Search results for "Hydrogen"

Oxidative dehydrogenation of ethane: A study over the structure and robustness of Ni–W–O catalysts

2014

[EN] The robustness of one selected Ni-W-O catalyst has been studied in the oxidative dehydrogenation of ethane. This catalyst initially deactivates for the first 10 h online decreasing 15% of its catalytic activity compared to its initial stable catalytic activity. However from 10 to 60 h online the catalytic activity keeps almost stable. On the other hand, it has been shown that the Ni-W-O catalyst cannot tolerate an oxygen-free atmosphere (C-2 and He) as nickel oxide is transformed into metallic nickel. Methane and hydrogen as well as abundant coke were formed on the surface of the catalyst in these O-free conditions. However a re-calcination in air leads to the removal of coke, the cata…

<i>Geminal</i> Parahydrogen-Induced Polarization: Accumulating Long-Lived Singlet Order on Methylene Proton Pairs

2020

Abstract. In the majority of hydrogenative PHIP (Parahydrogen Induced Polarization) experiments, the hydrogen molecule undergoes pairwise cis-addition to an unsaturated precursor to occupy vicinal positions on the product molecule. However, some ruthenium-based hydrogenation catalysts induce geminal hydrogenation, leading to a reaction product in which the twohydrogen atoms are transferred to the same carbon center, forming a methylene (CH2) group. The singlet order of parahydrogen is substantially retained over the geminal hydrogenation reaction, giving rise to a singlet-hyperpolarized CH2 group. Although the T1 relaxation times of the methylene protons are often short, the singlet order h…

2015

One-pot combination of the in-situ generation of hydrogen peroxide (H2O2) with selective oxidation reactions enhances the environmental and economic attractiveness of the use of H2O2 as green oxidant at industrial scale. This tandem reaction improves not only the safety aspects associated to H2O2 storage and transportation but also reduces the capital and operation costs. This review covers the progress in the field focussing on the areas of catalysis development, mechanistic understanding and engineering approaches (such as membrane reactors) for specific systems involving epoxidation of propylene oxide, hydroxylation of benzene, oxygenate synthesis from methane and Fenton processes, highl…

(Z)-1-Chloro-1-[2-(2-nitrophenyl)hydrazinylidene]propan-2-one

2012

The title molecule, C9H8ClN3O3, lies on a mirror plane. Intramolecular N—H...O and N—H...Cl hydrogen bonds occur. One of the nitro O atoms is disordered (site occupancy ratio = 0.40:0.10).

Combined NC-AFM and DFT study of the adsorption geometry of trimesic acid on rutile TiO2(110)

2010

The adsorption behavior of trimesic acid (TMA) on rutile TiO(2)(110) is studied by means of non-contact atomic force microscopy (NC-AFM) and density-functional theory (DFT). Upon low-coverage adsorption at room temperature, NC-AFM imaging reveals individual molecules, centered above the surface titanium rows. Based on the NC-AFM results alone it is difficult to deduce whether the molecules are lying flat or standing upright on the surface. To elucidate the detailed adsorption geometry, we perform DFT calculations, considering a large number of different adsorption positions. Our DFT calculations suggest that single TMA molecules adsorb with the benzene ring parallel to the surface plane. In…

Cocrystal trimorphism as a consequence of the orthogonality of halogen- and hydrogen-bonds synthons.

2019

True trimorphic cocrystals, i.e. multi-component molecular crystals of identical composition that exhibit three polymorphic structures, are exceedingly rare and so far no halogen-bonded cocrystal system has been reported to exhibit trimorphism. Here we describe a unique example of a trimorphic cocrystal exhibiting both hydrogen and halogen bonds in which the differences between polymorphs reveal their orthogonality, evident by the apparently independent variation of well-defined hydrogen- and halogen-bonded motifs. peerReviewed

The enrichment ratio of atomic contacts in crystals, an indicator derived from the Hirshfeld surface analysis

2014

An enrichment ratio is derived from the decomposition of the crystal contact surface between pairs of interacting chemical species. The propensity of different contact types to form is investigated.

Synthesis, Characterization, and Cu(2+) Coordination Studies of a 3-Hydroxy-4-pyridinone Aza Scorpiand Derivative.

2016

The synthesis, acid-base behavior, and Cu(2+) coordination chemistry of a new ligand (L1) consisting of an azamacrocyclic core appended with a lateral chain containing a 3-hydroxy-2-methyl-4(1H)-pyridinone group have been studied by potentiometry, cyclic voltammetry, and NMR and UV-vis spectroscopy. UV-vis and NMR studies showed that phenolate group was protonated at the highest pH values [log K = 9.72(1)]. Potentiometric studies point out the formation of Cu(2+) complexes of 1:2, 2:2, 4:3, 1:1, and 2:1 Cu(2+)/L1 stoichiometries. UV-vis analysis and electrochemical studies evidence the implication of the pyridinone moieties in the metal coordination of the 1:2 Cu(2+)/L1 complexes. L1 shows …

NOx selective catalytic reduction at high temperatures with mixed oxides derived from layered double hydroxides

2012

[EN] Mixed oxides derived from layered double hydroxides (LDHs) have been investigated as potential catalysts for the NOx removal at high temperatures. The best results were obtained with Co–Al mixed oxides derived from LDHs that are active at 750 ◦C in the presence of oxygen and water. These catalysts could reduce or/and decompose the NOx formed in the dense phase of the FCC regenerator, being deactivated at oxygen concentrations higher than 1.5%. Nevertheless this deactivation is not permanent and they would be regenerated after reduction with hydrogen at 530 ◦C. The influence of the layered double hydroxides (LDHs) preparation method on the catalyst activity was studied, observing that t…

Easy Method for the Transformation of Levulinic Acid into Gamma-Valerolactone Using a Nickel Catalyst Derived from Nanocasted Nickel Oxide

2019

Different nickel catalysts have been tested for the transformation of levulinic acid into &gamma