Related Experiment Video
Updated: Jul 29, 2025
10:52
Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
12.9K
Sabatier Phenomenon in Hydrogenation Reactions Induced by Single-Atom Density
Hongqiang Jin1,2, Runqing Zhao1,2, Peixin Cui3
1Beijing National Laboratory for Molecular Sciences, CAS Key Laboratory of Molecular Nanostructure and Nanotechnology, CAS Research/Education Center for Excellence in Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China.
Journal of the American Chemical Society
|May 26, 2023
Summary
Researchers discovered a new Sabatier phenomenon in hydrogenation using iridium single-atom catalysts (SACs). Optimal activity was achieved at a specific single-atom density, guided by catalyst design principles.
Area of Science:
- Heterogeneous catalysis
- Surface science
- Materials chemistry
Background:
- The Sabatier principle guides catalyst design for maximum activity.
- Single-atom catalysts (SACs) offer high efficiency and selectivity.
- Understanding structure-activity relationships in SACs is crucial for optimization.
Purpose of the Study:
- To report a novel Sabatier phenomenon in hydrogenation reactions driven by single-atom density.
- To investigate the effect of iridium single-atom density on catalytic activity.
- To establish a descriptor for optimizing SACs in hydrogenation.
Main Methods:
- Synthesis of iridium single-atom catalysts (Ir SACs) with controlled densities (0.1–1.7 atoms/nm²).
- Utilizing a phosphorus-coordination strategy for Ir SACs with Ir1-P4 structure.
- Conducting mechanistic studies to elucidate the Sabatier phenomenon and structure-activity relationships.
Main Results:
- A volcano-type relationship between Ir SAC density and hydrogenation activity was observed, peaking at 0.7 atoms/nm².
- The balance of adsorption/desorption strength of activated hydrogen on Ir sites governs the phenomenon.
- Transferred Bader charge on Ir SACs serves as a descriptor for structure-activity correlation.
- Optimized Ir SACs achieved simultaneous maximum activity and selectivity in chemoselective hydrogenation.
Conclusions:
- The study reveals a new Sabatier phenomenon linked to single-atom density in hydrogenation.
- Catalyst design guided by the Sabatier principle and single-atom density is effective for optimizing SACs.
- The findings provide insights for developing highly efficient and practical SACs for hydrogenation reactions.
Related Concept Videos
02:13Reduction of Alkenes: Catalytic Hydrogenation
12.2K
Alkenes undergo reduction by the addition of molecular hydrogen to give alkanes. Because the process generally occurs in the presence of a transition-metal catalyst, the reaction is called catalytic hydrogenation.
Metals like palladium, platinum, and nickel are commonly used in their solid forms — fine powder on an inert surface. As these catalysts remain insoluble in the reaction mixture, they are referred to as heterogeneous catalysts.
The hydrogenation process takes place on the...
Metals like palladium, platinum, and nickel are commonly used in their solid forms — fine powder on an inert surface. As these catalysts remain insoluble in the reaction mixture, they are referred to as heterogeneous catalysts.
The hydrogenation process takes place on the...
12.2K
02:17Reduction of Alkenes: Asymmetric Catalytic Hydrogenation
3.4K
Catalytic hydrogenation of alkenes is a transition-metal catalyzed reduction of the double bond using molecular hydrogen to give alkanes. The mode of hydrogen addition follows syn stereochemistry.
The metal catalyst used can be either heterogeneous or homogeneous. When hydrogenation of an alkene generates a chiral center, a pair of enantiomeric products is expected to form. However, an enantiomeric excess of one of the products can be facilitated using an enantioselective reaction or an...
The metal catalyst used can be either heterogeneous or homogeneous. When hydrogenation of an alkene generates a chiral center, a pair of enantiomeric products is expected to form. However, an enantiomeric excess of one of the products can be facilitated using an enantioselective reaction or an...
3.4K
01:28Reduction of Benzene to Cyclohexane: Catalytic Hydrogenation
4.7K
Unlike the easy catalytic hydrogenation of an alkene double bond, hydrogenation of a benzene double bond under similar reaction conditions does not take place easily. For example, in the reduction of stilbene, the benzene ring remains unaffected while the alkene bond gets reduced. Hydrogenation of an alkene double bond is exothermic and a favorable process. In contrast, to hydrogenate the first unsaturated bond of benzene, an energy input is needed; that is, the process is endothermic. This is...
4.7K
02:50Catalysis
27.1K
The presence of a catalyst affects the rate of a chemical reaction. A catalyst is a substance that can increase the reaction rate without being consumed during the process. A basic comprehension of a catalysts’ role during chemical reactions can be understood from the concept of reaction mechanisms and energy diagrams.
27.1K
02:36Regioselectivity and Stereochemistry of Hydroboration
8.2K
A significant aspect of hydroboration–oxidation is the regio- and stereochemical outcome of the reaction.
Hydroboration proceeds in a concerted fashion with the attack of borane on the π bond, giving a cyclic four-centered transition state. The –BH2 group is bonded to the less substituted carbon and –H to the more substituted carbon. The concerted nature requires the simultaneous addition of –H and –BH2 across the same face of the alkene giving syn...
Hydroboration proceeds in a concerted fashion with the attack of borane on the π bond, giving a cyclic four-centered transition state. The –BH2 group is bonded to the less substituted carbon and –H to the more substituted carbon. The concerted nature requires the simultaneous addition of –H and –BH2 across the same face of the alkene giving syn...
8.2K
01:26Radical Substitution: Hydrogenolysis of Alkyl Halides with Tributyltin Hydride
1.9K
Radical substitution reactions can be used to remove functional groups from molecules. The hydrogenolysis of alkyl halides is one such reaction, where the weak Sn–H bond in tributyltin hydride reacts with alkyl halides to form alkanes. Here, the reagent Bu3SnH yields tributyltin halide as a byproduct.
The bonds formed in this reaction are stronger than the bonds broken, making it energetically favorable. The reaction follows a radical chain mechanism similar to radical halogenation...
The bonds formed in this reaction are stronger than the bonds broken, making it energetically favorable. The reaction follows a radical chain mechanism similar to radical halogenation...
1.9K