated at low temperature.[6]

Zirconium(II) hydride has repeatedly been the subject of Dirac–Hartree–Fock relativistic calculation studies, which investigate the stabilities, geometries, and relative energies of hydrides of the formula MH4, MH3, MH2, or MH.

Zirconium(II) hydride has a dihedral (C2v) structure. In zirconium(II) hydride, the formal oxidation states of zirconium and hydrogen are +2 and −1, respectively, because the electronegativity of zirconium is lower than that of hydrogen. The stability of metal hydrides with the formula MH2 (M = Ti, Zr, Hf) decreases from Ti to Hf.

Uses

Zirconium(II) hydride is used as a thermal neutron moderator in nuclear reactors and as a material for neutron reflectors in fast reactors.[5]

Zirconium(II) hydride in the form of a powder is used in powder metallurgy as a hydrogenation catalyst, vacuum tube getter, foaming agent in the production of metal foams and as a reducing agent.[5]

References

  1. ^ Lide, David R. (1998), Handbook of Chemistry and Physics (87 ed.), Boca Raton, FL: CRC Press, pp. 4–96, ISBN 0-8493-0594-2
  2. ^ a b c d "Zirconium dihydride".
  3. ^ a b c "Zirconium hydride | H2Zr | ChemSpider".
  4. ^ a b c "Hazardous substance fact sheet" (PDF). nj.gov. New Jersey Department of Health and Senior Services. Retrieved 18 February 2025.
  5. ^ a b c "Zirconium hydride". Haz-Map. Retrieved 18 February 2025.
  6. ^ Chertihin, George V.; Andrews, Lester (1995). "Reactions of laser-ablated Zr and Hf atoms with hydrogen. Matrix infrared spectra of the MH, MH2, MH3, and MH4 molecules". The Journal of Physical Chemistry. 99 (41): 15004–15010. doi:10.1021/j100041a014. ISSN 0022-3654.

See also

  • Zirconium hydride
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