Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Valence Bond Theory and Hybridized Orbitals02:38

Valence Bond Theory and Hybridized Orbitals

22.4K
According to valence bond theory, a covalent bond results when: (1) an orbital on one atom overlaps an orbital on a second atom, and (2) the single electrons in each orbital combine to form an electron pair. The strength of a covalent bond depends on the extent of overlap of the orbitals involved. Maximum overlap is possible when the orbitals overlap on a direct line between the two nuclei.
A σ bond (single bond in a Lewis structure) is a covalent bond in which the electron density is...
22.4K
The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

48.2K
Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing hydrogen spectra.
48.2K
Electronic Structure of Atoms02:28

Electronic Structure of Atoms

24.6K

An atom comprises protons and neutrons, which are contained inside the dense, central core called the nucleus, with electrons present around the nucleus. Taking into account the wave–particle duality of electrons and the uncertainty in position around the nucleus, quantum mechanics provides a more accurate model for the atomic structure. It describes atomic orbitals as the regions around the nucleus where electrons of discrete energy exist, characterized by four quantum...
24.6K
Molecular Orbital Theory II03:51

Molecular Orbital Theory II

19.9K
Molecular Orbital Energy Diagrams
19.9K
Valence Bond Theory02:45

Valence Bond Theory

34.4K
Overview of Valence Bond Theory
34.4K
Electron Behavior01:09

Electron Behavior

10.3K
Electrons are negatively charged subatomic particles attracted to and orbit around the positively-charged nucleus of an atom. They reside in spaces associated with energy levels called shells and are further organized into subshells and orbitals within each shell.
Electrons Orbit the Nucleus
Electrons are found in specific locations outside of the nucleus. The shell in which an electron resides indicates the general energy level of the electron: those closer to the nucleus have less energy,...
10.3K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Kinetics of the Reactions CO<sub>2</sub> + O ⇆ CO + O<sub>2</sub>.

The journal of physical chemistry. A·2025
Same author

Singlet and Triplet Electronic States Involved in the Reactions CO<sub>2</sub> + O → CO<sub>3</sub> → CO + O<sub>2</sub>.

The journal of physical chemistry. A·2025
Same author

Competing pathways to aromaticity governed by amine dehydrogenation and metal-organic complexation in on-surface synthesis.

Chemical science·2025
Same author

Ground and Excited State Aromaticity in Azulene-Based Helicenes.

Chemphyschem : a European journal of chemical physics and physical chemistry·2025
Same author

The Adaptative Modulation of the Phosphinito-Phosphinous Acid Ligand: Computational Illustration Through Palladium-Catalyzed Alcohol Oxidation.

Molecules (Basel, Switzerland)·2024
Same author

Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.

Chemical science·2024

Related Experiment Video

Updated: Sep 21, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

8.6K

Electronic densities and valence bond wave functions.

D Hagebaum-Reignier1, J Racine1, S Humbel1

  • 1Aix Marseille Université, CNRS, Centrale Marseille iSm2, Marseille, France.

The Journal of Chemical Physics
|June 1, 2022
PubMed
Summary

Valence bond wave functions are analyzed using electronic density. Ionic and covalent component densities are identical, but their interaction modifies the overall electronic density.

More Related Videos

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

5.7K
Thermochemical Studies of NiII and ZnII Ternary Complexes Using Ion Mobility-Mass Spectrometry
16:11

Thermochemical Studies of NiII and ZnII Ternary Complexes Using Ion Mobility-Mass Spectrometry

Published on: June 8, 2022

2.4K

Related Experiment Videos

Last Updated: Sep 21, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

8.6K
Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

5.7K
Thermochemical Studies of NiII and ZnII Ternary Complexes Using Ion Mobility-Mass Spectrometry
16:11

Thermochemical Studies of NiII and ZnII Ternary Complexes Using Ion Mobility-Mass Spectrometry

Published on: June 8, 2022

2.4K

Area of Science:

  • Quantum Chemistry
  • Computational Chemistry
  • Electronic Structure Theory

Background:

  • Valence bond (VB) theory is a fundamental model in chemistry for describing chemical bonding.
  • Understanding the electronic density distribution is crucial for interpreting chemical properties and reactivity.
  • Previous studies have explored VB wave functions, but a detailed analysis from a density perspective is needed.

Purpose of the Study:

  • To investigate Valence Bond (VB) wave functions through the lens of electronic density.
  • To analyze the contributions of ionic and covalent components to the total electronic density.
  • To understand how the coupling between these components affects the electronic density distribution.

Main Methods:

  • Calculation and visualization of electronic densities derived from VB wave functions.
  • Comparison of densities with a quasi-state constructed from the same orbitals.
  • Analysis of densities corresponding to individual ionic and covalent components of the VB wave function.
  • Inclusion of the breathing orbital effect to assess its impact on density.

Main Results:

  • The electronic density is plotted as a difference relative to a quasi-state built on the same orbitals.
  • Densities of the ionic and covalent components of the VB wave function were found to be identical.
  • The coupling between ionic and covalent components leads to modifications in the electronic density.
  • The breathing orbital effect causes minor alterations to the electronic density.

Conclusions:

  • The study provides a density-based perspective on Valence Bond wave functions.
  • Despite having identical densities, the interplay between ionic and covalent components is key to understanding electronic density modifications.
  • These findings offer insights into the electronic structure and bonding characteristics described by VB theory.