A diiron benzenedithiolate hydrogen-evolving catalyst immobilized onto fluorine-doped tin oxide (FTO) electrodes is prepared, characterized, and studied in the context of the development of water splitting devices based on molecular components. FTO was chosen as the preferred electrode material owing to its conductive properties and electrochemical stability. An FTO nanocrystalline layer is als...

Solvent-free copolymerization of epoxides derived from fatty esters of waste cooking oil with phthalic anhydride using (salen)CrIIICl as catalyst and n-Bu₄NCl/DMAP (tetrabutylammonium chloride/4-(dimethylamino)pyridine) as co-catalysts was carried out for the first time under microwave irradiation, where reaction time was reduced from a number of hours to minutes. The polyesters were obtained w...

Catalytic polymerization of ethylene in aqueous emulsion by in situ catalysts based entirely on compounds commercially available from standard chemicals suppliers, namely a chlorinated derivative of 1,4-benzoquinone, triphenylphosphine, and bis(1,5-cyclooctadiene)nickel, is reported. Using miniemulsions of catalyst solutions in a small amount of hydrocarbon solvent for polymerization, stable di...

A Vaska-type complex carrying a ferrocene-appended diphosphine ligand was developed as a prototype of autonomous molecular machines that is able to undergo continuous scissoring motion in the presence of diphenylphosphoryl azide and aldehyde.

Visible-light driven CO2 reduction is considered to be a sustainable energy source. However, earth-abundant molecular catalysts with high efficiency and robustness towards solar-driven CO2 reduction are limited. Herein, we report a cobalt complex supported by a tetradentate tripodal ligand, which demonstrates catalytic solar-driven CO2 reduction with TON(CO) > 900 over 70 h in the presence of a...

Accurate active-site counts are necessary for the establishment of olefin polymerization kinetics, yet current techniques are often tedious and limited in sensitivity. Herein, we describe the development of a novel method for determining the fraction of initiated catalyst using standard gel-permeation chromatography (GPC). The first insertion of monomer into the chromophore-bearing zirconocene ...

Classical and ab initio, density functional theory- and semiempirical-based molecular simulation, including molecular dynamics, have been carried out to compare and contrast the effect of explicit and implicit solvation representation of tetrahydrofuran (THF) solvent on the structural, energetic, and dynamical properties of a novel bifunctional arene ruthenium catalyst embedded therein. Particu...

Molecular structure and vibrational frequencies of the novel surface enolic species intermediate on Ag/Al2O3 have been investigated by means of density functional theory (DFT) calculations and in situ infrared spectroscopy. The geometrical structures and vibrational frequencies were obtained at the B3P86 levels of DFT and compared with the corresponding experimental values. Theoretical calculat...

4-N,N-Dimethylaminopyridine (DMAP) as catalyst in combination with benzyl bromide was developed for the selective oxidation of methyl aromatics. DMAP exhibited higher catalytic activity than other pyridine analogues, such as 4-carboxypyridine, 4-cyanopyridine and pyridine. The sp3 hybrid carbon-hydrogen (C-H) bonds of different methyl aromatics were successfully oxygenated with molecular oxygen...

N-methyl imidazolium phosphotungstic salt has been synthesized and used as a special catalyst for photopolymerization of vinyl monomers. This is a fast and smooth reaction, and high molecular weight polymers with narrow polydispersity are obtained within 60 min. The compound was structurally characterized by elemental analysis, IR spectroscopy, and 1H NMR spectroscopy. The electrochemical prope...