Selective Hydrogenation of Acrolein to Propanal on a Pseudomorphic Pt/Ru(001) Bimetallic Surface

Esan, Dominic A.; Trenary, Michael

doi:10.1007/s11244-017-0857-2

Cited by 7 publications

(8 citation statements)

References 39 publications

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“…Only 1 ML PtRu(001) alloys exhibited the hydrogenation activity, but the major product was propanal, similar to H-covered Pt(111). 259 Therefore, the addition of Pt increased the reactivity but did not suppress the decomposition.…”

Section: Ru As the Lewis Acid Sitementioning

confidence: 99%

Guidelines to Achieving High Selectivity for the Hydrogenation of α,β-Unsaturated Aldehydes with Bimetallic and Dilute Alloy Catalysts: A Review

et al. 2020

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Selective hydrogenation of α,ß-unsaturated aldehydes to unsaturated alcohols is a challenging class of reactions, yielding valuable intermediates for the production of pharmaceuticals, perfumes, and flavorings. On monometallic heterogeneous catalysts, the formation of the unsaturated alcohols is thermodynamically disfavored over the saturated aldehydes. Hence, new catalysts are required to achieve the desired selectivity. Herein, the literature of three major research areas in catalysis is integrated as a step toward establishing the guidelines for enhancing the selectivity: reactor studies of complex catalyst materials at operating temperature and pressure; surface science studies of crystalline surfaces in ultrahigh vacuum; and first-principles modeling using density functional theory calculations. Aggregate analysis shows that bimetallic and dilute alloy catalysts significantly enhance the selectivity to the unsaturated alcohols compared to monometallic catalysts. This comprehensive review focuses primarily on the role of different metal surfaces as well as the factors that promote the adsorption of the unsaturated aldehyde via its C=O bond, most notably by electronic modification of the surface and formation of the electrophilic sites. Furthermore, challenges, gaps, and opportunities are identified to advance the rational design of efficient catalysts for this class of reactions, including the need for systematic studies of catalytic processes, theoretical modeling of complex materials, and model studies under ambient pressure and temperature.

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Section: Ru As the Lewis Acid Sitementioning

confidence: 99%

Guidelines to Achieving High Selectivity for the Hydrogenation of α,β-Unsaturated Aldehydes with Bimetallic and Dilute Alloy Catalysts: A Review

et al. 2020

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“…Bimetallic catalysts have aroused the researchers’ attention − because they often have excellent reactivity and enhanced selectivity. For example, the reactivity of the Au/Pt(100) surface was much higher than the clean Pt(100) as an accelerating cyclohexene dehydrogenated to benzene. , In addition, the Au–Pd and Pt–Sn bimetallic catalysts showed distinguished selectivity in the hydrogenation of butadiene into butene. − Likewise, the Pt–Co, Pt–Fe, and Ni–Fe catalysts exhibited large 2-methylfuran yield in the hydrodeoxygenation of furfural. , Thus, the Pt-based bimetallic alloys are widely used.…”

Section: Introductionmentioning

confidence: 99%

Hydrogenation of Cyclohexene on the M/Pt(111) and Pt/M/Pt(111) (M = Fe, Co, Ni, and Cu) Surfaces from a Systematic DFT Study

Wang

2018

J. Phys. Chem. C

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The hydrogenation of cyclohexene on the M/Pt(111), Pt/M/Pt(111) (M = Fe, Co, Ni, and Cu), Pt(111), and Ni(111) surfaces has been studied using density functional theory calculation. The low hydrogenation barriers could explain high hydrogenation reactivity of the Pt/M/Pt(111) sandwich structure. The Pt/Cu/ Pt(111) surface may be an efficient catalyst for speeding up cyclohexene hydrogenation because of its high standard turnover frequency (TOF°). However, the experimental results showed the opposite: almost no cyclohexane was detected on the Pt/Cu/ Pt(111). The possible reason is the Pt−Cu alloy formed on the topmost layer of the Pt/Cu/Pt(111) actually influencing the hydrogenation process, meaning that the chemical property of the so-called Pt/Cu/Pt(111) might be sensitive to the surface Pt coverage. Besides, on the basis of a volcano-type relationship between the TOF°and the coadsorption energy of the cyclohexene and the hydrogen atoms, similar sandwich structures on which the corresponding adsorption energy is in the range of −0.4 to −1.6 eV may possess excellent hydrogenation reactivity.

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“…Now we perform DFT calculations to investigate the mechanism of reaction between methyl aniline and H 2 or H 2 O for rationalizing the experimental results. Since previous researches had already provided the high catalytic activity of Ru (001) for hydrogenation, 35 in this section, the Ru (001) surface is selected as the computational model for methyl aniline's reaction. First of all, methyl aniline interacts with several surface atoms upon adsorption, and we considered methyl aniline adsorption with the ring centered over a top, bridge, hollow hcp, and hollow fcc sites.…”

Section: Resultsmentioning

confidence: 99%

A comprehensive study of indole catalytic hydrodenitrogenation under hydrothermal conditions

Liu

Zheng

et al. 2021

AIChE Journal

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This article focuses on the catalytic hydrodenitrogenation (HDN) mechanism of indole under hydrothermal conditions. Formic acid (FA), which is a donor of both gaseous hydrogen and liquid hydrogen, can improve indole conversion and total yield of denitrogenated products. Ru/C showed the highest activity among the catalysts in this study for indole conversion at all temperature conditions with the existence of H 2 , and 91.17% indole was converted at 400 C and 60 min. Based on reaction kinetic experiments, a kinetic model was developed mathematically to describe the hydrothermal HDN reaction of indole over the home-made Ni 80 Ru 20 /γ-Al 2 O 3 catalyst, which clearly captured all data trends and fitted the temporal variation of all major liquid products. High activation energy for the formation of the O-containing substance o-cresol from both mathematical fitting and density functional theory (DFT) calculation indicated the rare occurrence of a reaction between the pyrrole ringopening product methyl aniline and H 2 O, consistent with the experimental observation that only a trace of o-cresol was detected.

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Selective Hydrogenation of Acrolein to Propanal on a Pseudomorphic Pt/Ru(001) Bimetallic Surface

Cited by 7 publications

References 39 publications

Guidelines to Achieving High Selectivity for the Hydrogenation of α,β-Unsaturated Aldehydes with Bimetallic and Dilute Alloy Catalysts: A Review

Guidelines to Achieving High Selectivity for the Hydrogenation of α,β-Unsaturated Aldehydes with Bimetallic and Dilute Alloy Catalysts: A Review

Hydrogenation of Cyclohexene on the M/Pt(111) and Pt/M/Pt(111) (M = Fe, Co, Ni, and Cu) Surfaces from a Systematic DFT Study

A comprehensive study of indole catalytic hydrodenitrogenation under hydrothermal conditions

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