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Research of the catalysts activity in the reactions of model compounds and their mutual influence was carried out. Quinoline is able to promote the hydrodesulfurization reaction of dibenzothiophene (DBT), being a source of hydrogen in the system at 260 °C. The possibility of intermolecular hydrogen transfer reactions in the reactions of tetrahydroquinoline and DBT is shown. [ABSTRACT FROM AUTHOR]

Ibuprofen is a well-established non-steroidal anti-inflammatory drug, inhibiting the prostaglandin-endoperoxide synthase. One of the key features defining the ibuprofen structure is the doubly intermolecular O–H⋯O＝C hydrogen bond in cyclic dimers as know from carboxylic acids and confirmed by X-ray analysis. Until now, there was neither information about the vaporization enthalpy of ibuprofen nor about how this thermal property is determined by the subtle balance between different types of intermolecular interaction. In this study we derive the vaporization enthalpy of ibuprofen from thermochemical experiments to be. We dissected the hydrogen bond energy, EHB = 45.0 kJ mol−1, exclusively from measured vaporization enthalpies of related aliphatic carboxylic acids, their homomorph methyl esters and alkyl acetates, respectively. This contribution from hydrogen bonding could be confirmed almost quantitatively from quantum chemical calculations of ibuprofen clusters, which also suggest dispersion interaction of similar order (Edisp = 47 kJ mol−1). Following the full analysis of the gas–vapor transition enthalpy, we studied the changing structural components from the solid to the liquid phase of ibuprofen by means of Attenuated Total Reflection Infrared (ATR-IR) spectroscopy. The cyclic dimers as observed in the X-ray patterns are essentially preserved in the liquid state just above the melting point. However, with increasing temperature the doubly hydrogen-bonded cyclic dimers are replaced by singly hydrogen-bonded linear dimers in the liquid ibuprofen. The transfer enthalpy from the temperature-dependent equilibria of both dimers as obtained from the IR intensity ratios of the vibrational bands quantifies for the first time the energy of the released, single hydrogen bond to be EHB = 21.0 kJ mol−1. Overall, we show that a combination of thermodynamics, infrared spectroscopy and quantum chemistry provides quantification and detailed understanding of structure and molecular interaction in ibuprofen and related compounds. [ABSTRACT FROM AUTHOR]

MoS2/Al2O3 and NiMoS2/Al2O3 catalysts were prepared by incipient wetness impregnation of alumina using aqueous solutions of 12-molybdophosphoric heteropolyacid and nickel citrate. Unsupported catalysts were prepared by etching a support made from MoS2/Al2O3 using hydrofluoric acid (Et-MoS2) and thermal decomposition of aluminum tetrathiomolybdate (Ref-MoS2). The activity of the catalysts in hydrodeoxygenation decreases in the series NiMoS2/Al2O3 = Et-MoS2 > MoS2/Al2O3 > Ref-NiS2. On the other hand, the selectivity relative hydrogenation of oleic acid has a different order: Et-MoS2 > MoS2/Al2O3 > Ref-MoS2 > NiMoS2/Al2O3. The unsupported Et-MoS2 catalyst has similar activity to NiMoS2/Al2O3 in hydrodeoxygenation and the highest selectivity, which indicates virtually completion of the hydrodeoxygenation reaction through a hydrogenation pathway without the formation of CO or CO2. These gases display strong inhibiting properties and have a detrimental eject on the environment. [ABSTRACT FROM AUTHOR]

A series of catalysts have been synthesized Ni-Mo-W/P-Al2O3 with different Mo: W ratios (a sample without W, Mo: W = 2: 1, Mo: W = 1: 1, Mo: W = 1: 2, and a sample without Мо) and a concentration of P2O5 in a support of 0.5 wt %. Heteropoly acids H3PMo12O40 · nH2O and H3PW12O40 · nH2O and nickel citrate were precursors of the active phase. High-resolution transmission electron microscopy and X-ray photoelectron spectroscopy were used to study the surface of the sulfide phase of the samples. Their catalytic activity was estimated in the reactions of dibenzothiophene hydrodesulfurization and naphthalene hydrogenation. A catalyst with the ratio Mo: W = 1: 1 showed the highest activity, and was characterized by the maximum concentration of atomic groups Ni-Mo-W-S, Mo-S, and W-S. [ABSTRACT FROM AUTHOR]

A series of NiMoW/P-Al2O3 catalysts with different Mo/W ratios (sample containing Mo only, Mo/W = 2: 1, Mo/W = 1: 1, Mo/W = 1: 2, and sample containing W only; P2O5 content of the support 2.0 wt %) were synthesized. The precursors of the active phase were the heteropoly acids H3PMo12O40∙nH2O and H3PW12O40∙nH2O, and also nickel citrate. The sulfide phase in the samples was studied by high-resolution transmission electron microscopy and X-ray photoelectron spectroscopy; the catalytic activity of the samples in dibenzothiophene hydrodesulfurization and naphthalene hydrogenation was determined. For the dibenzothiophene hydrogenolysis in the presence of quinoline and naphthalene (content in the model mixture, wt %: dibenzothiophene 0.3, naphthalene 1.5, and quinoline 0.5), kHDS for different samples is in the range 17.6-42.5 h-1 at 275°C and 24.6-45.9 h-1 at 300°C. For the naphthalene hydrogenation, kHYD varies from 0.79 to 1.89 h-1 at 275°C and from 0.91 to 3.78 h-1 at 300°C. The sample based on molybdenum showed the highest activity in hydrogenation and hydrodesulfurization. [ABSTRACT FROM AUTHOR]