Geometric and electronic effects on the performance of a bifunctional Ru2P catalyst in the hydrogenation and acceptorless dehydrogenation of N-heteroarenes

Shao, Fangjun; Yao, Zihao; Gao, Yijing; Zhou, Qiang; Bao, Zhikang; Zhuang, Guilin; Zhong, Xing; Wu, Chuan; Wang, Jianguo

doi:10.1016/s1872-2067(20)63747-0

Cited by 15 publications

(15 citation statements)

References 51 publications

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“…Recently, Shao et al. [ 332 ] used Ru 2 P/AC as a bifunctional catalyst for the hydrogenation and dehydrogenation reaction of N‐heteroarenes. For the hydrogenation of N‐heteroarenes the conversion was >98% with a selectivity of >99.9% was achieved at 5 bar H 2 and 60 °C in 5 h. For the dehydrogenation of 1,2,3,4‐tetrahydroquinoline the conversion was >98% with higher selectivity of >99% was achieved at 10 bar of H 2 and 80 °C in 40 h. Various tetrahydroquinoline derivatives were transformed to the corresponding quinolines to explore the generality of the developed catalyst as depicted in Figure .…”

Section: Catalytic Potential Of Tmp Toward Versatile Organic Transfor...mentioning

confidence: 99%

Transition Metal Phosphide Nanoarchitectonics for Versatile Organic Catalysis

Sharma

Choudhary

Kumar

et al. 2023

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Transition metal phosphides (TMP) posses unique physiochemical, geometrical, and electronic properties, which can be exploited for different catalytic applications, such as photocatalysis, electrocatalysis, organic catalysis, etc. Among others, the use of TMP for organic catalysis is less explored and still facing many complex challenges, which necessitate the development of sustainable catalytic reaction protocols demonstrating high selectivity and yield of the desired molecules of high significance. In this regard, the controlled synthesis of TMP‐based catalysts and thorough investigations of underlying reaction mechanisms can provide deeper insights toward practical achievement of desired applications. This review aims at providing a comprehensive analysis on the recent advancements in the synthetic strategies for the tailored and tunable engineering of structural, geometrical, and electronic properties of TMP. In addition, their unprecedented catalytic potential toward different organic transformation reactions is succinctly summarized and critically analyzed. Finally, a rational perspective on future opportunities and challenges in the emerging field of organic catalysis is provided. On the account of the recent achievements accomplished in organic synthesis using TMP, it is highly anticipated that the use of TMP combined with advanced innovative technologies and methodologies can pave the way toward large scale realization of organic catalysis.

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Section: Catalytic Potential Of Tmp Toward Versatile Organic Transfor...mentioning

confidence: 99%

Transition Metal Phosphide Nanoarchitectonics for Versatile Organic Catalysis

Sharma

Choudhary

Kumar

et al. 2023

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“…39,40 The inclusion of van der Waals interactions is vital for larger intermediates in our previous studies. [41][42][43][44][45][46] Therefore, the DFT-D3 method was utilized. [47][48][49] The projector-augmented-wave (PAW) 50,51 method was used to represent the core-valence electron interaction, and the cutoff energy of plane-wave basis expansion was set to 400 eV.…”

Section: Dft Calculationsmentioning

confidence: 99%

Engineering the geometric and electronic structure of Ru via Ru–TiO₂ interaction for enhanced selective hydrogenation

Wang

Zhou

Zhao

et al. 2022

Catal. Sci. Technol.

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“…The peaks centered at 463.4 and 487.8 eV are assigned to the 3p 1/2 and 3p 3/2 signals of Ru δ+ , respectively. 33,51 No obvious variation in binding energies of Ru 0 and Ru δ+ for the RuP structure was observed compared with Ru 2 P. However, the peak center of Ru 0 in the RuP 2 catalyst moves 0.4 eV toward the high binding energy, indicating that the electrons transfer from Ru to P. The relatively larger shift of RuP 2 compared with RuP should have been induced by the rich P, agreeing with the XPS results of P. In addition, the shift of the d-band center achieved by the surface valence band photoemission spectra (Figure 10C) shows a similar tendency with the DFT result: moving toward the Fermi level from Ru 2 P to RuP 2 .…”

Section: Computational and Experimental Detailsmentioning

confidence: 99%

Construction of a Unique Structure of Ru Sites in the RuP Structure for Propane Dehydrogenation

Yang

et al. 2021

ACS Appl. Mater. Interfaces

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It is an important task to develop low-cost and anticoking catalysts for the propane dehydrogenation (PDH) reaction. In this work, the P element is introduced to the Ru-based catalyst to obtain Ru sites with a unique structure and the obtained Ru x P y (x/y = 2:1, 1:1, 1:2) catalysts are then employed in PDH. Density functional theory (DFT) results show that the addition of P leads to the formation of separated Ru sites and the adjustment of the valance band state of Ru. The upward shift of the d-band center leads to a reduction of the reaction energy barrier for dehydrogenation of propane and an enhancement of catalytic activity. The analysis of the competition between propylene deep dehydrogenation and propylene desorption for each catalyst shows that desorption of propylene is preferred on the RuP(112) surface. Considering both catalytic activity and propylene selectivity, the RuP catalyst is potential for the propane dehydrogenation reaction. On the RuP surface, the PDH reaction proceeds by the dehydrogenation of the H atom on the methylene group (isopropyl pathway), thus restraining the deep dehydrogenation of propylene. The Ru x P y catalysts are also synthesized in experiments, and PDH evaluation shows that the RuP structure is a remarkable PDH catalyst with a stable structure, anticoking ability, and low cost.

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Geometric and electronic effects on the performance of a bifunctional Ru2P catalyst in the hydrogenation and acceptorless dehydrogenation of N-heteroarenes

Cited by 15 publications

References 51 publications

Transition Metal Phosphide Nanoarchitectonics for Versatile Organic Catalysis

Transition Metal Phosphide Nanoarchitectonics for Versatile Organic Catalysis

Engineering the geometric and electronic structure of Ru via Ru–TiO₂ interaction for enhanced selective hydrogenation

Construction of a Unique Structure of Ru Sites in the RuP Structure for Propane Dehydrogenation

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Geometric and electronic effects on the performance of a bifunctional Ru2P catalyst in the hydrogenation and acceptorless dehydrogenation of N-heteroarenes

Cited by 15 publications

References 51 publications

Transition Metal Phosphide Nanoarchitectonics for Versatile Organic Catalysis

Transition Metal Phosphide Nanoarchitectonics for Versatile Organic Catalysis

Engineering the geometric and electronic structure of Ru via Ru–TiO2 interaction for enhanced selective hydrogenation

Construction of a Unique Structure of Ru Sites in the RuP Structure for Propane Dehydrogenation

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Engineering the geometric and electronic structure of Ru via Ru–TiO₂ interaction for enhanced selective hydrogenation