A steric control on the reductive capacity of ytterbocenes towards iminopyridine ligands is described. The reaction of (η(5)-C(9)H(7))(2)Yb(THF)(2) with a series of 6-organyl-2-(aldimino)pyridyl ligands (IPy) takes place with the replacement of two THF molecules by one IPy unit. In contrast to the rich reductive ytterbocene chemistry described in the presence of the unsubstituted (aldimino)pyri...

The spin-dependent transport properties of single ferrocene, cobaltocene, and nickelocene molecules attached to the sidewall of a (4,4) armchair single-walled carbon nanotube via a Ni adatom are investigated by using a self-consistent ab initio approach that combines the non-equilibrium Green's function formalism with the spin density functional theory. Our calculations show that the Ni adatom ...

Small-angle neutron scattering (SANS) is employed to investigate the structure and longchain branch (LCB) content of metallocene-catalyzed polyethylene (PE). A novel scaling approach is applied to SANS data to determine themole fraction branch content (φbr) of LCBs in PE. The approach also provides the average number of branch sites per chain (nbr) and the average number of branch sites per min...

In this study we have tested the ability of a standard DFT computational protocol to reproduce the experimentally obtained stereoselectivity of 26 different C2-symmetric zirconocene catalysts active in propylene polymerization. The catalysts were chosen for their relevance in metallocene catalyzed polymerization of propylene. To this end, primary insertion of both si- and re-propylene enantiofa...

in this study we have tested the ability of a standard dft computational protocol to reproduce the experimentally obtained stereoselectivity of 26 different c2-symmetric zirconocene catalysts active in propylene polymerization. the catalysts were chosen for their relevance in metallocene catalyzed polymerization of propylene. to this end, primary insertion of both si- and re-propylene enantiofa...

beside ziegler-natta and phillips catalysts the development of methylaluminoxane (mao) as cocatalyst incombination with metallocenes or other transition metal complexes for the polymerization of olefins haswidely increased the possibilities in controlling the polymer composition, polymer structure, tacticity and special properties with high precision. these catalysts allow the synthesis of isot...

The first trimetallic dysprosocenium single-molecule magnet is described. This material signposts a polycationic dysprosium metallocene SMM with properties that could surpass those of leading systems.