Toward Functional Type III [Fe]-Hydrogenase Biomimics for H2 Activation: Insights from Computation
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Carbon dioxide and the carbonates, the available natural C-1 sources, can be easily hydrogenated into formic acid and formates in water; the rate of this reduction strongly depends on the pH of the solution. This reaction is catalysed by ruthenium(II) pre- ...
Hydrogenation of bicarbonates in water: By using a ruthenium-based catalytic system hydrogenation of sodium bicarbonate was achieved in water in comparable high TONs and yields. The hydrogenation of sodium bicarbonate takes place with the catalytic system ...
Formic acid, containing 4.4 wt% of hydrogen, is a non-toxic liquid at ambient temperature and therefore an ideal candidate as potential hydrogen storage material. Formic acid can be generated via catalytic hydrogenation of CO2 or bicarbonate in the presenc ...
The transformation of lignin-derived phenolic compds. to alkanes was achieved using catalysts based on Bronsted acidic ionic liqs. (ILs). The catalytic system is composed of metal nanoparticles (NPs) and a functionalized Bronsted acidic IL immobilized in a ...
Using density-functional calculations, we investigate the possibility of ammonia synthesis at supported Fe nanoclusters along catalytic routes closely resembling those in biological nitrogen fixation. To achieve similar catalytic conditions as at the activ ...
The direct functionalization of carbon-hydrogen bonds is an emerging tool to establish more sustainable and efficient synthetic methods. We present its implementation in a cascade reaction that provides a rapid assembly of functionalized indanylamines from ...
The main obstacles in the widespread use of hydrogen as energetic alternative to fossil fuels are storage problems intrinsically linked to its extremely light and explosive nature. Since no ideal storage systems currently exist, reversible fixation of hydr ...
The nanoscale description of the reaction pathways and of the role of the intermediate species involved in a chemical process is a crucial milestone for tailoring more active, stable, and cheaper catalysts, thus providing "reaction engineering" capabilitie ...
By means of a joint experimental and theoretical approach we provide single molecule imaging and characterization of CO2 on Ni(110), chemisorbed with high charge transfer from the substrate in an activated state that plays a crucial role in the hydrogenati ...
Supported metal catalysts are important from both an industrial and a scientific point of view. They are used, amongst others, in large-scale processes such as catalytic reforming, hydrotreating, polymerization reactions and hydrogenations. Often, these ca ...