Tetrabenzylzirconium

Chemical compound From Wikipedia, the free encyclopedia

Tetrabenzylzirconium is an organozirconium compound with the formula Zr(CH2C6H5)4. The molecule features diamagnetic Zr(IV) bonded to four benzyl ligands. It is an orange air- and photo-sensitive solid, which is soluble in hydrocarbon solvents. The compound is a precursor to catalysts for the polymerization of olefins.[2] [3]

Quick facts Identifiers, Properties ...
Tetrabenzylzirconium
Identifiers
3D model (JSmol)
ChemSpider
  • InChI=1S/4C7H7.Zr/c4*1-7-5-3-2-4-6-7;/h4*2-6H,1H2;/q4*-1;+4
    Key: QSLMQGXOMLSFAW-UHFFFAOYSA-N
  • [CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+4]
Properties
C28H28Zr
Molar mass 455.756 g·mol−1
Appearance orange solid
Density 1.34-1.39 g/cm3[1]
Melting point 133–134 °C (271–273 °F; 406–407 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Structure, synthesis, reactions

Structure of tetrabenzylzirconium as determined by X-ray crystallography, with H atoms omitted for clarity.[1]

X-ray crystallography demonstrates that the benzyl ligands are highly flexible: one polymorph features four η2-ligands, whereas another has two η1- and two η2-benzyl ligands.[1]

The compound is prepared by combining benzylmagnesium chloride and zirconium tetrachloride in diethyl ether.[4]

Tetrabenzylzirconium readily undergoes protonolysis, e.g. with hydrogen chloride:

Zr(CH2C6H5)4 + HCl → Zr(CH2C6H5)3Cl + CH3C6H5

References

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