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

Thermal Sigmatropic Reactions: Overview01:16

Thermal Sigmatropic Reactions: Overview

2.1K
Sigmatropic rearrangements are a class of pericyclic reactions in which a σ bond migrates from one part of a π system to another. These are intramolecular rearrangements where the total number of σ and π bonds remain unchanged.
Sigmatropic shifts are classified based on an order term [i, j ], where i and j indicate the number of atoms across which each end of the σ bond migrates. Below are examples of a [3,3] sigmatropic shift in...
2.1K
Radicals: Electronic Structure and Geometry01:07

Radicals: Electronic Structure and Geometry

4.1K
This lesson delves into the geometry of a radical, which is influenced by the electronic structure of the molecule. The principle is similar to that of a lone pair, where the unpaired electron influences the geometry at the radical center.
Accordingly, the structure of a trivalent radical lies between the geometries of carbocations and carbanions. An sp2-hybridized carbocation is trigonal planar, while an sp3-hybridized carbanion is trigonal pyramidal. Here, the difference in geometry is...
4.1K
[3,3] Sigmatropic Rearrangement of 1,5-Dienes: Cope Rearrangement01:21

[3,3] Sigmatropic Rearrangement of 1,5-Dienes: Cope Rearrangement

2.8K
The Cope rearrangement is classified as a [3,3] sigmatropic shift in 1,5-dienes, leading to a more stable, isomeric 1,5-diene. The reaction involves a concerted movement of six electrons, four from two π bonds and two from a σ bond, via an energetically favorable chair-like transition state.
2.8K
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

43.4K
Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
43.4K
π Electron Effects on Chemical Shift: Aromatic and Antiaromatic Compounds01:14

π Electron Effects on Chemical Shift: Aromatic and Antiaromatic Compounds

1.2K
In aromatic compounds, such as benzene, the circulation of (4n + 2) π-electrons sets up a diamagnetic or diatropic ring current around the perimeter of the molecule. This current induces a magnetic field that opposes the external field inside the ring and reinforces it on the outside. The protons in benzene are deshielded and exhibit high chemical shifts in the range 6.5–8.5 ppm. The shielding effect at the center of the ring is evident in complex aromatic molecules, such as...
1.2K
Hybridization of Atomic Orbitals I03:24

Hybridization of Atomic Orbitals I

47.5K
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...
47.5K

You might also read

Related Articles

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

Sort by
Same author

Stabilizing the 8π-Conjugated Bicyclic Species via Two-Dimensional Superatomic-Molecule Theory.

The journal of physical chemistry. A·2026
Same author

Early versus delayed enteral nutrition in patients with sepsis: a propensity score-matched cohort study at a tertiary hospital in Hebei, China.

BMJ open·2026
Same author

Formation of Unusual Deprotomers of Citric Acid and Sodium Citrate Aggregates: A Photoelectron Spectroscopy and Computational Study.

The journal of physical chemistry letters·2026
Same author

Development and evaluation of deep learning models for automatic coronary stenosis segmentation in X-ray angiography.

Journal of X-ray science and technology·2026
Same author

Heterologous expression, enzymatic activity, and functional characterization of Cathepsin L from tomonts of Cryptocaryon irritans.

Veterinary parasitology·2026
Same author

Band Gap Engineering of Nanoribbons Composed of Staggered Acenes Based on 2D Superatomic-Molecule Theory.

The journal of physical chemistry. A·2026

Related Experiment Video

Updated: Aug 6, 2025

Synthesis of Near-Infrared Emitting Gold Nanoclusters for Biological Applications
09:11

Synthesis of Near-Infrared Emitting Gold Nanoclusters for Biological Applications

Published on: March 22, 2020

7.9K

Planar σ-Aromaticity in Ga-Doped Au Clusters.

Qiman Liu1,2, Manli Zhang1, Xing Gao1

  • 1School of Chemistry and Materials Engineering, Huainan Normal University, Huainan 232038, P. R. China.

The Journal of Physical Chemistry. A
|March 20, 2023
PubMed
Summary

This study explores gold-gallium (Au-Ga) clusters, revealing that Au3Ga and Au5Ga exhibit planar structures and enhanced stability. These findings introduce aromaticity concepts to Au-Ga cluster research.

More Related Videos

Atom Probe Tomography Studies on the CuIn,GaSe2 Grain Boundaries
09:51

Atom Probe Tomography Studies on the CuIn,GaSe2 Grain Boundaries

Published on: April 22, 2013

12.9K
Author Spotlight: Designing Sustainable Nanomaterials for Advancing Synthesis and Element Mixing
03:54

Author Spotlight: Designing Sustainable Nanomaterials for Advancing Synthesis and Element Mixing

Published on: March 15, 2024

936

Related Experiment Videos

Last Updated: Aug 6, 2025

Synthesis of Near-Infrared Emitting Gold Nanoclusters for Biological Applications
09:11

Synthesis of Near-Infrared Emitting Gold Nanoclusters for Biological Applications

Published on: March 22, 2020

7.9K
Atom Probe Tomography Studies on the CuIn,GaSe2 Grain Boundaries
09:51

Atom Probe Tomography Studies on the CuIn,GaSe2 Grain Boundaries

Published on: April 22, 2013

12.9K
Author Spotlight: Designing Sustainable Nanomaterials for Advancing Synthesis and Element Mixing
03:54

Author Spotlight: Designing Sustainable Nanomaterials for Advancing Synthesis and Element Mixing

Published on: March 15, 2024

936

Area of Science:

  • Computational chemistry
  • Materials science
  • Cluster physics

Background:

  • The synthesis of the first Au-Ga clusters opens new avenues in superatom chemistry.
  • Understanding the electronic structure and stability of doped clusters is crucial for novel material design.

Purpose of the Study:

  • To analyze the structural features and stability of Ga-doped Au clusters with specific magic electron numbers (6 and 8).
  • To investigate the valence electron fillings, chemical bonding, and aromaticity of Au3Ga and Au5Ga clusters.

Main Methods:

  • Density Functional Theory (DFT) calculations for structural and electronic properties.
  • Ab initio molecular dynamics (AIMD) simulations for thermal stability assessment.
  • Molecular orbital analysis, Electron Localization Function (ELF), and Natural Population Analysis (NPA) for bonding and aromaticity.
  • NICSzz-scan curves to quantify aromaticity.

Main Results:

  • Au3Ga and Au5Ga clusters adopt stable planar configurations with magic electron counts.
  • These planar clusters exhibit significant thermal stability up to 500 K.
  • Molecular orbital analyses confirm planar σ-aromaticity, with Au3Ga showing higher aromaticity than Au5Ga due to more delocalized electrons.

Conclusions:

  • Ga-doped Au clusters, specifically Au3Ga and Au5Ga, demonstrate unique planar structures and enhanced stability.
  • The study establishes planar σ-aromaticity in these Au-Ga clusters, expanding the scope of aromaticity research.
  • These findings pave the way for exploring novel electronic and chemical properties of Au-Ga superatomic systems.