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

Van der Waals Interactions01:24

Van der Waals Interactions

67.1K
Atoms and molecules interact with each other through intermolecular forces. These electrostatic forces arise from attractive or repulsive interactions between particles with permanent, partial, or temporary charges. The intermolecular forces between neutral atoms and molecules are ion–dipole, dipole–dipole, and dispersion forces, collectively known as van der Waals forces.
67.1K
Molecular Geometry and Dipole Moments02:36

Molecular Geometry and Dipole Moments

15.0K
The VSEPR theory can be used to determine the electron pair geometries and molecular structures as follows:
15.0K
¹H NMR: Long-Range Coupling01:27

¹H NMR: Long-Range Coupling

2.0K
The coupling interactions of nuclei across four or more bonds are usually weak, with J values less than 1 Hz. While these are usually not observed in spectra, the presence of multiple bonds along the coupling pathway can result in observable long-range coupling.
In alkenes, spin information is communicated via σ–π overlap, as seen in allylic (four-bond) and homoallylic (five-bond) couplings. These coupling interactions are stronger when the σ bond is parallel to the alkene...
2.0K
Intermolecular Forces03:13

Intermolecular Forces

62.1K
Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen...
62.1K
UV–Vis Spectroscopy: Woodward–Fieser Rules01:29

UV–Vis Spectroscopy: Woodward–Fieser Rules

26.0K
UV–Visible absorption spectra of conjugated dienes arise from the lowest energy π → π* transitions. The light-absorbing part of the molecule is called the chromophore, and the substituents directly attached to the chromophore are called auxochromes. A strong correlation exists between the absorption maxima, λmax, and the structure of a conjugated π system. The Woodward–Fieser rules predict the value of λmax for a given...
26.0K
Bond Polarity, Dipole Moment, and Percent Ionic Character02:48

Bond Polarity, Dipole Moment, and Percent Ionic Character

30.5K
Bond Polarity
30.5K

You might also read

Related Articles

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

Sort by
Same author

Modeling of the thermal migration mechanisms of atomic oxygen in Ar, Kr, and Xe crystals.

The Journal of chemical physics·2021
Same author

Polarizabilities, dispersion coefficients, and retardation functions at the complete basis set CCSD limit: From Be to Ba plus Yb.

The Journal of chemical physics·2019
Same author

Stable axially symmetric atomic impurity in an fcc solid-Ba in rare gases.

The Journal of chemical physics·2019
Same author

Ab initio interaction potentials of the Ba, Ba<sup>+</sup> complexes with Ar, Kr, and Xe in the lowest excited states.

The Journal of chemical physics·2019
Same author

Interaction potentials and transport properties of Ba, Ba<sup>+</sup>, and Ba<sup>2+</sup> in rare gases from He to Xe.

The Journal of chemical physics·2018

Related Experiment Video

Updated: Sep 30, 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

Extended combination rule for like-atom dipole dispersion coefficients.

Giorgio Visentin1, Inna S Kalinina1, Alexei A Buchachenko1

  • 1CEST, Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Moscow 121205, Russia.

The Journal of Chemical Physics
|March 15, 2022
PubMed
Summary

A new combination rule accurately predicts dipole-dipole dispersion coefficients for atomic interactions, achieving over 99% accuracy in tests. This method aids in calculating interaction properties between different atomic species.

More Related Videos

In Situ Monitoring of Diffusion of Guest Molecules in Porous Media Using Electron Paramagnetic Resonance Imaging
06:34

In Situ Monitoring of Diffusion of Guest Molecules in Porous Media Using Electron Paramagnetic Resonance Imaging

Published on: September 2, 2016

6.5K
Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level
06:55

Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level

Published on: September 26, 2016

8.0K

Related Experiment Videos

Last Updated: Sep 30, 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
In Situ Monitoring of Diffusion of Guest Molecules in Porous Media Using Electron Paramagnetic Resonance Imaging
06:34

In Situ Monitoring of Diffusion of Guest Molecules in Porous Media Using Electron Paramagnetic Resonance Imaging

Published on: September 2, 2016

6.5K
Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level
06:55

Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level

Published on: September 26, 2016

8.0K

Area of Science:

  • Atomic and Molecular Physics
  • Quantum Chemistry
  • Computational Physics

Background:

  • Accurate calculation of interatomic forces is crucial in physics and chemistry.
  • Dipole-dipole dispersion coefficients (C6) are key parameters for describing long-range interactions.
  • Existing methods for calculating C6 coefficients can be computationally intensive or limited in scope.

Purpose of the Study:

  • To develop an extended combination rule for calculating dipole-dipole dispersion coefficients.
  • To relate the dispersion coefficients of like target species interactions to those involving partner species.
  • To assess the accuracy and applicability of the proposed combination rule.

Main Methods:

  • Derivation of the combination rule via uniform discretization of the Casimir-Polder integral.
  • Alternative derivation by relating dynamic dipole polarizabilities of target and partner species.
  • Solving a system of linear equations requiring knowledge of partner species interaction coefficients.

Main Results:

  • The proposed extended combination rule accurately predicts dipole-dipole dispersion coefficients.
  • Tests show accuracy better than 1% for Ytterbium (Yb) atom interacting with rare gases and alkaline-earth metals.
  • The rule provides a reliable method for calculating C6 coefficients between diverse atomic species.

Conclusions:

  • The extended combination rule offers a highly accurate and efficient method for determining dipole-dipole dispersion coefficients.
  • This approach simplifies the calculation of interatomic interaction parameters.
  • While accurate for dispersion coefficients, the rule does not guarantee accurate dynamic polarizability approximations.