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Crystal Field Theory - Octahedral Complexes02:58

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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...
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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...
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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,...
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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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Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
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Metallic Solids02:37

Metallic Solids

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Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
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Updated: Jan 10, 2026

Hyperspectral Imaging as a Tool to Study Optical Anisotropy in Lanthanide-Based Molecular Single Crystals
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Pressure-Induced Three- to Two-Dimensional Structural Transition in Light Lanthanide Trichlorides.

Fenghua Ding1,2, Qian Wang1, Danilo Puggioni3

  • 1School of Metallurgy and Environment, Central South University, Changsha 410083, PR China.

Inorganic Chemistry
|November 24, 2025
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Summary
This summary is machine-generated.

High pressure transforms rare-earth chlorides into 2D layered structures. This synthesis yields novel materials with potential applications in functional van der Waals-type devices.

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Area of Science:

  • Solid-state chemistry
  • Materials science
  • Crystallography

Background:

  • Rare-earth chlorides commonly form 3D UCl3-type structures with 9-fold lanthanide coordination.
  • Understanding structural transitions under pressure is crucial for materials design.

Purpose of the Study:

  • To synthesize and characterize high-pressure polymorphs of rare-earth chlorides.
  • To investigate the structural changes and coordination number shifts in LnCl3 under high pressure.

Main Methods:

  • High-pressure synthesis at 5 GPa and 1000 °C.
  • Structural characterization of synthesized materials.
  • Density functional theory (DFT) calculations to rationalize observed behavior.

Main Results:

  • Rare-earth chlorides (La, Ce, Pr, Nd, Gd, Y) were synthesized in the 2D NdBr3-type structure (Cmcm).
  • YCl3 transitions from CN=6 to CN=8 under pressure.
  • La-Gd trichlorides exhibit an unexpected CN reduction from 9 to 8, explained by bond shortening and packing density.

Conclusions:

  • High pressure stabilizes recoverable 2D polymorphs of rare-earth chlorides.
  • This expands the known NdBr3-type structures and offers routes to new functional materials.