Synonyms:Cp2ZrCl2 cpd;zirconocene;Zirconocene dichloride
The study focuses on the synthesis and characterization of zirconocene amides and ketimides, specifically [Cp2Zr(Cl)N(CH2Ph)2] (5), [Cp2Zr(Cl)NC(But)Ph] (7), and [Cp2Zr(Cl)NC(NMe2)2] (9), along with their methylated derivatives. These compounds were prepared through transmetallation reactions between lithiated organonitrogen compounds and zirconocene dichloride (2). The synthesized complexes were then tested for their activity as catalysts in the polymerization of ethylene, with a particular interest in understanding the effects of using amides and ketimides as alternatives to cyclopentadienyl ligands in these systems. The purpose of these chemicals was to explore new catalysts for polyolefin production, with the aim of potentially improving the efficiency and properties of the resulting polymers. The study also investigated the influence of different ligand configurations on the catalytic activity, and the results indicated that these complexes are active catalysts for ethylene polymerization, but only when activated by a cocatalyst that replaces the amide or ketimide component with an alkyl group.
The study focuses on the synthesis, characterization, and application of three air-stable zirconocene perfluorooctanesulfonates, which are cationic binuclear complexes. These complexes, synthesized by treating C8F17SO3Ag with (RCp)2ZrCl2 (where R is H, n-Bu, or t-Bu), have m2-hydroxyl bridged cationic binuclear structures and exhibit water tolerance, air/thermal stability, and strong Lewis acidity. The complexes were characterized using various techniques including X-ray analysis, and they were found to be highly catalytically active in various reactions involving C-C bond formation, making them potentially useful in organic chemistry. The chemicals used in the study include zirconocene derivatives, perfluorooctanesulfonates, and different solvents and reagents for the synthesis and characterization processes. The purpose of these chemicals was to create novel catalysts that could be used in organic reactions, particularly for C-C bond formation, with the aim of improving the efficiency, eco-friendliness, and atom economy of such reactions.
The study focuses on the formation and structural characterization of a five-membered zirconacycloallenoid, a type of metallocene complex, through the reaction of a conjugated enyne with in situ generated zirconocene. The resulting compound was thoroughly analyzed using X-ray diffraction, revealing its unique structure and bonding characteristics. The research also explored the compound's reactivity, demonstrating its distinct behavior in reactions with additional zirconocene and acetonitrile, leading to the formation of different complexes. This work not only provides detailed insights into the structure and properties of metallacycloallenoid complexes but also uncovers new chemical reactions and potential applications in organometallic chemistry.
The research investigates the hydrogenolysis of alkyl zirconocene compounds, focusing on the differences in reaction rates and mechanisms between bridged and unbridged derivatives. The study utilized various zirconocene derivatives, including (C5(CH3)5)2Zr(X)CH2C(CH3)3 (where X = F, Cl, Br) and their ethylene-bridged counterparts C5H4(C5(CH3)5)Zr(X)CH2C(CH3)3. It was found that the hydrogenolysis rate of the alkyl halides was significantly reduced when the ring ligands were interconnected by an ethylene bridge, while the alkyl hydrides reacted too quickly for kinetic measurements at room temperature. The research suggests that hydrogenolysis of alkyl halides proceeds via an indirect ring-mediated hydrogen transfer reaction, which is only feasible with freely rotating ring ligands, whereas alkyl hydrides undergo direct hydrogen transfer without such limitations. The study also observed an inverse kinetic isotope effect for reactions with D2, indicating the involvement of a complex reaction mechanism. The chemicals that played a crucial role in this research include various zirconocene derivatives with different substituents (fluoride, chloride, bromide, and hydride), molecular hydrogen (H2), deuterium (D2), and neopentyl-lithium for the preparation of mono-neopentyl mono-halide derivatives.
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