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関連する概念動画

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....
18.2K

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関連する実験動画

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
08:42

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

Published on: July 10, 2017

13.3K

電子結晶学とコンピューティングインテリジェンスを使用して共性有機枠構造を決定する

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
まとめ
この要約は機械生成です。

共同的有機構造 (COF) の構造を決定することは困難です. 電子結晶学と計算知能を組み合わせた新しいCOF+方法は,COFの構造を正確に解き,新しい候補を発見します.

さらに関連する動画

Synthesis of Single-Crystalline Core-Shell Metal-Organic Frameworks
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Synthesis of Single-Crystalline Core-Shell Metal-Organic Frameworks

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Author Spotlight: Accelerating Discovery in Microporous Material Chemistry
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Author Spotlight: Accelerating Discovery in Microporous Material Chemistry

Published on: October 6, 2023

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関連する実験動画

Last 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
08:42

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

Published on: July 10, 2017

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Synthesis of Single-Crystalline Core-Shell Metal-Organic Frameworks
05:26

Synthesis of Single-Crystalline Core-Shell Metal-Organic Frameworks

Published on: February 10, 2023

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Author Spotlight: Accelerating Discovery in Microporous Material Chemistry
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Author Spotlight: Accelerating Discovery in Microporous Material Chemistry

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科学分野:

  • 材料科学
  • クリスタルグラフィー
  • コンピュータ化学

背景:

  • 新しい材料,特に共性有機フレームワーク (COF) の構造的特徴付けは,単一結晶の取得が困難であるため,困難です.
  • COFの原子構造を理解することは,構造-機能関係と物質特性を相関させる上で極めて重要です.

研究 の 目的:

  • 協和有機フレームワーク (COF) の構造を決定するための新しい計算アプローチを提示する.
  • COFの構造分析の既存の方法の限界を克服する.

主な方法:

  • COF+と呼ばれる電子結晶学の統合.
  • 確立された化学原理に基づく試験COF構造を生成するための粒子群最適化 (PSO) の適用.

主要な成果:

  • 4つの異なるCOFでCOF+アプローチを成功裏に実施し,正確性と有効性を実証しました.
  • 新しい,化学的に実現可能なCOF構造候補の特定,新しいトポロジーと相互浸透パターン.

結論:

  • COF+メソッドは,COFの構造的決定の分野を大幅に進めている.
  • このアプローチは,新しいCOFの構造,特性,およびアプリケーションの探索を可能にします.