Reversible Hydrogen Storage by Planar Hypercoordinate Hydrogen Clusters
Related Experiment Video
Updated: May 23, 2025

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
Kangkan Sarmah1, Ankur K Guha1
1Advanced Computational Chemistry Center, Cotton University, Guwahati, India.
Abstract:
Lithium-decorated planar hypercoordinate hydrogen clusters have been investigated as hydrogen storage materials by density functional theory. The topological study shows the molecular interaction of the hydrogen with each cluster. The gravimetric densities were found to be 50.3 and 46.4 for the planar tetra-and pentacoordinate hydrogen clusters. Born-Oppenheimer molecular dynamics (BOMD) simulation study reveals the reversibility of the adsorbed hydrogens at different temperatures. Our study revealed that the Lithium-decorated planar hypercoordinate clusters are promising candidates for reversible hydrogen storage.
Related Concept Videos
Reduction of Alkenes: 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...
Stability of Conjugated Dienes
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.
Hydrogen Bonds
Reduction of Alkenes: Asymmetric Catalytic Hydrogenation
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...
Hybridization of Atomic Orbitals II
Chair Conformation of Cyclohexane
The hydrogen atoms linked to carbons are arranged in two different axial and equatorial orientations to achieve this...

