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関連する概念動画

Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

31.2K
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...
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Molecular Models02:00

Molecular Models

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Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
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Network Covalent Solids02:18

Network Covalent Solids

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Network covalent solids contain a three-dimensional network of covalently bonded atoms as found in the crystal structures of nonmetals like diamond, graphite, silicon, and some covalent compounds, such as silicon dioxide (sand) and silicon carbide (carborundum, the abrasive on sandpaper). Many minerals have networks of covalent bonds.
To break or to melt a covalent network solid, covalent bonds must be broken. Because covalent bonds are relatively strong, covalent network solids are typically...
16.3K
Polymer Classification: Crystallinity01:21

Polymer Classification: Crystallinity

4.1K
Unlike ionic or small covalent molecules, polymers do not form crystalline solids due to the diffusion limitations of their long-chain structures. However, polymers contain microscopic crystalline domains separated by amorphous domains.
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...
4.1K
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

48.9K
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,...
48.9K
Crystal Growth: Principles of Crystallization01:25

Crystal Growth: Principles of Crystallization

5.3K
Crystallization is a phase transformation process in which crystals are precipitated from a supersaturated solution or formed from other sources. During crystallization, atoms or molecules arrange themselves into a well-defined, rigid crystal lattice to minimize energy.
Initiating crystallization involves manipulating the concentration of the solute and the temperature of the solution. Since crystal growth occurs when the ratio of concentration and solubility of the solute in the solvent...
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Updated: Feb 24, 2026

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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大規模言語モデルを用いた高結晶性共有有機構造体（COF）の合成

Kaiyu Wang1,2,3, Daehyun Daniel Ahn1,2,3, Nakul Rampal1,2,3

  • 1Department of Chemistry, University of California, Berkeley, California 94720, United States.

Journal of the American Chemical Society
|February 23, 2026
PubMed
まとめ
この要約は機械生成です。

AI駆動型アプローチにより、共有有機構造体（COF）の結晶化を加速することが可能になりました。LLM For Accelerated Synthesis Technique（LFAST）と名付けられたこの方法は、合成時間を数年から1ヶ月未満に短縮します。

キーワード:
大規模言語モデル共有有機構造体結晶化材料科学AI

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Synthesis and Characterization of Functionalized Metal-organic Frameworks
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関連する実験動画

Last Updated: Feb 24, 2026

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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Synthesis and Characterization of Functionalized Metal-organic Frameworks
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科学分野:

  • 材料科学
  • 化学
  • 人工知能

背景:

  • 共有有機構造体（COF）の結晶化は、網目化学にとって重要ですが、多くの場合、広範な最適化が必要です。
  • COFにおける長距離秩序の達成には、通常、数ヶ月から数年にわたる試行錯誤のプロセスが含まれます。

研究 の 目的:

  • 共有有機構造体（COF）の結晶化プロセスを大幅に加速すること。
  • COF合成に必要な時間を短縮し、構造的秩序を改善すること。

主な方法:

  • ChatGPT内にディープリサーチエージェントを統合し、LLM For Accelerated Synthesis Technique（LFAST）を形成しました。
  • 化学文献から合成パラメータを採掘および検証するための構造化された多段階プロンプトを利用しました。
  • 条件の実行と分析のために、ハイスループット粉末X線回折（PXRD）を備えた自動合成プラットフォームを採用しました。

主要な成果:

  • ベンチマークCOF、TpPa-SO3Hの結晶化度指数（CI）を350%向上させました。
  • 構造的秩序が向上した未報告のCOF-2000を合成しました。
  • COFの結晶化期間を1ヶ月未満に短縮しました。

結論:

  • LFAST法は、COFの結晶化を劇的に加速し、材料の品質を向上させます。
  • 再現性とデータアクセシビリティを向上させるための標準化されたメタデータ形式を導入しました。
  • このデータ駆動型アプローチは、COF合成を変革し、材料発見を加速します。