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Related Concept Videos

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...
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 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...
[4+2] Cycloaddition of Conjugated Dienes: Diels–Alder Reaction01:16

[4+2] Cycloaddition of Conjugated Dienes: Diels–Alder Reaction

The Diels–Alder reaction is an example of a thermal pericyclic reaction between a conjugated diene and an alkene or alkyne, commonly referred to as a dienophile. The reaction involves a concerted movement of six π electrons, four from the diene and two from the dienophile, forming an unsaturated six-membered ring. As a result, these reactions are classified as [4+2] cycloadditions.
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...
Electrophilic 1,2- and 1,4-Addition of HX to 1,3-Butadiene01:17

Electrophilic 1,2- and 1,4-Addition of HX to 1,3-Butadiene

The electrophilic addition of hydrogen halides such as HBr to alkenes and nonconjugated dienes gives a single product as per Markovnikov’s rule.

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Updated: May 8, 2026

Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
19:58

Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions

Published on: July 30, 2017

H2 reactions on palladium clusters.

Adam W Pelzer1, Julius Jellinek, Koblar A Jackson

  • 1Chemical Sciences and Engineering Division, Argonne National Laboratory , Argonne, Illinois 60439, United States.

The Journal of Physical Chemistry. A
|August 29, 2013
PubMed
Summary
This summary is machine-generated.

Dissociative adsorption of hydrogen on palladium clusters is energetically favored over molecular adsorption. Hydrogen atoms bind preferentially to specific sites, with adsorption energy decreasing as cluster size increases.

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Mizoroki-Heck Cross-coupling Reactions Catalyzed by Dichloro{bis[1,1',1''-(phosphinetriyl)tripiperidine]}palladium Under Mild Reaction Conditions
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Mizoroki-Heck Cross-coupling Reactions Catalyzed by Dichloro{bis[1,1',1''-(phosphinetriyl)tripiperidine]}palladium Under Mild Reaction Conditions

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Hydrogen Production and Utilization in a Membrane Reactor
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Hydrogen Production and Utilization in a Membrane Reactor

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Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
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Mizoroki-Heck Cross-coupling Reactions Catalyzed by Dichloro{bis[1,1',1''-(phosphinetriyl)tripiperidine]}palladium Under Mild Reaction Conditions
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Hydrogen Production and Utilization in a Membrane Reactor
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Hydrogen Production and Utilization in a Membrane Reactor

Published on: March 10, 2023

Area of Science:

  • Physical Chemistry
  • Materials Science
  • Computational Chemistry

Background:

  • Understanding hydrogen adsorption on metal clusters is crucial for catalysis.
  • Palladium (Pd) clusters are widely studied for their catalytic properties.
  • Investigating hydrogen molecule (H2) adsorption on Pd(N) clusters provides insights into surface interactions.

Purpose of the Study:

  • To investigate the adsorption of H2 molecules and dissociated hydrogen atoms on Pd(N) clusters (N = 2-4, 7, 13, 19, 55).
  • To determine the preferred adsorption sites and mechanisms (molecular vs. dissociative).
  • To explore the influence of cluster size and structure on adsorption energies and reaction pathways.

Main Methods:

  • Density Functional Theory (DFT) calculations using the hybrid PBE0 functional.
  • Systematic search for low-energy Pd(N) isomers.
  • Computation of adsorption complexes, reaction pathways, and hydrogen atom migration barriers.

Main Results:

  • Dissociative adsorption of H2 is energetically preferred over molecular adsorption for all investigated cluster sizes.
  • Molecular H2 adsorbs at atop sites, while dissociated H atoms favor 3-fold faces and edge sites.
  • Adsorption energy decreases with increasing cluster size, with significant size effects for small clusters.
  • Molecular adsorption is barrierless; dissociative adsorption is barrierless for larger clusters (N=7, 13) and has small barriers for smaller clusters.
  • Hydrogen atom migration barriers on Pd clusters range from 0.05 to 0.25 eV.

Conclusions:

  • Dissociative adsorption is the dominant pathway for hydrogen on Pd(N) clusters.
  • The binding sites and stability of adsorbed hydrogen are strongly dependent on cluster size and structure.
  • The findings provide fundamental insights into hydrogen-metal cluster interactions relevant to catalysis and hydrogen storage.