Abstract:
The hydrogenation of diphenylacetylene (DPA) on palladium–silver catalysts with a single-atom structure was investigated. It has been shown experimentally that the reaction rate of alkene to alkane hydrogenation is substantially lower than the rate of DPA semi-hydrogenation. The kinetic barriers of all stages of hydrogenation were calculated by the DFT method.
Citation:
A. V. Rassolov, D. S. Krivoruchenko, M. G. Medvedev, I. S. Mashkovsky, A. Yu. Stakheev, I. Svitanko, “Diphenylacetylene hydrogenation on a PdAg /Al2O3 single-atom catalyst: an experimental and DFT study”, Mendeleev Commun., 27:6 (2017), 615–617
Linking options:
https://www.mathnet.ru/eng/mendc2078
https://www.mathnet.ru/eng/mendc/v27/i6/p615
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Lyudmila Okhlopkova, Igor Prosvirin, Sergey Khairulin, “Semihydrogenation of 2-methyl-3-butyn-2-ol over PdxAg1-x/TiO2 films in microcapillary reactor: Effect of active component composition”, Inorganic Chemistry Communications, 2024, 113781
D. A. Shlyapin, D. V. Yurpalova, T. N. Afonasenko, V. L. Temerev, A. V. Lavrenov, “Efficient catalysts based on substitutional solid solutions and intermetallic compounds of palladium for acetylene selective hydrogenation to ethylene”, Kat.v.prom., 23:6 (2023), 17
P. V. Markov, I. S. Mashkovsky, G. N. Baeva, D. P. Melnikov, A. Yu. Stakheev, “An egg-shell PdAg/α-Al2O3 single-atom alloy catalyst for selective acetylene hydrogenation”, Mendeleev Commun., 33:6 (2023), 836–838
I. S. Mashkovsky, P. V. Markov, A. V. Rassolov, E. D. Patil, A. Yu. Stakheev, “Progress in single-atom methodology in modern catalysis”, Russian Chem. Reviews, 92:8 (2023), RCR5087
Georgios Uzunidis, Silke Behrens, “Pd/Ag Nanoparticles Prepared in Ionic Liquids as Model Catalysts for the Hydrogenation of Diphenylacetylene ”, Chemie Ingenieur Technik, 94:3 (2022), 328
Zhiyi Sun, Shuo Wang, Wenxing Chen, “Metal single-atom catalysts for selective hydrogenation of unsaturated bonds”, J. Mater. Chem. A, 9:9 (2021), 5296
I. S. Gerasimov, F. Zahariev, S. S. Leang, A. Tesliuk, M. S. Gordon, M. G. Medvedev, “Introducing LibXC into GAMESS (US)”, Mendeleev Commun., 31:3 (2021), 302–305
I. Yu. Titov, V. S. Stroylov, P. V. Rusina, I. Svitanko, “Preliminary modelling as the first stage of targeted organic synthesis”, Russian Chem. Reviews, 90:7 (2021), 831–867
Jiaxuan Fan, Haoxuan Du, Yin Zhao, Qian Wang, Yanan Liu, Dianqing Li, Junting Feng, “Recent Progress on Rational Design of Bimetallic Pd Based Catalysts and Their Advanced Catalysis”, ACS Catal., 10:22 (2020), 13560
Xin Jin, Mengyuan Liu, Guangyu Zhang, Jinyao Wang, Qi Xia, Yu Sun, Ziqi Zhou, Wenxiang Zhang, Shu Wang, Chun Ho Lam, Jian Shen, Chaohe Yang, Raghunath Vitthal Chaudhari, “Chemical Synthesis of Adipic Acid from Glucose and Derivatives: Challenges for Nanocatalyst Design”, ACS Sustainable Chem. Eng., 8:51 (2020), 18732
R. S. Shamsiev, F. O. Danilov, “Theoretical modeling of mechanisms of phenylacetylene and styrene hydrogenation on the Pd(100) surface”, Russ Chem Bull, 68:9 (2019), 1656
A. V. Rassolov, G. O. Bragina, G. N. Baeva, N. S. Smirnova, A. V. Kazakov, I. S. Mashkovsky, A. Yu. Stakheev, “Liquid-Phase Hydrogenation of Internal and Terminal Alkynes on Pd–Ag/Al2O3 Catalyst”, Kinet Catal, 60:5 (2019), 642
N. S. Smirnova, P. V. Markov, G. N. Baeva, A. V. Rassolov, I. S. Mashkovsky, A. V. Bukhtiyarov, I. P. Prosvirin, M. A. Panafidin, Ya. V. Zubavichus, V. I. Bukhtiyarov, A. Yu. Stakheev, “CO-induced segregation as an efficient tool to control the surface composition and catalytic performance of PdAg3/Al2O3 catalyst”, Mendeleev Commun., 29:5 (2019), 547–549
Igor S. Mashkovsky, Pavel V. Markov, Galina O. Bragina, Galina N. Baeva, Alexander V. Rassolov, Ilya A. Yakushev, Michael N. Vargaftik, Alexander Yu. Stakheev, “Highly-Ordered PdIn Intermetallic Nanostructures Obtained from Heterobimetallic Acetate Complex: Formation and Catalytic Properties in Diphenylacetylene Hydrogenation”, Nanomaterials, 8:10 (2018), 769
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