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相关概念视频

Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

26.2K
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...
26.2K
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

41.5K
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,...
41.5K
X-ray Crystallography02:18

X-ray Crystallography

23.8K
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...
23.8K
Structures of Solids02:22

Structures of Solids

14.0K
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...
14.0K
Ionic Crystal Structures02:42

Ionic Crystal Structures

14.1K
Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
14.1K
Metallic Solids02:37

Metallic Solids

18.2K
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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Updated: Jun 6, 2025

Microfluidic-based Synthesis of Covalent Organic Frameworks COFs: A Tool for Continuous Production of COF Fibers and Direct Printing on a Surface
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Microfluidic-based Synthesis of Covalent Organic Frameworks COFs: A Tool for Continuous Production of COF Fibers and Direct Printing on a Surface

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使用电子晶体学和计算智能确定共价有机框架结构

Xiangyu Zhang1, Junyi Hu1, Huiyu Liu1

  • 1School of Physical Science and Technology & Shanghai Key Laboratory of High-Resolution Electron Microscopy, ShanghaiTech University, Shanghai 201210, China.

Journal of the American Chemical Society
|December 2, 2024
PubMed
概括
此摘要是机器生成的。

确定共价有机框架 (COF) 结构是一项挑战. 结合电子结晶学和计算智能的新COF+方法准确地解决了COF结构并发现了新候选物.

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Microfluidic-based Synthesis of Covalent Organic Frameworks COFs: A Tool for Continuous Production of COF Fibers and Direct Printing on a Surface
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Microfluidic-based Synthesis of Covalent Organic Frameworks COFs: A Tool for Continuous Production of COF Fibers and Direct Printing on a Surface

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科学领域:

  • 材料科学
  • 晶体学
  • 计算化学

背景情况:

  • 由于难以获得单晶,对新材料,特别是共价有机框架 (COF) 的结构性表征具有挑战性.
  • 了解COF的原子结构对于关联结构-功能关系和材料特性至关重要.

研究的目的:

  • 提出一种新的计算方法来确定共价有机框架 (COF) 的结构.
  • 克服现有的COF结构分析方法的局限性.

主要方法:

  • 电子晶体学与计算智能的整合,称为COF+.
  • 应用粒子群优化 (PSO) 以建立基于已确定的化学原理的试验COF结构.

主要成果:

  • 在四个不同的COF中成功实施COF+方法,证明了准确性和有效性.
  • 识别具有新型拓和相互透模式的新型化学可行的COF结构候选物.

结论:

  • COF+ 方法在 COF 的结构确定方面取得了显著的进步.
  • 这种方法可以探索新的COF结构,特性和应用.