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VSEPR Theory

VSEPR Theory

Valence shell electron-pair repulsion theory (VSEPR theory) enables us to predict the molecular structure around a central atom from an examination of the number of bonds and lone electron pairs in its Lewis structure. The VSEPR model assumes that electron pairs in the valence shell of a central atom will adopt an arrangement that minimizes repulsions between these electron pairs by maximizing the distance between them. The electrons in the valence shell of a central atom form either bonding...

VSEPR Theory and the Effect of Lone Pairs

VSEPR Theory and the Effect of Lone Pairs

Effect of Lone Pairs of Electrons on Molecule Geometry

VSEPR Theory and the Basic Shapes

VSEPR Theory and the Basic Shapes

Overview of VSEPR Theory

Predicting Molecular Geometry

Predicting Molecular Geometry

VSEPR Theory for Determination of Electron Pair Geometries

Exceptions to the Octet Rule

Exceptions to the Octet Rule

Many covalent molecules have central atoms that do not have eight electrons in their Lewis structures. These molecules fall into three categories:

Molecular Geometry and Dipole Moments

Molecular Geometry and Dipole Moments

The VSEPR theory can be used to determine the electron pair geometries and molecular structures as follows:

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Related Experiment Video

Updated: Jun 15, 2025

Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps

Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps

Published on: July 19, 2024

Refining the VSEPR Model: Limits on the Lone Pair Size as Described by the Electron Localization Function.

Christine M Morales¹, Annika L Medrano², Thomas M Gilbert³

¹Department of Biochemistry, Chemistry, and Physics, University of Mount Union, Alliance, Ohio 44601, United States.

Inorganic Chemistry

|June 13, 2025

Summary

This study explores exceptions to the VSEPR principle, finding that lone pairs occupy more space than bonds and influence molecular geometry. Factors like substituent size and electronegativity affect bond angles in molecules.

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Last Updated: Jun 15, 2025

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Published on: October 12, 2019

Area of Science:

Computational Chemistry
Quantum Chemistry
Molecular Modeling

Background:

The Valence Shell Electron Pair Repulsion (VSEPR) principle predicts molecular shapes based on electron pair repulsion.
Exceptions exist where asymmetric lone pairs lead to bond angles smaller than idealized shapes.

Purpose of the Study:

Investigate exceptions to the VSEPR principle concerning asymmetric lone pairs.
Clarify the spatial influence of lone pairs on molecular geometry and bond angles.

Main Methods:

Computational structure optimization of small molecules and polyatomic anions.
Topological analysis using the electron localization function (ELF).
Natural Bond Orbital (NBO) analysis.

Main Results:

Lone pairs occupy more volume around a central atom than single covalent bonds.
Lone pairs exert greater steric influence in lower oxidation states.
Larger, multiply bonded, or less electronegative substituents reduce lone pair steric demands and expand bond angles.

Conclusions:

Understanding lone pair volume is crucial for predicting molecular geometry.
Ligand close packing and Bent's rule are consistent with observed steric effects.
Molecular structure is a complex interplay between lone pair repulsion and substituent properties.