Search results for "Hydrogen"
showing 10 items of 4254 documents
Effective Recovery Process of Copper from Waste Printed Circuit Boards Utilizing Recycling of Leachate
2020
AbstractThis study presents an optimized leaching and electrowinning process for the recovery of copper from waste printed circuit boards including studies of chemical consumption and recirculation of leachate. Optimization of leaching was performed using response surface methodology in diluted sulfuric acid and hydrogen peroxide media. Optimum leaching conditions for copper were found by using 3.6 mol L−1 sulfuric acid, 6 vol.% hydrogen peroxide, pulp density of 75 g L−1 with 186 min leaching time at 20°C resulting in complete leaching of copper followed by over 92% recovery and purity of 99.9% in the electrowinning. Study of chemical consumption showed total decomposition of hydrogen pero…
Diastereomeric control of enantioselectivity: evidence for metal cluster catalysis
2014
Enantioselective hydrogenation of tiglic acid effected by diastereomers of the general formula [(μ-H)2Ru3(μ3-S)(CO)7(μ-P–P*)] (P–P* = chiral Walphos diphosphine ligand) strongly supports catalysis by intact Ru3 clusters. A catalytic mechanism involving Ru3 clusters has been established by DFT calculations. peerReviewed
Determination of the atmospheric precipitation pH value on the basis of the analysis of lichen cationoactive layer constitution
2006
Studies of equilibria and kinetics of the ion exchange process between the surrounding (water solution) and lichens prove that the number of mobile hydrogen ions bonded in lichens depends on the concentration of hydrogen ions in the precipitation with which the lichens are in contact and the type and concentration of other cations contained in the precipitation. The measurement of these values was suggested; as a result, it enabled to determine the pH of precipitation by determination of mobile cations bonded in exposed or naturally grown lichens. The studies were conducted on Hypogymnia physodes lichens.
Gas-Phase Hydrogenation of Propionitrile Catalyzed by LnCu2 (Ln = La, Ce, Pr, Nd)
2007
The hydrogenation of propionitrile over binary copper−lanthanide intermetallic compounds (LnCu2, Ln = La, Ce, Pr, Nd) was studied in the gas phase. The results show that the reaction main product is the primary amine, the n-propylamine. To our knowledge, it is the first time that such behavior is reported for copper catalysts.
Self-assembly mechanism based on charge density topological interaction energies
2017
The packing interactions have been evaluated in the context of the self-assembly mechanism of crystal growth and also for its impacts on the aromaticity of the trimesate anion. The structure of ethylammonium trimesate hydrate (1) measured at 100 K and a charge density model, derived in part from theoretical structures, is reported. Theoretical structure factors were obtained from the geometry-optimized periodic wave function. The trimesic acid portion of 1 is fully deprotonated and participates in a variety hydrogen bonding motifs. Topological analysis of the charge density model reveals the most significant packing interactions and is then compared to a complementary analysis performed by …
Determination of basic strenght of aliphatic amines through ion pair formation in some ionic liquid solutions
2010
To have an evaluation of the basic strength of aliphatic amines in ionic liquid solution, the stability constants relevant to the formation of amine/p-nitrophenol ion pairs were determined in different ionic liquids at 298 K. In particular, aliphatic (pyrrolidinium) and aromatic (imidazolium) ionic liquids were used. Imidazolium ions, bmim(+) and bm(2)im(+), having different hydrogen bond donor abilities were taken into account. Anions were chosen ([BF(4)(-)], [PF(6)(-)], and [NTf(2)(-)]; where NTf(2) = bis(trifluoromethansulfonyl)imide) showing different shape, size, and coordination ability. Several primary, secondary (cyclic or not), and tertiary amines were used to study the effect of a…
The Photocycle of Bacteriophytochrome Is Initiated by Counterclockwise Chromophore Isomerization.
2022
Photoactivation of bacteriophytochrome involves a cis–trans photoisomerization of a biliverdin chromophore, but neither the precise sequence of events nor the direction of the isomerization is known. Here, we used nonadiabatic molecular dynamics simulations on the photosensory protein dimer to resolve the isomerization mechanism in atomic detail. In our simulations the photoisomerization of the D ring occurs in the counterclockwise direction. On a subpicosecond time scale, the photoexcited chromophore adopts a short-lived intermediate with a highly twisted configuration stabilized by an extended hydrogen-bonding network. Within tens of picoseconds, these hydrogen bonds break, allowing the c…
Iodine Clathrated : A Solid-State Analog of the Iodine-Starch Complex
2019
Co-crystallizing iodine with a simple dicationic salt (1,8- diammoniumoctane chloride) results in the clathration of the iodine (I2) molecules inside trigonal and hexagonal helical channels of the crystal lattice with 72 wt% overall I2 loading. The I2 inside the bigger trigonal channel forms a I-I•••I-I•••I-I halogen-bonded infinite helical chain, while the I2 in the smaller hexagonal channel is disordered. In both channels the I2 interaction with the channel wall happens through I-I•••Cl- halogen bonds. The helical channels in the crystal lattice are constructed via the strong charge-assisted H2N+ -H•••Cl- hydrogen bonds between the dications and the chloride anions. The structure shows a …
FTIR matrix isolation and theoretical studies of glycolic acid dimers
2018
Glycolic acid (GA) dimers were studied in low temperature argon matrices by means of FTIR spectroscopy. Experimentally, the dimers were produced when monomeric glycolic acid molecules were thermally mobilized upon annealing of argon matrices at 25–35 K. The experimental spectra observed upon annealing indicate the presence of three different dimer structures. Computationally, MP2 and DFT calculations were used to study the potential dimer species in order to scrutinize the possible dimer structures, their energetics and their spectral features. Altogether 27 local minima were found for dimer structures for the three lowest conformers of glycolic acid considered based on previous studies on …
Tridentate C–I⋯O−–N+ halogen bonds
2017
The X-ray structures of the first co-crystals where the three oxygen lone pairs in N-oxides are fully utilized for tridentate C–I⋯O−–N+ halogen bonding with 1,ω-diiodoperfluoroalkanes are reported, studied computationally, and compared with the corresponding silver(I) N-oxide complexes. peerReviewed