Synthesis, Characterization of a New Carbonylated Zirconium Metallocene Using a Dichloro-Zirconocene Derived From Partially Alkylated S-Indacene

Abstract

This work describes the synthesis and characterization of new organometallic species, an unprecedented mononuclear zirconium complex bearing a tetraalkylated s-indacene ligand, and secondly, its respective dicarbonyl complex obtained by reduction with Mg/HgCl 2 . Theoretical calculations of these two compounds were carried out to gain further understanding of these novel molecular systems.

A new series of zirconium metallocenes derived from partially alkylated s-indacene with potential applications in the polymerization of ethylene

“…Furthermore, these protons appear deshielded compared to proton 3 at 6.5 ppm. Complex 1 shows similar spectroscopic behavior than its analog complex 2 [34].…”

“…Reagent grade solvents were distilled under dinitrogen from sodium benzophenone ketyl (tetrahydrofuran, toluene, hexanes, pentane, diethyl ether). The starting compounds 2,6-diethyl-4,8-dimethyl-1,5-dihydro-s-indacene [26], 2,6-dibutyl-4,8-dimethyl-1,5-dihydro-s-indacene [35], Cp ⁄ ZrCl 3 [36], CpZrCl 3 ÁDME [37] and CpZrCl 2 (2,6-diethyl-1-4,8-dimethyl-1-hydro-s-indacene) (2) [34] were prepared according to previously published methods. n-Butyllithium (1.6 M in hexanes) and C 6 D 6 (C 6 D 6 was dried with Na prior to use) were purchased from Aldrich.…”

“…This contribution describes the general approach for the successful preparation of these molecular species were fully characterized by methods such as 1 H and 13 C NMR spectroscopic analysis, elemental analysis, and mass spectrometry. Complexes 1 and 2 (previously synthesized [34]) were also characterized by X-ray diffraction. In addition, in order to gain further knowledge about their catalytic behavior, the complexes were tested in the catalysis of ethylene polymerization showing a high activity.…”

Synthesis, Characterization and Thermal Properties of Iron Material Including Carbodiimide and S-Indacene Structures

“…Few years ago, we have reported a general route to prepare tetra-and hexaalkylated-s-indacenes considered as voluminous ligand in the ferrocene chemistry. Besides, they are excellent delocalized systems and used to prepare metallocene complexes [21][22][23][24][25] . In a second part of this work, the synthesis and characterization of new iron carbodiimides stabilized by polyalkylates-s-indacenes will be described.…”