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Properties of Transition Metals02:58

Properties of Transition Metals

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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.
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Hypersensitivities01:30

Hypersensitivities

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Hypersensitivity, also known as a hypersensitivity reaction or allergic reaction, is a condition where the body's immune system reacts abnormally to a foreign substance. Such substances, that cause hypersensitivity are referred to as an allergen, could be something typically harmless to most people, like pollen or certain foods.
Types of Hypersensitivities
Hypersensitivity reactions are categorized into four types: Type 1, Type 2, Type 3, and Type 4. Each type has a distinct mechanism...
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Phase Transitions02:31

Phase Transitions

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Whether solid, liquid, or gas, a substance's state depends on the order and arrangement of its particles (atoms, molecules, or ions). Particles in the solid pack closely together, generally in a pattern. The particles vibrate about their fixed positions but do not move or squeeze past their neighbors. In liquids, although the particles are closely spaced, they are randomly arranged. The position of the particles are not fixed—that is, they are free to move past their neighbors to...
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Cooperative Allosteric Transitions01:58

Cooperative Allosteric Transitions

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Cooperative allosteric transitions can occur in multimeric proteins, where each subunit of the protein has its own ligand-binding site. When a ligand binds to any of these subunits, it triggers a conformational change that affects the binding sites in the other subunits; this can change the affinity of the other sites for their respective ligands. The ability of the protein to change the shape of its binding site is attributed to the presence of a mix of flexible and stable segments in the...
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Phase Transitions: Vaporization and Condensation02:39

Phase Transitions: Vaporization and Condensation

21.0K
The physical form of a substance changes on changing its temperature. For example, raising the temperature of a liquid causes the liquid to vaporize (convert into vapor). The process is called vaporization—a surface phenomenon. Vaporization occurs when the thermal motion of the molecules overcome the intermolecular forces, and the molecules (at the surface) escape into the gaseous state. When a liquid vaporizes in a closed container, gas molecules cannot escape. As these gas phase molecules...
21.0K
Phase Transitions: Sublimation and Deposition02:33

Phase Transitions: Sublimation and Deposition

20.0K
Some solids can transition directly into the gaseous state, bypassing the liquid state, via a process known as sublimation. At room temperature and standard pressure, a piece of dry ice (solid CO2) sublimes, appearing to gradually disappear without ever forming any liquid. Snow and ice sublimate at temperatures below the melting point of water, a slow process that may be accelerated by winds and the reduced atmospheric pressures at high altitudes. When solid iodine is warmed, the solid sublimes...
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Related Experiment Video

Updated: Jan 29, 2026

Preparation, Purification, and Characterization of Lanthanide Complexes for Use as Contrast Agents for Magnetic Resonance Imaging
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Preparation, Purification, and Characterization of Lanthanide Complexes for Use as Contrast Agents for Magnetic Resonance Imaging

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Hypersensitive f-f Transition Intensities of Lanthanide Trihalide Complexes.

Hélène Bolvin1, Marion Luu1, Jean-Claude Bünzli2

  • 1Laboratoire de Chimie et Physique Quantiques, CNRS, Université Toulouse, 118 Route de Narbonne, Toulouse 31062, France.

Inorganic Chemistry
|January 27, 2026
PubMed
Summary

This study introduces a computational method to accurately predict lanthanide complex absorption spectra. The approach accurately models hypersensitive transitions, crucial for understanding ligand interactions in lanthanide chemistry.

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Area of Science:

  • * Computational Chemistry
  • * Spectroscopy
  • * Inorganic Chemistry

Background:

  • * Lanthanide complexes exhibit hypersensitive transitions sensitive to ligand environments.
  • * Accurate prediction of absorption spectra is vital for materials science and chemical applications.
  • * Existing methods may not fully capture the complex interplay of electronic and ligand effects.

Purpose of the Study:

  • * To calculate and analyze the absorption spectra of lanthanide trihalide complexes.
  • * To validate a multiconfigurational spin-orbit configuration interaction with second-order perturbation theory (SO-CIS(PT2)) method.
  • * To investigate the influence of ligands on hypersensitive transitions and Judd-Ofelt parameters.

Main Methods:

  • * Employed the multiconfigurational SO-CIS(PT2) method for spectral calculations.
  • * Accounted for spin-orbit coupling, dynamic electron correlation, and ligand-metal interactions.
  • * Derived Judd-Ofelt parameters from spin-free manifolds to analyze transition properties.

Main Results:

  • * Calculated spectra showed good agreement with experimental data for transition energies and intensities.
  • * Hypersensitive transitions were identified, primarily those with ΔL = -2.
  • * Judd-Ofelt parameters exhibited predictable trends across the lanthanide and halide series.

Conclusions:

  • * The SO-CIS(PT2) method is a reliable tool for predicting lanthanide complex absorption spectra from first principles.
  • * The dynamic coupling model provides a microscopic understanding of spectral properties.
  • * Findings facilitate the design of lanthanide complexes with tailored optical properties.