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

Valence Bond Theory02:42

Valence Bond Theory

11.4K
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...
11.4K
Colors and Magnetism03:02

Colors and Magnetism

14.2K
Color in Coordination Complexes
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
14.2K
Paramagnetism01:30

Paramagnetism

3.1K
Paramagnets are materials with unpaired electrons that possess a finite magnetic moment. In the absence of a magnetic field, these moments are randomly oriented, and thus the net moment is zero. Under an external field, a torque acting on the moments tends to align them along the field's direction. However, the random thermal motion of electrons produces a torque opposite to the external field and tries to disorient the moments. These two competing effects align only a few moments along the...
3.1K
Ferromagnetism01:31

Ferromagnetism

3.2K
Materials like iron, nickel, and cobalt consist of magnetic domains, within which the magnetic dipoles are arranged parallel to each other. The magnetic dipoles are rigidly aligned in the same direction within a domain by quantum mechanical coupling among the atoms. This coupling is so strong that even thermal agitation at room temperature cannot break it. The result is that each domain has a net dipole moment. However, some materials have weaker coupling, and are ferromagnetic at lower...
3.2K
Properties of Organometallic Compounds01:23

Properties of Organometallic Compounds

1.8K
Organometallic compounds are compounds that contain a carbon–metal bond. Carbon belongs to an organyl group like alkyl, aryl, allyl, or benzyl groups. The metal can be from Group I or Group II of the periodic table, a transition metal, or a semimetal.
1.8K
Structural Isomerism02:34

Structural Isomerism

21.8K
Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can...
21.8K

You might also read

Related Articles

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

Sort by
Same author

Intermolecular Interactions of Linear Alkane (<i>N</i> ≤ 18) Dimers: A High Accuracy Theoretical Study.

ACS omega·2026
Same author

Binuclear Acetoniminato Derivatives of Iron and Chromium Carbonyls: A Theoretical Study.

ACS omega·2026
Same author

Effects of Formal Metal Oxidation State on the Preferred Structure Types in Binuclear Actinide Carbonyl Derivatives: Predicted Tetramerization of Carbon Monoxide to a Bridging Squarate Group in Uranium Chemistry.

The journal of physical chemistry. A·2026
Same author

Bare group 10 metal atoms as vertices in polyhedral metallaboranes: spherical aromaticity in the icosahedral MB<sub>11</sub>H<sub>11</sub> systems.

Physical chemistry chemical physics : PCCP·2026
Same author

High-spin face-capped deltahedra in divanadadicarbaboranes are very different from the singlet structures of chromium analogues.

Dalton transactions (Cambridge, England : 2003)·2025
Same author

Alkyne dichotomy and hydrogen migration in binuclear cyclopentadienylmetal alkyne complexes.

RSC advances·2025

Related Experiment Video

Updated: Feb 23, 2026

Isolating Free Carbenes, their Mixed Dimers and Organic Radicals
10:44

Isolating Free Carbenes, their Mixed Dimers and Organic Radicals

Published on: April 19, 2019

11.7K

Paramagnetism in Metallacarboranes: The Polyhedral Chromadicarbaborane Systems.

Szabolcs Jákó1, Alexandru Lupan2, Attila-Zsolt Kun1

  • 1Department of Chemistry and Chemical Engineering, Hungarian Line of Study, Faculty of Chemistry and Chemical Engineering, Babeş-Bolyai University , Cluj-Napoca, Romania.

Inorganic Chemistry
|September 7, 2017
PubMed
Summary

Chromadicarbaboranes featuring chromium offer stable paramagnetic metallaboranes. Computational studies reveal their lowest-energy structures adopt spherical geometries, contrasting with related cobalt systems.

More Related Videos

Author Spotlight: Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
06:53

Author Spotlight: Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks

Published on: June 9, 2023

2.7K
Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
08:55

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses

Published on: June 7, 2018

9.0K

Related Experiment Videos

Last Updated: Feb 23, 2026

Isolating Free Carbenes, their Mixed Dimers and Organic Radicals
10:44

Isolating Free Carbenes, their Mixed Dimers and Organic Radicals

Published on: April 19, 2019

11.7K
Author Spotlight: Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
06:53

Author Spotlight: Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks

Published on: June 9, 2023

2.7K
Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
08:55

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses

Published on: June 7, 2018

9.0K

Area of Science:

  • Organometallic Chemistry
  • Boron Chemistry
  • Computational Chemistry

Background:

  • Chromadicarbaboranes (CpCrC2Bn-3Hn-1) are a class of metallaboranes.
  • The 12-vertex CpCrC2B9H11 has been synthesized, demonstrating potential for stable paramagnetic deltahedral structures.
  • Understanding their structural and electronic properties is crucial for developing novel materials.

Purpose of the Study:

  • To investigate the lowest-energy structures of chromadicarbaboranes (CpCrC2Bn-3Hn-1) for n = 8-12.
  • To determine the preferred spin states and geometric arrangements of these metallaboranes.
  • To compare the structural preferences of chromadicarbaboranes with related cobalt systems.

Main Methods:

  • Density Functional Theory (DFT) calculations were employed to explore various isomers.
  • Analysis of spin states (quartet and doublet) and their corresponding energies.
  • Examination of deltahedral geometries, including closo and isocloso frameworks, and vertex coordination.

Main Results:

  • Lowest-energy structures are quartet spin-state Cr(III) complexes with spherical closo deltahedral geometries.
  • Higher-energy doublet structures exhibit isocloso geometries with a degree 6 vertex for chromium.
  • Carbon atoms predominantly occupy degree 4 vertices in lower-energy isomers (n=8-11), except for CpCrC2B9H11.
  • Preferred isomers across all systems maximize the number of chromium-carbon edges.

Conclusions:

  • Chromadicarbaboranes exhibit stable, highly symmetric deltahedral structures.
  • The electronic configuration and geometric preferences differ significantly from analogous cobalt compounds.
  • These findings provide insights into the structure-property relationships of paramagnetic metallaboranes.