130638-44-7

Basic information

• Product Name: Isopropylidene(cyclopentadienyl-9-fluorenyl) zirconium dichloride
• Synonyms: Isopropylidene(cyclopentadienyl)(9-fluorenyl)zirconium(IV)Dichloride
• CAS NO: 130638-44-7
• Molecular Formula: C₂₁H₁₈Cl₂Zr
• Molecular Weight: 431.48968
• Mol File: 130638-44-7.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Isopropylidene(cyclopentadienyl-9-fluorenyl) zirconium dichloride(CAS DataBase Reference)
• NIST Chemistry Reference: Isopropylidene(cyclopentadienyl-9-fluorenyl) zirconium dichloride(130638-44-7)
• EPA Substance Registry System: Isopropylidene(cyclopentadienyl-9-fluorenyl) zirconium dichloride(130638-44-7)

Safety Data

• Hazardous Substances Data: 130638-44-7(Hazardous Substances Data)

Upstream product

• 10026-11-6 zirconium(IV) chloride 

Downstream Products

• 141217-58-5 (CH₃)2C(C₅H₄)(C₁₃H₉)Zr(CH₂C₆H₅)2 

Relevant articles and documents

Preparation and crystal structures of the complexes (η5-C5H4CMe2-η5-C13H8)MCl2 (M = Zr, Hf) and their role in the catalytic formation of syndiotactic polypropylene

The reactions of MCl4 (M = Zr, Hf) with the dilithium salt of 2-cyclopentadienyl-2-fluorenylpropane in pentane solution give the complexes (η5-C5H4CMe2-η5-C13H8)MCl2.NMR and X-ray diffraction data show that there are η5-bo

In Situ Activation: Chances and Limitations to Form Ultrahigh Molecular Weight Syndiotactic Polypropylene with Metallocene Dichlorides

Fluorenyl cyclopentadienyl Cs-symmetric ansa-metallocene (M = Zr, Hf) complexes I-IV featuring different bridging motifs (C and Si) were synthesized and subsequently examined in the syndiospecific coordinative polymerization of propylene. All complexes were activated in situ with triisobutylaluminum (TIBA) and [Ph3C][B(C6F5)4] (TrBCF) in order to highlight the benefits of this in situ activation, resulting in a significantly higher molecular weight and a significantly increased productivity in comparison to methylaluminoxane (MAO). The isopropylidene-bridged zirconocene Ia (ZrCl2[Me2C(η5-Flu)( η5-Cp)]) exhibited a high productivity (80000 kgPP (molcat h)-1) and stereoregularity ([rrrr] up to 93%) with a moderate molecular weight of polypropylene (PP), whereas the polymerization with the corresponding hafnocene Ib (HfCl2[Me2C(η5-Flu)( η5-Cp)]) resulted in a lower productivity and stereoregularity but yielded ultrahigh molecular weight polypropylene (Mw = 1100 kg mol-1). The backbone in II (HfCl2[Ph2C(η5-Flu)( η5-Cp)]) was associated with a higher productivity and molecular weight, while the syndiotacticity was not affected. In contrast, SC-XRD revealed a reduced dihedral angle and D value for Si-bridged hafnocenes III (HfCl2[Me2Si(η5-Flu)( η5-Cp)]) and IV (HfCl2[Ph2Si(η5-Flu)( η5-Cp)]), resulting in a more constrained geometry of the catalyst. This led to an increased molecular weight, while the productivity as well as the syndiotacticity decreased due to these structural parameters. Activation of Ib and II-IV with n-octyl-modified methylaluminoxane (MMAO) resulted in a lower molecular weight of the polymer, because the transfer of the growing polymer chain onto the Al center was enhanced. Nevertheless, the stereoregularity of MMAO-activated catalysts was slightly increased, probably due to a coordination of the ill-defined MMAO anion during the polymerization. DSC analysis exposed for syndiotactic polypropylene (sPP) produced by the highly active zirconocene Ia a defined melting transition (Tm up to 145.2 °C), whereas TIBA/TrBCF-activated hafnocenes Ib and II-IV gave polymers with no observable Tm value.