Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

Valence Bond Theory

Valence Bond Theory

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...

Valence Bond Theory

Valence Bond Theory

Overview of Valence Bond Theory

Valence Bond Theory and Hybridized Orbitals

Valence Bond Theory and Hybridized Orbitals

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...

Hybridization of Atomic Orbitals I

Hybridization of Atomic Orbitals I

The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...

VSEPR Theory and the Basic Shapes

VSEPR Theory and the Basic Shapes

Overview of VSEPR Theory

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

You might also read

Related Articles

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

Sort by

Same author

Flat band ferromagnetism in Pb[Formula: see text]Sb[Formula: see text]O[Formula: see text] via a self-doped mechanism.

Scientific reports·2023

Same author

Possibility of Flat-Band Ferromagnetism in Hole-Doped Pyrochlore Oxides Sn_{2}Nb_{2}O_{7} and Sn_{2}Ta_{2}O_{7}.

Physical review letters·2018

Same author

Computational Design of Flat-Band Material.

Nanoscale research letters·2018

Same author

High-energy anomaly in the band dispersion of the ruthenate superconductor.

Physical review letters·2012

Same author

Interplay among Coulomb interaction, spin-orbit interaction, and multiple electron-boson interactions in Sr2RuO4.

Physical review letters·2011

Same author

Kink in the dispersion of layered strontium ruthenates.

Physical review letters·2004

Search research articles

Related Experiment Video

Updated: Mar 7, 2026

Versatile CO2 Transformations into Complex Products: A One-pot Two-step Strategy

Versatile CO2 Transformations into Complex Products: A One-pot Two-step Strategy

Published on: November 9, 2019

One Way to Design a Valence-Skip Compound.

I Hase¹, T Yanagisawa², K Kawashima³

¹National Institute of Advanced Industrial Science and Technology (AIST), AIST Central 2, Umezono 1-1-4, Tsukuba, Ibaraki, 305-8568, Japan. i.hase@aist.go.jp.

Nanoscale Research Letters

|February 26, 2017

Summary

Valence-skip compounds show promise for high critical temperature (Tc) superconductivity. Researchers designed these materials using first-principles calculations, confirming stable charge-density waves in RbTlCl3 that can be collapsed under pressure.

Keywords:

BaBiO3 CDW Electronic structure RbTlCl3 Superconductivity Valence skip

More Related Videos

Design, Synthesis, and Photochemical Properties of Clickable Caged Compounds

Design, Synthesis, and Photochemical Properties of Clickable Caged Compounds

Published on: October 15, 2019

The Synthesis of [Sn10SiSiMe334]2- Using a Metastable SnI Halide Solution Synthesized via a Co-condensation Technique

The Synthesis of [Sn10SiSiMe334]2- Using a Metastable SnI Halide Solution Synthesized via a Co-condensation Technique

Published on: November 28, 2016

Related Experiment Videos

Last Updated: Mar 7, 2026

Versatile CO2 Transformations into Complex Products: A One-pot Two-step Strategy

Versatile CO2 Transformations into Complex Products: A One-pot Two-step Strategy

Published on: November 9, 2019

Design, Synthesis, and Photochemical Properties of Clickable Caged Compounds

Design, Synthesis, and Photochemical Properties of Clickable Caged Compounds

Published on: October 15, 2019

The Synthesis of [Sn10SiSiMe334]2- Using a Metastable SnI Halide Solution Synthesized via a Co-condensation Technique

The Synthesis of [Sn10SiSiMe334]2- Using a Metastable SnI Halide Solution Synthesized via a Co-condensation Technique

Published on: November 28, 2016

Area of Science:

Condensed Matter Physics
Materials Science
Computational Chemistry

Background:

Valence-skip compounds offer potential for high critical temperature (Tc) and low anisotropy due to strong attractive interactions.
Synthesis challenges include unstable valence states, competing charge orders, and ambiguous formal valences.

Purpose of the Study:

To explore the design principles of valence-skip compounds using first-principles calculations.
To investigate the electronic structure and properties of RbTlCl3 as a promising candidate.

Main Methods:

First-principles calculations were employed to design and analyze valence-skip compounds.
Electronic structure calculations were performed for RbTlCl3.
Structure optimization studies were conducted under varying pressures.

Main Results:

First-principles calculations guided the design of valence-skip compounds.
RbTlCl3 exhibits a stable charge-density wave (CDW) at ambient pressure, with Tl atoms adopting 1+ and 3+ valences.
The CDW in RbTlCl3 collapses under several gigapascals of pressure, leading to a metallic phase.

Conclusions:

First-principles calculations are effective tools for designing valence-skip compounds.
RbTlCl3 presents a stable CDW, which can be tuned by pressure.
The pressure-induced metallic phase in RbTlCl3 is predicted to exhibit significant charge fluctuation and electron-phonon interaction.