1265631-31-9

Basic information

• Product Name: [Me2Si(C5H4)2Zr(μ-H)3(Al(i-Bu)2)2][B(C6F5)4]
• CAS NO: 1265631-31-9
• Molecular Weight: 1242.04
• Mol File: 1265631-31-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: [Me2Si(C5H4)2Zr(μ-H)3(Al(i-Bu)2)2][B(C6F5)4](CAS DataBase Reference)
• NIST Chemistry Reference: [Me2Si(C5H4)2Zr(μ-H)3(Al(i-Bu)2)2][B(C6F5)4](1265631-31-9)
• EPA Substance Registry System: [Me2Si(C5H4)2Zr(μ-H)3(Al(i-Bu)2)2][B(C6F5)4](1265631-31-9)

Safety Data

• Hazardous Substances Data: 1265631-31-9(Hazardous Substances Data)

Upstream product

• 86050-32-0 dimethylsilylenebiscyclopentadienylzirconium dichloride 
• 1191-15-7 diisobutylaluminium hydride 

Relevant articles and documents

Cationic alkylaluminum-complexed zirconocene hydrides: NMR-spectroscopic identification, crystallographic structure determination, and interconversion with other zirconocene cations

The ansa-zirconocene complex rac-Me2Si(1-indenyl) 2ZrCl2 ((SBI)ZrCl2) reacts with diisobutylaluminum hydride and trityl tetrakis(perfluorophenyl)borate in hydrocarbon solutions to give the cation [(SBI)Zr(μ-H)3(Al iBu2)2]+, the identity of which is derived from NMR data and supported by a crystallographic structure determination. Analogous reactions proceed with many other zirconocene dichloride complexes. [(SBI)Zr(μ-H)3(AliBu 2)2]+ reacts reversibly with ClAl iBu2 to give the dichloro-bridged cation [(SBI)Zr(μ-Cl)2AliBu2]+. Reaction with AlMe3 first leads to mixed-alkyl species [(SBI)Zr(μ-H) 3(AlMexiBu2-x)2] + by exchange of alkyl groups between aluminum centers. At higher AlMe3/Zr ratios, [(SBI)Zr(μ-Me)2AlMe2] +, a constituent of methylalumoxane-activated catalyst systems, is formed in an equilibrium, in which the hydride cation [(SBI)Zr(μ-H) 3(AlR2)2]+ strongly predominates at comparable HAliBu2 and AlMe3 concentrations, thus implicating the presence of this hydride cation in olefin polymerization catalyst systems.