Zirconocene dichloride

Zirconocene dichloride
Identifiers
CAS number 1291-32-3 Y
PubChem 10891641
Properties
Molecular formula C10H10Cl2Zr
Molar mass 292.32 g mol−1
Appearance white solid
Solubility in water Soluble (Hydrolysis)
Hazards
MSDS CAMEO Chemicals MSDS
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Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references

Zirconocene dichloride is an organozirconium compound composed of a zirconium central atom, with two cyclopentadienyl and two chloro ligands. It is a colourless diamagnetic solid that is somewhat stable in air.

Contents

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

The closely related compound Cp2ZrBr2 was first described by Birmingham and Wilkinson.[1]

Reactions

Zirconocene dichloride reacts with lithium aluminium hydride to give Cp2ZrHCl Schwartz's reagent:

(C5H5)2ZrCl2 + 1/4 LiAlH4 → (C5H5)2ZrHCl + 1/4 "LiAlCl4"

Since 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.[2]

References

  1. ^ G. Wilkinson and J. M. 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", Org. Synth., http://www.orgsyn.org/orgsyn/orgsyn/prepContent.asp?prep=CV9P0162 ; Coll. Vol. 9: 162 

Further reading