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Related Concept Videos

Reduction of Alkenes: Asymmetric Catalytic Hydrogenation02:17

Reduction of Alkenes: Asymmetric Catalytic Hydrogenation

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...
Reduction of Alkenes: Catalytic Hydrogenation02:13

Reduction of Alkenes: Catalytic Hydrogenation

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 surface of...
Heterogeneous Catalysis01:22

Heterogeneous Catalysis

Heterogeneous catalysis involves a catalyst in a different phase from the reactants. It is a process where the catalyst and the reactants are in distinct phases, typically solid and gas or liquid.Most heterogeneous catalysts are metals, metal oxides, or acids. The list includes transition metals like iron (Fe), cobalt (Co), nickel (Ni), palladium (Pd), platinum (Pt), chromium (Cr), manganese (Mn), tungsten (W), silver (Ag), and copper (Cu). These metals possess partially vacant d orbitals that...
Reduction of Alkynes to cis-Alkenes: Catalytic Hydrogenation02:24

Reduction of Alkynes to cis-Alkenes: Catalytic Hydrogenation

Introduction
Like alkenes, alkynes can be reduced to alkanes in the presence of transition metal catalysts such as Pt, Pd, or Ni. The reaction involves two sequential syn additions of hydrogen via a cis-alkene intermediate.
Reduction of Benzene to Cyclohexane: Catalytic Hydrogenation01:28

Reduction of Benzene to Cyclohexane: Catalytic Hydrogenation

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...
Catalysis02:50

Catalysis

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.

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Efficient hydrogenation over single-site bimetallic RuSn clusters.

Lauro Oliver Paz-Borbón1, Anders Hellman, John Meurig Thomas

  • 1Department of Applied Physics and Competence Centre for Catalysis, Chalmers University of Technology, Göteborg, Sweden. lauroo@chalmers.se

Physical Chemistry Chemical Physics : PCCP
|May 15, 2013
PubMed
Summary

Adding tin (Sn) to ruthenium-nitrogen (RuN) clusters lowers hydrogenation barriers for ethene to ethane conversion. This study reveals how tin modifies ruthenium cluster properties, enabling more efficient catalysis.

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Published on: December 6, 2021

Area of Science:

  • Computational Chemistry
  • Materials Science
  • Catalysis

Background:

  • Single-site ruthenium-nitrogen (RuN) clusters are explored for catalytic applications.
  • Understanding the influence of dopants on cluster properties is crucial for catalyst design.
  • Ethene hydrogenation to ethane is a fundamental chemical transformation.

Purpose of the Study:

  • To investigate the effect of tin (Sn) addition on RuN clusters for ethene hydrogenation.
  • To elucidate the relationship between cluster properties and catalytic activity.
  • To determine the structural and electronic modifications induced by Sn doping.

Main Methods:

  • Density Functional Theory (DFT) calculations were employed.
  • Analysis of transition state barriers and adsorption energies.
  • Investigation of geometrical and electronic properties of RuN and (RuSn)N clusters.

Main Results:

  • A linear correlation between transition state barriers and reactant adsorption energies was observed for RuN clusters.
  • Tin addition to RuN clusters disrupted this correlation, leading to reduced reaction barriers.
  • Tin significantly altered the geometrical and electronic structures of RuN clusters (N≤12), favoring low spin states and Sn-capped Ru cores.

Conclusions:

  • Tin doping is an effective strategy to enhance the catalytic performance of RuN clusters for ethene hydrogenation.
  • The electronic and geometric modifications induced by tin are key to lowering activation barriers.
  • This work provides insights into the rational design of single-site cluster catalysts.