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Newman Projections02:06

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Different notations are used to represent the three-dimensional structure of molecules on two-dimensional surfaces. One of the most commonly used representations is the dash-wedge formula. The dashed wedges, solid wedges, and the plane lines indicate the groups situated behind the plane, coming out of the plane, and in the plane, respectively.
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The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
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Hydrogen bonds are weak attractions between atoms that have formed other chemical bonds. One of these atoms is electronegative, like oxygen, and has a partial negative charge. The other is a hydrogen atom that has bonded with another electronegative atom and has a partial positive charge.
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A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
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関連する実験動画

Updated: Dec 17, 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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拡張可能な水素結合の有機構造体で,三次元の電子微分によって特徴づけられる

Peng Cui1, Erik Svensson Grape2, Peter R Spackman3,4

  • 1Department of Chemistry and Materials Innovation Factory, University of Liverpool, Liverpool L7 3NY, U.K.

Journal of the American Chemical Society
|June 30, 2020
PubMed
まとめ

新しい水素結合有機構造 (HOF) は,柔軟な分子構成の変化により,活性化時に膨張します. このダイナミックな多孔質物質は 負の熱膨張を示し 材料科学に新たな可能性を秘めています

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科学分野:

  • 材料科学
  • クリスタルグラフィー
  • 超分子化学

背景:

  • 水素結合有機フレームワーク (HOF) は,調節可能な多孔性を持つ結晶材料です.
  • 溶媒の除去などの活性化プロセスは,HOFの構造的変化を引き起こす可能性があります.
  • これらの変換を理解することは 機能的な多孔性材料の設計に不可欠です

研究 の 目的:

  • 溶媒の除去時に2次元HOFの構造変化を調査する.
  • フレームワークの拡大における分子構成の役割を解明する.
  • 活性化されたHOFの多孔性と熱膨張特性を特徴付ける.

主な方法:

  • 溶媒の除去とHOF結晶の活性化
  • 構造分析のための3次元電子 difraktion (3D ED).
  • ブルーナー・エメット・テラー (BET) 表面積解析
  • エネルギー評価のための結晶構造予測 (CSP)

主要な成果:

  • HOF,ABTPA-2は,起動時にフレームワークの拡張を受けます.
  • 柔軟なABTPA分子は,アントラセンの単位をアンカーとして使用し,形状に適応します.
  • 活性化相は高表面積 (1183 m^2 g^-1) と負面面積の熱膨張を示している.
  • CSPは変革を牽引するエネルギーに関する洞察を提供した.

結論:

  • 分子構造の柔軟性は,このHOFで観察されたフレームワークの拡大の鍵です.
  • 活性化されたABTPA-2物質は ダイナミックな多孔性と異常な負の熱膨張を示しています
  • 柔軟なシステムにおけるCSPの課題と可能性が強調されました.