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Related Concept Videos

Properties of Transition Metals02:58

Properties of Transition Metals

27.8K
Transition metals are defined as those elements that have partially filled d orbitals. As shown in Figure 1, the d-block elements in groups 3–12 are transition elements. The f-block elements, also called inner transition metals (the lanthanides and actinides), also meet this criterion because the d orbital is partially occupied before the f orbitals.
27.8K
Periodic Classification of the Elements04:00

Periodic Classification of the Elements

53.1K
The periodic table arranges atoms based on increasing atomic number so that elements with the same chemical properties recur periodically. When their electron configurations are added to the table, a periodic recurrence of similar electron configurations in the outer shells of these elements is observed. Because they are in the outer shells of an atom, valence electrons play the most important role in chemical reactions. The outer electrons have the highest energy of the electrons in an atom...
53.1K
Valence Bond Theory02:42

Valence Bond Theory

9.9K
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...
9.9K
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

28.5K
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...
28.5K
Electron Configurations02:46

Electron Configurations

21.7K
Electron configurations and orbital diagrams can be determined by applying the Aufbau principle (each added electron occupies the subshell of lowest energy available), Pauli exclusion principle (no two electrons can have the same set of four quantum numbers), and Hund’s rule of maximum multiplicity (whenever possible, electrons retain unpaired spins in degenerate orbitals).
The relative energies of the subshells determine the order in which atomic orbitals are filled (1s, 2s, 2p, 3s, 3p,...
21.7K
Coordination Number and Geometry02:57

Coordination Number and Geometry

17.1K
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.
17.1K

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Related Experiment Video

Updated: Oct 21, 2025

Accessing Valuable Ligand Supports for Transition Metals: A Modified, Intermediate Scale Preparation of 1,2,3,4,5-Pentamethylcyclopentadiene
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Accessing Valuable Ligand Supports for Transition Metals: A Modified, Intermediate Scale Preparation of 1,2,3,4,5-Pentamethylcyclopentadiene

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Principles Determining the Structure of Transition Metals.

Samuel K Riddle1,2, Timothy R Wilson1,2, Malavikha Rajivmoorthy1,3

  • 1Molecular Theory Group, Colorado School of Mines, Golden, CO 80401, USA.

Molecules (Basel, Switzerland)
|September 10, 2021
PubMed
Summary

Researchers explain transition metal crystallography using electron density analysis. Early transition metals exhibit hexagonal close packed and body centered cubic structures due to charge transfer, while late transition metals show face centered cubic structures from anti-bonding interactions.

Keywords:
frontier orbital theoryquantum theory of atoms in moleculestransition metal structureviral theorem

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Area of Science:

  • Solid-state chemistry
  • Materials science
  • Quantum chemistry

Background:

  • For nearly a century, explaining the crystallography of elemental transition metals has been a challenge.
  • Previous attempts were limited by incomplete understanding of metallic electron density.
  • Linus Pauling's early efforts to explain transition metal stability met with limited success.

Purpose of the Study:

  • To comprehensively describe transition metal electron density using modern analysis techniques.
  • To elucidate the origins of different transition metal crystal structures (hexagonal close packed, body centered cubic, face centered cubic).
  • To link crystallographic structures to specific electronic interactions.

Main Methods:

  • Advanced electron density analysis.
  • Topological partitioning of electron density.
  • Quantum mechanically rigorous treatments of kinetic energy.

Main Results:

  • Detailed description of transition metal electron density.
  • Identification of charge transfer from octahedral to tetrahedral cages in early transition metals.
  • Correlation of face centered cubic structures in late transition metals with anti-bonding interactions affecting octahedral hole kinetic energy.

Conclusions:

  • The crystallography of early transition metals arises from charge transfer dynamics.
  • The face centered cubic structure of late transition metals is explained by anti-bonding interactions.
  • Modern electron density analysis provides a rigorous framework for understanding metallic bonding and crystallography.