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Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

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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...
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Colors and Magnetism03:02

Colors and Magnetism

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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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Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

48.0K
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,...
48.0K
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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Structures of Solids02:22

Structures of Solids

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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.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
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Hyperspectral Imaging as a Tool to Study Optical Anisotropy in Lanthanide-Based Molecular Single Crystals
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压力诱导的三维到二维结构转换在轻三化物中.

Fenghua Ding1,2, Qian Wang1, Danilo Puggioni3

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

Inorganic chemistry
|November 24, 2025
PubMed
概括

高压将稀土化物转化为二维分层结构. 这种合成产生了新材料,在功能性范德瓦尔斯型设备中具有潜在的应用.

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科学领域:

  • 固态化学 固态化学
  • 材料科学是一种材料科学.
  • 晶体学 晶体学是指结晶学.

背景情况:

  • 稀土化物通常形成3D UCl3型结构,具有9倍的化物协调.
  • 了解压力下的结构转变对于材料设计至关重要.

研究的目的:

  • 合成和描述稀土化物的高压多态.
  • 为了研究高压下LnCl3的结构变化和协调数位变化.

主要方法:

  • 在5GPa和1000°C的高压合成.
  • 合成材料的结构特征.
  • 密度函数理论 (DFT) 计算以合理化观察到的行为.

主要成果:

  • 稀土化物 (La,Ce,Pr,Nd,Gd,Y) 在2D NdBr3型结构 (Cmcm) 中进行合成.
  • 在压力下,YCl3从CN=6过渡到CN=8.
  • 拉-Gd三化物呈现出意想不到的CN减少,从9降至8,这是由于结合缩短和包装密度造成的.

结论:

  • 高压稳定了稀土化物可回收的二维多态.
  • 这扩展了已知的NdBr3型结构,并为新的功能材料提供了途径.