サイドチェーンと格子ダイナミクス工学によるオーガニック結晶のオンデマンドポリモルフィックトランジションへ
Luca Catalano1,2,3, Rituraj Sharma4,5, Durga Prasad Karothu6
1Laboratoire de Chimie des Polymères, Université Libre de Bruxelles (ULB), 1050 Brussels, Belgium.
Journal of the American Chemical Society
|November 8, 2024
まとめ
研究者はポリモルフィズムを制御するために特定のナノスケール運動を持つ有機結晶を設計し,予測可能な固体から固体への相変化を達成しました. この戦略により,信頼性の高い製造のために,ダイナミクスに合わせた結晶材料の設計が可能になります.
科学分野:
- 材料科学
- 固体化学
- クリスタルグラフィー
背景:
- ポリモルフィズム (複数の結晶形) を制御することは,結晶型機能材料の製造に不可欠である.
- 既存の方法は,望ましい結晶構造を確実に生成する上で困難に直面しています.
研究 の 目的:
- 有機結晶の多形性を制御するための戦略を考案し,実証する.
- 特定の分子の動きを持つ 結晶を設計して 協力的な相変化を 誘導する
主な方法:
- 13個の有機結晶を 合成した
- 偏光光学顕微鏡,微分スキャニング熱計,X線微分,低周波ラーマン光譜を用いた.
- 密度関数理論と分子動力学の計算を行った.
主要な成果:
- 全ての結晶系における 協同的な秩序-乱雑相移行が確認された.
- 固体から固体への変換における分子構造と格子ダイナミクスの重要な役割を示した.
- ナノスケールの分子運動とマクロスケールの物質特性との関連を確立した.
結論:
- 多形分子結晶材料を設計するための効率的な戦略を開発した.
- 設計された分子ダイナミクスが 結晶相変換を制御する方法を示した.
- 予測可能な特性を有する 機能的な材料を作るための 新しい道を開きました
関連する概念動画
Polymer Classification: Crystallinity
2.8K
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...
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...
2.8K
Ziegler–Natta Chain-Growth Polymerization: Overview
3.2K
Ziegler–Natta polymerization is another form of addition or chain‐growth polymerization used for synthesizing linear polymers over branched polymers. The catalyst used for polymerization is the Ziegler–Natta catalyst, named after Karl Ziegler and Giulio Natta, who developed it in 1953. This catalyst is an organometallic complex of titanium tetrachloride and triethyl aluminum, with the active form of the catalyst being an alkyl titanium compound. Using the Ziegler–Natta...
3.2K
Cooperative Allosteric Transitions
7.9K
Cooperative allosteric transitions can occur in multimeric proteins, where each subunit of the protein has its own ligand-binding site. When a ligand binds to any of these subunits, it triggers a conformational change that affects the binding sites in the other subunits; this can change the affinity of the other sites for their respective ligands. The ability of the protein to change the shape of its binding site is attributed to the presence of a mix of flexible and stable segments in the...
7.9K
Polymer Classification: Stereospecificity
2.4K
Polymerization generates chiral centers along the entire backbone of a polymer chain. Accordingly, the stereochemistry of the substituent group has a significant effect on polymer properties. Polymers formed from monosubstituted alkene monomers feature chiral carbons at every alternate position in the polymer backbone. Relative to the predominant orientation of substituents at the adjacent chiral carbons, the polymer can exist in three different configurations: isotactic, syndiotactic, and...
2.4K
Cationic Chain-Growth Polymerization: Mechanism
2.3K
The cationic polymerization mechanism consists of three steps: initiation, propagation, and termination. In the initiation step of the polymerization process, the π bond of a monomer gets protonated by the Lewis acid catalyst, which is formed from boron trifluoride and water. The protonation of the π bond generates a carbocation stabilized by the electron‐donating group. In the propagation step, the π bond of the second monomer acts as a nucleophile and attacks the...
2.3K
Radical Chain-Growth Polymerization: Mechanism
2.5K
The radical chain-growth polymerization mechanism consists of three steps: initiation, propagation, and termination of polymerization. The polymerization initiates when a free radical generated from the radical initiator adds to the unsaturated bond in the monomer. The unpaired electron of the free radical and one π electron in the unsaturated bond creates a σ bond between the free radical and the monomer. As a result, the other π electron in the unsaturated bond converts this...
2.5K


