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

Molecular Orbital Theory II03:51

Molecular Orbital Theory II

27.7K
Molecular Orbital Energy Diagrams
27.7K
Molecular Orbital Theory I02:35

Molecular Orbital Theory I

47.9K
Overview of Molecular Orbital Theory
47.9K
Valence Bond Theory and Hybridized Orbitals02:38

Valence Bond Theory and Hybridized Orbitals

31.1K
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...
31.1K
Valence Bond Theory02:45

Valence Bond Theory

50.5K
Overview of Valence Bond Theory
50.5K
The Pauli Exclusion Principle03:06

The Pauli Exclusion Principle

59.7K
The arrangement of electrons in the orbitals of an atom is called its electron configuration. We describe an electron configuration with a symbol that contains three pieces of information:
59.7K
Singularity Functions for Shear01:26

Singularity Functions for Shear

462
In structural analysis, singularity functions are crucial in simplifying the representation of shear forces in beams under discontinuous loading. These functions describe discontinuous  variations in shear force across a beam with varying loads by using a single mathematical expression, regardless of the complexity of the loading conditions. The singularity functions are derived from creating a free-body diagram of the beam and then making conceptual cuts at specific points to examine the...
462

You might also read

Related Articles

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

Sort by
Same author

Molecular archaeology: Searching for buried connections between microscopic and macroscopic properties of the halomethanes.

Journal of molecular modeling·2026
Same author

Engineering Ultrafast Molecular Rotors via Chalcogen bonds.

Journal of the American Chemical Society·2026
Same author

Resonance-Assisted Tetrel Bond.

The journal of physical chemistry. A·2026
Same author

Structure-activity studies reveal efficient inactivation of urease by Ebsulfur-based compounds.

Journal of inorganic biochemistry·2026
Same author

Benefits of Categorizing Noncovalent Bonds Based on Hydrogen, Halogen, Chalcogen, and Pnictogen Bonds.

Angewandte Chemie (International ed. in English)·2026
Same author

A Computational Renaissance in High-Energy Density Materials (HEDMs) Research.

Chemical reviews·2025

Related Experiment Video

Updated: Feb 17, 2026

Studying Large Amplitude Oscillatory Shear Response of Soft Materials
06:07

Studying Large Amplitude Oscillatory Shear Response of Soft Materials

Published on: April 25, 2019

13.7K

The σ-hole revisited.

Peter Politzer1, Jane S Murray, Timothy Clark

  • 1Department of Chemistry, University of New Orleans, New Orleans, LA 70148, USA. ppolitze@uno.edu.

Physical Chemistry Chemical Physics : PCCP
|December 5, 2017
PubMed
Summary
This summary is machine-generated.

Atoms form "σ-holes" with positive potentials, enabling noncovalent interactions. Deviations in this potential influence interaction linearity, particularly for Groups V and VI elements.

More Related Videos

Use of Sacrificial Nanoparticles to Remove the Effects of Shot-noise in Contact Holes Fabricated by E-beam Lithography
07:47

Use of Sacrificial Nanoparticles to Remove the Effects of Shot-noise in Contact Holes Fabricated by E-beam Lithography

Published on: February 12, 2017

7.6K
Three-Dimensional Particle Shape Analysis Using X-ray Computed Tomography: Experimental Procedure and Analysis Algorithms for Metal Powders
10:10

Three-Dimensional Particle Shape Analysis Using X-ray Computed Tomography: Experimental Procedure and Analysis Algorithms for Metal Powders

Published on: December 4, 2020

2.2K

Related Experiment Videos

Last Updated: Feb 17, 2026

Studying Large Amplitude Oscillatory Shear Response of Soft Materials
06:07

Studying Large Amplitude Oscillatory Shear Response of Soft Materials

Published on: April 25, 2019

13.7K
Use of Sacrificial Nanoparticles to Remove the Effects of Shot-noise in Contact Holes Fabricated by E-beam Lithography
07:47

Use of Sacrificial Nanoparticles to Remove the Effects of Shot-noise in Contact Holes Fabricated by E-beam Lithography

Published on: February 12, 2017

7.6K
Three-Dimensional Particle Shape Analysis Using X-ray Computed Tomography: Experimental Procedure and Analysis Algorithms for Metal Powders
10:10

Three-Dimensional Particle Shape Analysis Using X-ray Computed Tomography: Experimental Procedure and Analysis Algorithms for Metal Powders

Published on: December 4, 2020

2.2K

Area of Science:

  • * Computational chemistry
  • * Molecular interactions
  • * Electrostatics

Background:

  • * Covalently bonded atoms possess a σ-hole, a region of low electron density opposite the bond.
  • * This σ-hole often exhibits a positive electrostatic potential, facilitating noncovalent interactions with negative sites.
  • * Molecular contributions can alter the σ-hole's potential value and angular position, causing deviations from the bond axis.

Purpose of the Study:

  • * To investigate how molecular contributions affect the electrostatic potential of σ-holes.
  • * To analyze the consequences of these potential deviations on the directionality of noncovalent intermolecular interactions.
  • * To survey these effects across atoms in Groups IV-VII.

Main Methods:

  • * Survey of σ-hole properties and electrostatic potentials for atoms in Groups IV-VII.
  • * Analysis of the relationship between potential deviations and intermolecular interaction linearity.
  • * Calculation of electrostatic potentials on the 0.001 a.u. electronic density contour.

Main Results:

  • * Deviations in the positive potential of the σ-hole influence the linearity of noncovalent interactions.
  • * Larger potential deviations lead to less linear interactions; smaller deviations result in more linear interactions.
  • * Atoms in Groups V and VI exhibit the greatest deviations in positive potentials and nonlinearities in interactions.

Conclusions:

  • * The deviation of the σ-hole's positive potential significantly impacts the geometry of noncovalent interactions.
  • * Atoms in Groups V and VI are key players in determining the linearity of these interactions.
  • * The 0.001 a.u. electronic density contour is a suitable surface for computing electrostatic potentials relevant to these interactions.