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Related Concept Videos

Reduction of Alkenes: Catalytic Hydrogenation02:13

Reduction of Alkenes: Catalytic Hydrogenation

11.8K
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...
11.8K
Stability of Conjugated Dienes01:28

Stability of Conjugated Dienes

3.2K
Introduction
A comparison of the enthalpies of hydrogenation of dienes reveals that conjugated dienes release less heat on hydrogenation, rendering them more stable than their nonconjugated analogs.
3.2K
Hydrogen Bonds01:04

Hydrogen Bonds

7.8K
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...
7.8K
Reduction of Alkenes: Asymmetric Catalytic Hydrogenation02:17

Reduction of Alkenes: Asymmetric Catalytic Hydrogenation

3.2K
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...
3.2K
Hybridization of Atomic Orbitals II03:35

Hybridization of Atomic Orbitals II

31.6K
sp3d and sp3d 2 Hybridization
31.6K
Chair Conformation of Cyclohexane02:02

Chair Conformation of Cyclohexane

14.2K
The chair conformation is the most stable form of cyclohexane due to the absence of angle and torsional strain. The absence of angle strain is a result of cyclohexane’s bond angle being very close to the ideal tetrahedral bond angle of 109.5° in its chair conformer. Similarly, the torsional strain is also absent owing to the perfectly staggered arrangement of bonds.
The hydrogen atoms linked to carbons are arranged in two different axial and equatorial orientations to achieve this...
14.2K

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Updated: May 23, 2025

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
06:35

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates

Published on: February 15, 2016

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Reversible Hydrogen Storage by Planar Hypercoordinate Hydrogen Clusters.

Kangkan Sarmah1, Ankur K Guha1

  • 1Advanced Computational Chemistry Center, Cotton University, Guwahati, India.

Journal of Computational Chemistry
|March 10, 2025
PubMed
Summary
This summary is machine-generated.

Lithium-decorated hypercoordinate hydrogen clusters show potential for reversible hydrogen storage. These materials offer high gravimetric densities, making them promising for future energy applications.

Keywords:
hydrogen storagehypercoordinate hydrogenlithium decorated clustertheoretical

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Area of Science:

  • Materials Science
  • Computational Chemistry
  • Energy Storage

Background:

  • Hydrogen storage is crucial for clean energy technologies.
  • Developing materials with high capacity and reversibility is a key challenge.
  • Planar hypercoordinate structures offer unique electronic properties.

Purpose of the Study:

  • Investigate lithium-decorated planar hypercoordinate hydrogen clusters as hydrogen storage materials.
  • Evaluate their storage capacity and reversibility using computational methods.

Main Methods:

  • Density Functional Theory (DFT) calculations were employed.
  • Topological analysis was used to understand hydrogen-cluster interactions.
  • Born-Oppenheimer Molecular Dynamics (BOMD) simulations assessed reversibility.

Main Results:

  • High gravimetric densities of 50.3% and 46.4% were achieved for tetra- and pentacoordinate clusters, respectively.
  • DFT and topological studies confirmed molecular interactions.
  • BOMD simulations demonstrated reversible hydrogen adsorption at various temperatures.

Conclusions:

  • Lithium-decorated planar hypercoordinate clusters are promising candidates for reversible hydrogen storage.
  • The studied materials exhibit favorable properties for practical hydrogen storage applications.