The heterogeneous surface support can play a key role in determining polymer microstructure, as we show for novel variant of Ni-catalyst from the family late-transition metal complexes; this extends toolbox catalytic solutions industrial processes. Novel variants single-atom catalysts (Ni-FO-Al@SiO2, Ni-FO-Si@SiO2, Ni-O-Al@SiO2, and Ni-O-Si@SiO2) were prepared form unsymmetrical a-diimine Ni co...

Recently, it has been demonstrated that intermetallic compounds composed of Pd and Ga or Co and Al provide excellent selectivity for the hydrogenation of acetylene to ethylene. Motivated by experimental works on GaPd catalysts, we have performed a detailed ab initio study of acetylene hydrogenation by the pseudo 5-fold (120) surface of the isostructural and isoelectronic AlPd compound crystalli...

Treatment of p-tert-butylcalix[6]areneH6 (L(6)H6) with in situ [LiVO(Ot-Bu)4] afforded, after work-up, the dark green complex [Li(MeCN)4][V2(O)2Li(MeCN)(L(6)H2)2]·8MeCN (1·8MeCN). On one occasion, the reaction led to the formation of a mixture of products, the bulk of which differing from 1 only in the amount of solvate, viz.2·9.67MeCN. The second minor, yellow product has the formula {[(VO2)2(...

Octahedral titanium and zirconium complexes based on salicyloxazoline ligands with sterically demanding ortho-substituents provide a new family of extremely active ethene polymerization catalysts [up to 10(8) g PE (mol bar h)(-1)] which are in some cases "single site".

Chiral indium salen complexes are highly active, isoselective catalysts for the ring opening polymerization of racemic lactide. The polymerizations are well controlled and polymers with high molecular weights and low molecular weight distributions are obtained. Preliminary kinetic investigations with the enantiopure complex confirm enantiomorphic site control as the dominant contributor to sele...

The generation of laterally structured patterns of conju gated, conductive polymers on flat substrates is a key step in the development of new technologies for the production of, for example, displays or low cost flexible circuits. Printing and related procedures, in which the pattern of the individual pieces produced can also differ from one another, are patterning techniques suited for mass p...

Introduction Approaching 100% selectivity in heterogeneous catalytic reactions is an ultimate objective of catalyst discovery and is critical for the design of efficient, environmentally friendly processes. This work focuses on an example where shape controlled synthesis of silver nano-particles has been utilized along with Density Functional Theory (DFT) calculations to design heterogeneous si...

?-Diimine Ni and Pd complexes are one of the most examined late-transition organometallics in application catalyzed ethylene (co)polymerization. These organometallic catalysts provide unique advantages particular opportunities to tailor architectures, composition, topology synthesized polymers through polymerization. Two decades after their initial discovery, they still drawing extensive attent...

Single-site polymerization catalysts enable exquisite control over alkene polymerization reactions to produce new materials with unique properties. Knowledge of catalyst speciation and fundamental kinetics are essential for full mechanistic understanding of zirconocene-catalyzed alkene polymerization. Currently the effect of activators on fundamental polymerization steps is not understood. Prog...