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相关概念视频

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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X-ray Crystallography02:18

X-ray Crystallography

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The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
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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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Indicators02:39

Indicators

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Certain organic substances change color in dilute solution when the hydronium ion concentration reaches a particular value. For example, phenolphthalein is a colorless substance in any aqueous solution with a hydronium ion concentration greater than 5.0 × 10−9 M (pH < 8.3). In more basic solutions where the hydronium ion concentration is less than 5.0 × 10−9 M (pH > 8.3), it is red or pink. Substances such as phenolphthalein, which can be used to determine the pH of a solution, are...
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X-ray Diffraction of Biological Samples01:10

X-ray Diffraction of Biological Samples

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X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are  scattered by the electron clouds around the sample atoms. The  X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal...
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Phase Diagram01:19

Phase Diagram

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The phase of a given substance depends on the pressure and temperature. Thus, plots of pressure versus temperature showing the phase in each region provide considerable insights into the thermal properties of substances. Such plots are known as phase diagrams. For instance, in the phase diagram for water (Figure 1), the solid curve boundaries between the phases indicate phase transitions (i.e., temperatures and pressures at which the phases coexist).
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相关实验视频

Updated: Jan 10, 2026

In situ Grazing Incidence Small Angle X-ray Scattering on Roll-To-Roll Coating of Organic Solar Cells with Laboratory X-ray Instrumentation
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In situ Grazing Incidence Small Angle X-ray Scattering on Roll-To-Roll Coating of Organic Solar Cells with Laboratory X-ray Instrumentation

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在InPd3-xAgx (x = 0-0.7) 中通过相图建模和衍射实验解决"色彩问题".

Nilanjan Roy1,2, Sandip K Kuila1, Jin Li2

  • 1Department of Chemistry, IIT Kharagpur, Kharagpur, WB 721302, India.

Inorganic chemistry
|November 21, 2025
PubMed
概括

这项研究合成了InPd3-xAgx合金,在TiAl3型结构中找到白银 (Ag) 替代物 (Pd),直到x=0.7.7. 先进的衍射和建模解决了这些--银材料的结构挑战.

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科学领域:

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

背景情况:

  • 在InPd3-xAgx系统呈现结构特征的挑战,由于类似的X射线散射因子的 (In), (Pd) 和银 (Ag).
  • 几乎相同的中子散射长度的Pd和Ag在衍射研究中使差异化变得复杂,称为"色彩问题".

研究的目的:

  • 为了合成和描述InPd3-xAgx (x = 0-1) 合金组合物.
  • 为了克服阻碍准确结构确定的"染色问题".
  • 在InPd3结构中阐明Ag替代的位置偏好.

主要方法:

  • 传统的高温合成.
  • 粉末X射线衍射 (XRD) 和中子衍射.
  • 阶段图的计算 (CALPHAD) 建模.
  • 收费群体分析和电子结构计算.

主要成果:

  • 在Pd3-xAgx中采用了TiAl3型结构,直到x = 0.7,Ag选择性地替换了Pd的2b Wyckoff位.
  • 在x>0.7.7时发生元素Ag分离.
  • 与InPd3-xCux系统不同,Ag替代不会导致有序的VRh2Sn型结构.

结论:

  • 该研究成功地使用联合衍射和CALPHAD方法对InPd3-xAgx系统进行了表征.
  • 在TiAl3型结构中,Ag表现出特定的位置偏好,与Cu替代不同.
  • 电子结构和结合分析解释了观察到的位置偏好和替代极限.