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Zirconocene dichloride

Identifiers
CAS Number	1291-32-3
ECHA InfoCard	100.013.697
PubChem CID	10891641
CompTox Dashboard (EPA)	DTXSID7026318
Properties
Chemical formula	C10H10Cl2Zr
Molar mass	292.31 g·mol
Appearance	white solid
Solubility in water	Soluble (Hydrolysis)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is  ?) Infobox references

Zirconocene dichloride is an organometallic compound composed of a zirconium central atom, with two cyclopentadienyl and two chloro ligands.

Preparation

Zirconocene dichloride may be prepared from zirconium(IV) chloride-THF complex and sodium cyclopentadienide:

ZrCl₄(THF)₂ + 2 NaCp → Cp₂ZrCl₂ + 2 NaCl + 2 THF

Reactions

In the laboratory, zirconocene dichloride is easily reacted with lithium aluminium hydride to give Cp₂ZrHCl Schwartz's reagent:

(C₅H₅)₂ZrCl₂ + /₄ LiAlH₄ → (C₅H₅)₂ZrHCl + /₄ "LiAlCl₄"

As lithium aluminium hydride is a strong reductant, some over-reduction occurs to give the dihydrido complex, Cp₂ZrH₂; treatment of the product mixture converts it to Schwartz's reagent.

References

1. G. Wilkinson and J.G. Birmingham (1954). "Bis-cyclopentadienyl Compounds of Ti, Zr, V, Nb and Ta". J. Am. Chem. Soc. 76 (17): 4281–4284. doi:10.1021/ja01646a008.
2. S. L. Buchwald, S. J. LaMaire, R. B. Nielsen, B. T. Watson, and S. M. King. "Schwartz's Reagent". Organic Syntheses{{cite journal}}: CS1 maint: multiple names: authors list (link); Collected Volumes, vol. 9, p. 162.

Further reading

• A. Maureen Rouhi (1998). "Organozirconium Chemistry Arrives". C&EN News. 82 (16): 162.

• Organozirconium compounds
• Metallocenes
• Chlorides