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Chemical Bonds

Chemical Bonds

Atoms participate in a chemical bond formation to acquire a completed valence-shell electron configuration similar to that of the noble gas nearest to it in atomic number. Ionic, covalent, and metallic bonds are some of the important types of chemical bonds. Bond energy and bond length determine the strength of a chemical bond.
Types of Chemical Bonds
An ionic bond is formed due to electrostatic attraction between cations and anions. Often, the ions are formed by the transfer of electrons...

Molecular Orbital Theory II

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Valence Bond Theory

Valence Bond Theory

Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...

Covalent Bonding and Lewis Structures

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Compared to ionic bonds, which results from the transfer of electrons between metallic and nonmetallic atoms, covalent bonds result from the mutual attraction of atoms for a “shared” pair of electrons.

Molecular Shapes

Molecular Shapes

Molecules have characteristic shapes that are crucial for their function. The arrangement of various electron groups around the central atom dictates their molecular geometry. Electron pairs in the valence shell of a central atom will adopt an arrangement that minimizes repulsions between the electron pairs by maximizing the distance between them. The valence electrons form either bonding pairs, located primarily between bonded atoms, or lone pairs.
Two regions of electron density in a diatomic...

MO Theory and Covalent Bonding

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The molecular orbital theory describes the distribution of electrons in molecules in a manner similar to the distribution of electrons in atomic orbitals. The region of space in which a valence electron in a molecule is likely to be found is called a molecular orbital. Mathematically, the linear combination of atomic orbitals (LCAO) generates molecular orbitals. Combinations of in-phase atomic orbital wave functions result in regions with a high probability of electron density, while...

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Updated: Oct 21, 2025

Spatial Separation of Molecular Conformers and Clusters

Spatial Separation of Molecular Conformers and Clusters

Published on: January 9, 2014

Atomic Clusters: Structure, Reactivity, Bonding, and Dynamics.

Ranita Pal¹, Arpita Poddar², Pratim Kumar Chattaraj^2,3

¹Advanced Technology Development Centre, Indian Institute of Technology Kharagpur, Kharagpur, India.

Frontiers in Chemistry

|September 6, 2021

Summary

This summary is machine-generated.

Atomic clusters bridge atoms and solids, offering unique reactivity for catalysis. Machine learning aids in discovering their structures and properties, revealing potential in hydrogen storage and advanced materials.

Keywords:

Confinement Electrides Firefly algorithm Fluxionality Hydrogen storage Particle swarm optimization aromaticity

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Last Updated: Oct 21, 2025

Spatial Separation of Molecular Conformers and Clusters

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Published on: January 9, 2014

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

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Published on: February 15, 2016

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

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Published on: April 8, 2020

Area of Science:

Physical Chemistry
Materials Science
Computational Chemistry

Background:

Atomic clusters represent a unique intermediate state between isolated atoms and bulk solids.
They exhibit distinct reactivity patterns and possess unique properties not found in atomic or bulk forms.
These properties make them promising candidates for various applications, including catalysis and materials science.

Purpose of the Study:

To review the diverse properties and applications of atomic clusters.
To highlight the role of machine learning in predicting cluster structures.
To discuss the unique phenomena observed in atomic clusters, such as isomerism, aromaticity, and confinement effects.

Main Methods:

Literature review of theoretical and computational studies on atomic clusters.
Analysis of machine learning techniques for global minimum energy structure prediction.
Examination of experimental and theoretical findings on cluster properties and reactivity.

Main Results:

Atomic clusters exhibit unique characteristics like bond-stretch isomerism, aromatic stabilization, and superhalogen/superalkali properties.
All-metal and nonmetal clusters display varied aromaticity and dynamic stability.
Confinement within cluster cavitands significantly alters bonding, reactivity, and reaction rates.

Conclusions:

Atomic clusters possess remarkable optoelectronic, magnetic, and nonlinear optical properties.
They show potential as catalysts, hydrogen storage materials, and agents for small molecule activation.
Further research into atomic clusters promises advancements in catalysis, materials science, and chemical processes.