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 Crystal Structures02:42

Ionic Crystal Structures

16.6K
Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
16.6K
Predicting Molecular Geometry02:27

Predicting Molecular Geometry

44.1K
VSEPR Theory for Determination of Electron Pair Geometries
44.1K
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

30.2K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
30.2K
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

47.7K
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,...
47.7K

You might also read

Related Articles

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

Sort by
Same author

Failed Attempts at Oxidation of XeF<sub>6</sub>: Synthesis and Characterization of [Xe<sub>2</sub>F<sub>11</sub>][RuF<sub>6</sub>].

Inorganic chemistry·2026
Same author

Fluoridobromate(V)-hydrogen fluoride cocrystals.

Acta chimica Slovenica·2026
Same author

Crystal Structures and Intermolecular Interactions in <math><semantics><mi>α</mi> <annotation>$\alpha$</annotation></semantics></math> - and <math><semantics><mi>β</mi> <annotation>$\beta$</annotation></semantics></math> -phosgene.

Angewandte Chemie (International ed. in English)·2025
Same author

Toward a thermodynamic stability order of the phosphorus allotropes.

RSC advances·2025
Same author

Syntheses, Single-Crystal Structures, and Structural Chemistry of Hexafluoridouranates(V), <i>M</i>UF<sub>6</sub> (<i>M</i> = Li-Cs, Ag, Tl, H<sub>3</sub>O), and the Dodecafluoridodiuranate(V) Ba[U<sub>2</sub>F<sub>12</sub>]·1.36HF.

Inorganic chemistry·2025
Same author

Pyroelectric properties of Pb[Zr<sub>0.5</sub>Ti<sub>0.5</sub>]O<sub>3</sub> studied with a hybrid density functional method.

Physical chemistry chemical physics : PCCP·2025

Related Experiment Video

Updated: Dec 31, 2025

Multi-target Parallel Processing Approach for Gene-to-structure Determination of the Influenza Polymerase PB2 Subunit
22:10

Multi-target Parallel Processing Approach for Gene-to-structure Determination of the Influenza Polymerase PB2 Subunit

Published on: June 28, 2013

13.6K

Evolutionary Algorithm-based Crystal Structure Prediction for Gold(I) Fluoride.

Kim Eklund1, Mikhail S Kuklin1, Florian Kraus2

  • 1Department of Chemistry and Materials Science, Aalto University, P.O. Box 16100, FI-00076, Aalto, Finland.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|January 11, 2020
PubMed
Summary

Researchers explored hypothetical gold(I) fluoride crystal structures. The mixed-valence compound Au3[AuF4] emerged as the most thermodynamically stable gold fluoride species.

Keywords:
aurophilicitydensity functional calculationsfluoridesgoldstructure elucidation

More Related Videos

Sample Preparation and Transfer Protocol for In-Vacuum Long-Wavelength Crystallography on Beamline I23 at Diamond Light Source
10:32

Sample Preparation and Transfer Protocol for In-Vacuum Long-Wavelength Crystallography on Beamline I23 at Diamond Light Source

Published on: April 23, 2021

3.1K
Author Spotlight: High-Throughput Screening to Obtain Crystal Hits for Protein Crystallography
06:19

Author Spotlight: High-Throughput Screening to Obtain Crystal Hits for Protein Crystallography

Published on: March 10, 2023

5.5K

Related Experiment Videos

Last Updated: Dec 31, 2025

Multi-target Parallel Processing Approach for Gene-to-structure Determination of the Influenza Polymerase PB2 Subunit
22:10

Multi-target Parallel Processing Approach for Gene-to-structure Determination of the Influenza Polymerase PB2 Subunit

Published on: June 28, 2013

13.6K
Sample Preparation and Transfer Protocol for In-Vacuum Long-Wavelength Crystallography on Beamline I23 at Diamond Light Source
10:32

Sample Preparation and Transfer Protocol for In-Vacuum Long-Wavelength Crystallography on Beamline I23 at Diamond Light Source

Published on: April 23, 2021

3.1K
Author Spotlight: High-Throughput Screening to Obtain Crystal Hits for Protein Crystallography
06:19

Author Spotlight: High-Throughput Screening to Obtain Crystal Hits for Protein Crystallography

Published on: March 10, 2023

5.5K

Area of Science:

  • Inorganic Chemistry
  • Materials Science
  • Computational Chemistry

Background:

  • Gold(I) fluoride (AuF) is an unsynthesized and uncharacterized compound.
  • Understanding the potential structures and stability of AuF is crucial for advancing gold chemistry.

Purpose of the Study:

  • To search for potential crystal structures of gold(I) fluoride.
  • To evaluate the thermodynamic stability and behavior under pressure of hypothetical AuF compounds.

Main Methods:

  • Utilized the USPEX evolutionary algorithm for crystal structure prediction.
  • Employed dispersion-corrected hybrid density functional methods for electronic structure calculations.
  • Investigated over 4000 potential AuF crystal structures and their stability up to 25 GPa.

Main Results:

  • Identified a mixed-valence compound, Au3[AuF4], as the most thermodynamically stable AuF species.
  • Analyzed the behavior of various AuF crystal structures under high pressure.
  • Evaluated the thermodynamic stability against known gold fluorides like AuF3, AuF5, and Au3F8.

Conclusions:

  • The mixed-valence compound Au3[AuF4] is predicted to be the most stable form of gold(I) fluoride.
  • Computational methods provide a pathway to explore and predict stable inorganic compounds.