Zirconocene

Zirconocene
Names
	IUPAC name Bis(η5-cyclopentadienyl)zirconium
	Other names * Bis(η5-cyclopentadienyl)zirconium(II) Di(cyclopentadienyl)zirconium; [(η5-C5H5)2Zr]; [(Cp)2Zr];
Identifiers
CAS Number	12116-83-5;
3D model (JSmol)	Interactive image;
	InChI InChI=1S/2C5H5.Zr/c21-2-4-5-3-1;/h21-5H;/q2*-1;+2 Key: IDASTKMEQGPVRR-UHFFFAOYSA-N;
	SMILES [CH-]1C=CC=C1.[CH-]1C=CC=C1.[Zr+2];
Properties
Chemical formula	C10H10Zr
Molar mass	221.40 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Zirconocene is a hypothetical compound with 14 valence electrons, which has not been observed or isolated. It is an organometallic compound consisting of two cyclopentadienyl rings bound on a central zirconium atom. A crucial question in research is what kind of ligands can be used to stabilize the Cp₂Zr^II metallocene fragment to make it available for further reactions in organic synthesis.^[1]

^ Rosenthal, Uwe; Burlakov, Vladimir V. (2002), Titanium and Zirconium in Organic Synthesis, Wiley-VCH Verlag GmbH & Co. KGaA, pp. 355–389, doi:10.1002/3527600671.ch10, ISBN 978-3527304288

Names

IUPAC name Bis(η⁵-cyclopentadienyl)zirconium
Other names * Bis(η⁵-cyclopentadienyl)zirconium(II) Di(cyclopentadienyl)zirconium [(η⁵-C₅H₅)₂Zr] [(Cp)₂Zr]
Identifiers
CAS Number	12116-83-5
3D model (JSmol)	Interactive image
InChI InChI=1S/2C5H5.Zr/c21-2-4-5-3-1;/h21-5H;/q2*-1;+2 Key: IDASTKMEQGPVRR-UHFFFAOYSA-N
SMILES [CH-]1C=CC=C1.[CH-]1C=CC=C1.[Zr+2]
Properties
Chemical formula	C₁₀H₁₀Zr
Molar mass	221.40 g·mol⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references