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

Ionic Bonding and Electron Transfer02:48

Ionic Bonding and Electron Transfer

46.6K
Ions are atoms or molecules bearing an electrical charge. A cation (a positive ion) forms when a neutral atom loses one or more electrons from its valence shell, and an anion (a negative ion) forms when a neutral atom gains one or more electrons in its valence shell. Compounds composed of ions are called ionic compounds (or salts), and their constituent ions are held together by ionic bonds: electrostatic forces of attraction between oppositely charged cations and anions. 
46.6K
Molecular Orbital Theory II03:51

Molecular Orbital Theory II

21.7K
Molecular Orbital Energy Diagrams
21.7K
Valence Bond Theory and Hybridized Orbitals02:38

Valence Bond Theory and Hybridized Orbitals

24.6K
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...
24.6K
MO Theory and Covalent Bonding02:40

MO Theory and Covalent Bonding

11.3K
The molecular orbital theory describes the distribution of electrons in molecules in a manner similar to the distribution of electrons in atomic orbitals. The region of space in which a valence electron in a molecule is likely to be found is called a molecular orbital. Mathematically, the linear combination of atomic orbitals (LCAO) generates molecular orbitals. Combinations of in-phase atomic orbital wave functions result in regions with a high probability of electron density, while...
11.3K
Valence Bond Theory02:45

Valence Bond Theory

38.9K
Overview of Valence Bond Theory
38.9K
Valence Bond Theory02:42

Valence Bond Theory

8.9K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
8.9K

You might also read

Related Articles

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

Sort by
Same author

B<sub>3</sub>C<sub>2</sub>N<sub>3</sub> monolayer with vacancy defects decorated with lithium as a potential hydrogen storage system: a DFT study.

Physical chemistry chemical physics : PCCP·2025
Same author

<i>Ab initio</i> insights into the face, edge, and vertex interactions of BH<sub>4</sub> <sup>1-</sup> with electron-accepting molecules.

RSC advances·2025
Same author

Optimized adsorption of volatile organic compounds on graphene oxide and nanoporous graphene activated with ZnCl<sub>2</sub>: a combined experimental and computational study.

Nanoscale advances·2025
Same author

Oxygen reduction reaction catalyzed by C<sub>2</sub>N nanosheet doped with a phosphorous atom: Insights from DFT calculations.

Journal of molecular graphics & modelling·2025
Same author

Mn and Cu complexes of a novel malic acid-cysteine ligand with remarkable ROS scavenging activity.

RSC advances·2025
Same author

In silico study of salicylic acid derivatives as inhibitors of Ebola proteins through molecular docking.

Computational biology and chemistry·2025

Related Experiment Video

Updated: May 1, 2026

Screening of Coatings for an All-Solid-State Battery Using In Situ Transmission Electron Microscopy
07:20

Screening of Coatings for an All-Solid-State Battery Using In Situ Transmission Electron Microscopy

Published on: January 20, 2023

4.1K

Mutual influence between conventional and unconventional lithium bonds.

Mehdi D Esrafili1, Parvin Fatehi1, Mohammad Solimannejad2

  • 1Laboratory of Theoretical Chemistry, Department of Chemistry, University of Maragheh, P.O. Box 5513864596, Maragheh, Iran.

Journal of Molecular Graphics & Modelling
|March 25, 2014
PubMed
Summary

This study reveals cooperative effects in lithium bond interactions within NCLi and CNLi complexes. Shorter distances amplify these effects, which are well-described by electron density and spin-spin coupling constants.

Keywords:
Ab initioCooperativityElectrostatic interactionsLithium bondQTAIM

More Related Videos

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
06:44

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding

Published on: March 24, 2018

71.2K
In Situ Neutron Powder Diffraction Using Custom-made Lithium-ion Batteries
11:25

In Situ Neutron Powder Diffraction Using Custom-made Lithium-ion Batteries

Published on: November 10, 2014

15.1K

Related Experiment Videos

Last Updated: May 1, 2026

Screening of Coatings for an All-Solid-State Battery Using In Situ Transmission Electron Microscopy
07:20

Screening of Coatings for an All-Solid-State Battery Using In Situ Transmission Electron Microscopy

Published on: January 20, 2023

4.1K
From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
06:44

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding

Published on: March 24, 2018

71.2K
In Situ Neutron Powder Diffraction Using Custom-made Lithium-ion Batteries
11:25

In Situ Neutron Powder Diffraction Using Custom-made Lithium-ion Batteries

Published on: November 10, 2014

15.1K

Area of Science:

  • Computational Chemistry
  • Supramolecular Chemistry
  • Quantum Chemistry

Background:

  • Lithium bonds are crucial in various chemical systems.
  • Understanding cooperative effects in these bonds is essential for designing new materials and catalysts.
  • Previous studies have explored individual lithium bond types, but their interplay remains less understood.

Purpose of the Study:

  • To investigate the cooperative effects between conventional and unconventional lithium bonds in NCLi⋯NCLi⋯XCCX and CNLi⋯CNLi⋯XCCX complexes.
  • To analyze the influence of different substituents (X=H, F, Cl, Br, OH, CH3, OCH3) on these cooperative interactions.
  • To establish quantitative relationships between cooperative effects and measurable properties.

Main Methods:

  • Ab initio calculations were employed to model the electronic structure and properties of the complexes.
  • Analysis included geometric parameters, interaction energies, and electron charge density distributions.
  • Spin-spin coupling constants across lithium bonds were calculated.

Main Results:

  • Cooperative effects were observed when Li⋯N(C) and Li⋯π bonds coexist.
  • These effects are more pronounced in complexes with shorter intermolecular distances.
  • Electron density at lithium bond critical points serves as a good descriptor for cooperative effects.
  • An excellent linear correlation was found between cooperative energies and spin-spin coupling constants.

Conclusions:

  • The coexistence of different lithium bond types leads to significant cooperative effects.
  • Intermolecular distance and electron density are key factors governing the strength of these cooperative interactions.
  • Spin-spin coupling constants provide a reliable quantitative measure of cooperative effects in lithium bonding systems.