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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...
Hydrogen Bonds01:04

Hydrogen Bonds

A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
Hydrogen Bonds00:26

Hydrogen Bonds

Hydrogen BondsHydrogen bonds are weak attractions between atoms that have formed other chemical bonds. One of these atoms is electronegative, like oxygen, and has a partial negative charge. The other is a hydrogen atom that has bonded with another electronegative atom and has a partial positive charge.Hydrogen Bonds Control the World!Because hydrogen has very weak electronegativity when it binds with a strongly electronegative atom, such as oxygen or nitrogen, electrons in the bond are...
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 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.
Hybridization of Atomic Orbitals II03:35

Hybridization of Atomic Orbitals II

sp3d and sp3d 2 Hybridization

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Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production
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Interaction between hydrogen molecules and metallofullerenes.

Mina Yoon1, Shenyuan Yang, Zhenyu Zhang

  • 1Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA. myoon@ornl.gov

The Journal of Chemical Physics
|August 21, 2009
PubMed
Summary

Metallofullerenes show promise for hydrogen storage. Their affinity for hydrogen molecules depends on local bonding, not overall charge, according to density functional theory calculations.

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Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis
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Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis
14:11

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis

Published on: March 29, 2016

Area of Science:

  • Physical Chemistry
  • Materials Science
  • Computational Chemistry

Background:

  • Hydrogen storage is crucial for clean energy technologies.
  • Metallofullerenes offer unique electronic properties for potential applications.
  • Understanding molecular interactions with these materials is key.

Purpose of the Study:

  • To investigate metallofullerenes as hydrogen storage media.
  • To explore the interaction between hydrogen molecules and lanthanum-encapsulated fullerenes (La@C(n)).
  • To determine the influence of charge transfer on hydrogen affinity.

Main Methods:

  • First-principles density functional theory (DFT) calculations.
  • Systematic investigation of La@C(n) (20 <= n <= 82) interactions with H2.
  • Analysis of charge transfer and its effect on molecular hydrogen affinity.

Main Results:

  • Lanthanum (La) atoms transfer approximately three electrons to fullerene cages.
  • Fullerene cages effectively screen the induced charges.
  • Hydrogen molecule affinity is locally enhanced and sensitive to specific bonding sites.

Conclusions:

  • Local bonding properties, not global charge, dictate hydrogen affinity in metallofullerenes.
  • Metallofullerenes exhibit tunable hydrogen storage capabilities based on structural and electronic characteristics.
  • These findings guide the design of advanced hydrogen storage materials.