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Valence Bond Theory

Valence Bond Theory

Overview of Valence Bond Theory

Covalent Bonds

Covalent Bonds

Lewis Symbols and the Octet Rule

Lewis Symbols and the Octet Rule

Chemical bonds are complex interactions between two or more atoms or ions, which reduce the potential energy of the molecule. Gilbert N. Lewis developed a model called the Lewis model that simplified the depiction of chemical bond formation and provided straightforward explanations for the chemical bonds seen in most common compounds.

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...

Polar Covalent Bonds

Polar Covalent Bonds

Covalent bonds are formed between two atoms when both have similar tendencies to attract electrons to themselves (i.e., when both atoms have identical or fairly similar ionization energies and electron affinities). Nonmetal atoms frequently form covalent bonds with other nonmetal atoms. For example, the hydrogen molecule, H2, contains a covalent bond between its two hydrogen atoms. When two separate hydrogen atoms with a particular potential energy approach each other, their valence orbitals...

Bond Polarity, Dipole Moment, and Percent Ionic Character

Bond Polarity, Dipole Moment, and Percent Ionic Character

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Covalent Fragment Screening Using the Quantitative Irreversible Tethering Assay

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Published on: February 28, 2025

Two-Factor Rule for Distinguishing the Covalent and Tetrel Bonds.

Ekaterina Bartashevich¹, Vladimir Tsirelson^1,2

¹Research Laboratory of Multiscale modelling of multicomponent materials, South Ural State University, 76, Lenin ave, Chelyabinsk, Russia, 454080.

|November 2, 2024

Summary

Researchers developed a method to distinguish tetrel bonds (TtB) from covalent bonds by analyzing electrostatic and static potentials. A wider potential gap indicates a noncovalent tetrel bond, aiding chemical bond characterization.

Keywords:

Covalent bond Electron density Electrostatic potential Tetrel bond Total static potential

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Area of Science:

Computational Chemistry
Chemical Bonding Theory
Materials Science

Background:

Distinguishing noncovalent tetrel bonds (TtB) from covalent or coordination bonds is crucial for understanding molecular interactions.
Existing methods may not provide clear differentiation between these bond types.

Purpose of the Study:

To develop a simple methodology for differentiating tetrel bonds from coordination or weakened covalent bonds.
To establish criteria for characterizing bond types based on potential analysis.

Main Methods:

Analysis of electrostatic and total static potentials along the bond line.
Comparison of potential characteristics for tetrel bonds (TtB) versus coordination bonds.
Examination of Fermi hole behavior along the bond line.

Main Results:

A wider spatial gap between the maxima of total static potential and negative electrostatic potential characterizes noncovalent tetrel bonds.
This potential gap is significantly larger in tetrel bonds compared to coordination bonds in trigonal bipyramid systems.
The behavior of the Fermi hole effectively distinguishes between weakened covalent and strengthened noncovalent bonds.

Conclusions:

A straightforward potential-based method successfully differentiates tetrel bonds from other bond types.
The proposed two-factor empirical rule, based on potential superposition, offers a reliable approach for bond characterization.