RuCl2(P–OP)(N–N) complexes containing an atropisomerizable phosphine–phosphite and a chiral diamine are effective catalyst precursors for the asymmetric hydrogenation of N-aryl imines following outer-sphere mechanism.

Hydrogenation of oils might be considered as the largest reaction in the edible oil industry. The reaction consists of the addition of hydrogen at the double bounds of fatty acids. Although for some reasons this might be considered a desirable reaction but for some others it might create problems in the food and nutrition chain circle due to the formation of saturated and trans fatty acids. Soy...

We use density functional theory (DFT) calculations to investigate the mechanism of CO2 hydrogenation to methanol on a reduced ceria (110) catalyst, which has previously been shown to activate CO2. Two reaction channels to methanol are identified: (1) COOH pathway via a carboxyl intermediate and (2) HCOO pathway via a formate intermediate. While formaldehyde (H2CO) appears to be the key interme...

A system for transfer hydrogenation of alkenes, composed of a ruthenium metathesis catalyst and HCOOH, is presented. This operationally simple system can be formed directly after a metathesis reaction to effect hydrogenation of the metathesis product in a single-pot. These hydrogenation conditions are applicable to a wide range of alkenes and offer remarkable selectivity.

Asymmetric transfer hydrogenation (ATH) of cyclic imines using [RuCl(η(6)-p-cymene)TsDPEN] (TsDPEN = N-tosyl-1,2-diphenylethylenediamine) was tested with various aliphatic (secondary, tertiary) and aromatic amines employed in the HCOOH-base hydrogen donor mixture. Significant differences in reaction rates and stereoselectivity were observed, which pointed to the fact that the role of the base i...

The reaction mechanism of CO₂ hydrogenation catalyzed by [FeH(PP₃)]BF₄ (PP₃ = P(CH₂CH₂PPh₂)₃) had been investigated by DFT calculations. Our calculations indicated that the reduction of carbon dioxide could be carried out via two spin states, the high-spin (HS) triplet state and the low-spin (LS) singlet state. The minimum energy crossing points (MECPs) on the seam of two intersecting PESs (pot...

Recently, surface passivated Si nanocrystallites are prepared by pulsed laser ablation (PLA) of Si target in hydrogen gas. Plume analysis during PLA is one of the available methods to clarify a mechanism of surface hydrogenation. We observed plume emission by timeand space-resolved spectroscopy. The dominant species were exited neutral Si atoms and SiH species when the delay time is longer than...

Controlled synthesis of both single-walled carbon nanotube and carbon nanowire networks using the same CVD reactor and Fe/Al(2)O(3) catalyst by slightly altering the hydrogenation and temperature conditions is demonstrated. Structural, bonding and electrical characterization using SEM, TEM, Raman spectroscopy, and temperature-dependent resistivity measurements suggest that the nanotubes are of ...