Trimetallic Pentlandites (Fe,Co,Ni)S for the Electrocatalytical HER in Acidic Media.

Recently, pentlandite materials have been shown to exhibit promising properties with respect to the hydrogen evolution reaction (HER). A whole series of trimetallic FeCoNi-pentlandite materials and composites have been synthesized from the elements using high-temperature synthesis and categorized in terms of purity. Furthermore, the electrocatalytic properties regarding the HER were determined and correlated to hydrogen adsorption energies, which were determined by means of density functional theory (DFT) calculations.

Molecularly Defined Manganese Catalyst for Low-Temperature Hydrogenation of Carbon Monoxide to Methanol.

Methanol synthesis from syngas (CO/H mixtures) is one of the largest manmade chemical processes with annual production reaching 100 million tons. The current industrial method proceeds at high temperatures (200-300 °C) and pressures (50-100 atm) using a copper-zinc-based heterogeneous catalyst. In contrast, here, we report a molecularly defined manganese catalyst that allows for low-temperature/low-pressure (120-150 °C, 50 bar) carbon monoxide hydrogenation to methanol.

Matched/Mismatched Cases in Proline-Catalyzed Cascade Reactions with Carbohydrates: A Computational Insight into the Role of d- and l-Proline.

The cascade reactions of carbohydrates with methyl ketones in the presence of proline feature complex running reaction steps. By extensive quantum mechanical simulation, a coherent reaction mechanism was identified matching the experimental data. The present calculations indicate a Mannich reaction/proline hydrolysis/retro aza-Michael cascade to form an intermediate α,β-unsaturated ethyl ketone.