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

Coordination Compounds and Nomenclature02:54

Coordination Compounds and Nomenclature

24.5K
In most main group element compounds, the valence electrons of the isolated atoms combine to form chemical bonds that satisfy the octet rule. For instance, the four valence electrons of carbon overlap with electrons from four hydrogen atoms to form CH4. The one valence electron leaves sodium and adds to the seven valence electrons of chlorine to form the ionic formula unit NaCl (Figure 1a). Transition metals do not normally bond in this fashion. They primarily form coordinate covalent bonds, a...
24.5K
Coordination Number and Geometry02:57

Coordination Number and Geometry

17.5K
For transition metal complexes, the coordination number determines the geometry around the central metal ion. Table 1 compares coordination numbers to molecular geometry. The most common structures of the complexes in coordination compounds are octahedral, tetrahedral, and square planar.
17.5K
Valence Bond Theory02:42

Valence Bond Theory

10.1K
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...
10.1K
Metal-Ligand Bonds02:51

Metal-Ligand Bonds

22.8K
The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
22.8K
Lattice Centering and Coordination Number02:33

Lattice Centering and Coordination Number

10.8K
The structure of a crystalline solid, whether a metal or not, is best described by considering its simplest repeating unit, which is referred to as its unit cell. The unit cell consists of lattice points that represent the locations of atoms or ions. The entire structure then consists of this unit cell repeating in three dimensions. The three different types of unit cells present in the cubic lattice are illustrated in Figure 1.
Types of Unit Cells
Imagine taking a large number of identical...
10.8K
Structural Isomerism02:34

Structural Isomerism

20.7K
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...
20.7K

You might also read

Related Articles

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

Sort by
Same author

Field-induced non-linear magnetic responses of all-metal Jellium σ-aromats.

Nature communications·2026
Same author

Catalytic Ambient Temperature Dinitrogen Conversion to a Bis(silyl)amine by Mononuclear Group 4 Aryloxide Complexes.

Inorganic chemistry·2026
Same author

Magnetic Exchange Coupling in Radical-Bridged Lanthanide Complexes.

Journal of chemical theory and computation·2026
Same author

The interaction of Pu(IV) with the hematite (001) terminations: a periodic boundary condition DFT study.

Dalton transactions (Cambridge, England : 2003)·2026
Same author

Computational study of the effect of Lewis base additives and molecular spin state in SmI<sub>2</sub>-chemistry.

Chemical science·2026
Same author

Electron-electrophile coupled dinitrogen reduction in a cerium-<i>meta</i>-tetraphenolate system: a computational study.

Physical chemistry chemical physics : PCCP·2026

Related Experiment Video

Updated: Nov 17, 2025

Thermochemical Studies of NiII and ZnII Ternary Complexes Using Ion Mobility-Mass Spectrometry
16:11

Thermochemical Studies of NiII and ZnII Ternary Complexes Using Ion Mobility-Mass Spectrometry

Published on: June 8, 2022

2.5K

High coordination number actinide-noble gas complexes; a computational study.

Lin Yang1, Sophie Cooper1, Nikolas Kaltsoyannis1

  • 1Department of Chemistry, School of Natural Sciences, The University of Manchester, Oxford Road, Manchester M13 9PL, UK. nikolas.kaltsoyannis@manchester.ac.uk.

Physical Chemistry Chemical Physics : PCCP
|February 15, 2021
PubMed
Summary

Computational studies reveal early actinide-noble gas complexes exhibit record coordination numbers, with increasing covalency and charge transfer across the series. These findings advance understanding of heavy element bonding.

More Related Videos

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
14:44

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR

Published on: December 16, 2013

9.8K
Amide Coupling Reaction for the Synthesis of Bispyridine-based Ligands and Their Complexation to Platinum as Dinuclear Anticancer Agents
07:20

Amide Coupling Reaction for the Synthesis of Bispyridine-based Ligands and Their Complexation to Platinum as Dinuclear Anticancer Agents

Published on: May 28, 2014

14.2K

Related Experiment Videos

Last Updated: Nov 17, 2025

Thermochemical Studies of NiII and ZnII Ternary Complexes Using Ion Mobility-Mass Spectrometry
16:11

Thermochemical Studies of NiII and ZnII Ternary Complexes Using Ion Mobility-Mass Spectrometry

Published on: June 8, 2022

2.5K
Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
14:44

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR

Published on: December 16, 2013

9.8K
Amide Coupling Reaction for the Synthesis of Bispyridine-based Ligands and Their Complexation to Platinum as Dinuclear Anticancer Agents
07:20

Amide Coupling Reaction for the Synthesis of Bispyridine-based Ligands and Their Complexation to Platinum as Dinuclear Anticancer Agents

Published on: May 28, 2014

14.2K

Area of Science:

  • Inorganic Chemistry
  • Computational Chemistry
  • Quantum Chemistry

Background:

  • Early actinide elements exhibit unique electronic properties due to their f-electrons.
  • Noble gases were traditionally considered inert, but recent studies show complex formation is possible.
  • Understanding bonding in actinide-noble gas systems is crucial for predicting their chemical behavior.

Purpose of the Study:

  • To computationally investigate the geometries, electronic structures, and bonding of early actinide-noble gas complexes.
  • To determine the maximum coordination numbers for actinide ions with helium.
  • To analyze trends in binding energies, charge transfer, and covalency across the actinide series.

Main Methods:

  • Density Functional Theory (DFT) calculations.
  • Wavefunction theory methods.
  • Ab initio molecular dynamics simulations.
  • Interacting Quantum Atoms (IQA) approach.
  • MP2 calculations.

Main Results:

  • Actinium helium (AcHe)183+ confirmed as an 18-coordinate system, a record for Th4+ and Th3+.
  • Maximum coordination numbers of 17 observed for Pa and U complexes (PaHe175+, UHe176+).
  • Average An-He binding energy and He → Anq+ charge transfer increase across the series (Ac to U).
  • Covalency increases from AcHe173+ to UHe176+, indicated by Vxc and delocalization indices.
  • Heavier noble gas complexes (Ar-Xe) with Ac3+ form 12-coordinate "cage" structures with enhanced charge transfer and covalency.

Conclusions:

  • Early actinide-noble gas complexes display exceptionally high coordination numbers and significant covalency.
  • Charge transfer and bonding strength correlate with actinide identity and noble gas properties.
  • These findings challenge traditional views of noble gas inertness and expand the known chemistry of actinides.