カーボキシラートMOFにおけるソフトモード金属結合器のダイナミクスは,可変温度赤外線光譜で証明されている
Anastasia B Andreeva1, Khoa N Le1, Lihaokun Chen1
1Department of Chemistry and Biochemistry, Materials Science Institute, University of Oregon, Eugene, Oregon 97403-1253, United States.
Journal of the American Chemical Society
|October 29, 2020
まとめ
メタル・オーガニック・フレームワーク (MOF) はダイナミックなメタル・リンカー結合を示し,静的な知覚に挑戦します. 振動によるこのダイナミックな結合は MOFの設計に新しい洞察をもたらします
科学分野:
- 材料科学
- 化学について
- 固体物理学
背景:
- メタル・オーガニック・フレームワーク (MOF) は,通常,静的なメタル・リンカー・ボンドを持っていると考えられる.
- MOFの構造的ダイナミクスは通常,毛穴の"呼吸"またはゲスト分子の相互作用を指します.
- MOFのダイナミック結合は,触媒,負の熱膨張,結晶の成長のような重要な現象を説明することができます.
研究 の 目的:
- カーボキシラートベースのMOFにおける静的結合の知覚に挑戦する.
- ゼオリティイイミダゾラートフレームワーク (ZIF) に類似したカーボキシラートMOFの可逆性金属結合を証明する.
- 次世代の金属有機材料の設計に 新しい視点を提供するためです
主な方法:
- カーボキシラートベースのMOFの総合的な分析
- 温度変数分散反射赤外線フーリエ変換スペクトロスコピー (VT-DRIFTS)
- アブ・イニシオ平面波密度関数理論の計算
主要な成果:
- カーボキシラートMOFの可逆性金属結合の証拠が観察されました.
- このダイナミックな結合は,ZIFの融解に類似した特定の振動モードによって引き起こされます.
- カーボキシラート・ストレッチとアンハーモニック・オシレータの赤色シフトは ダイナミック・ボンドを示す.
結論:
- カーボキシラートMOFの金属結合結合は静的ではなく,動的である.
- これらのダイナミクスは 振動によって動きます 他の材料の柔らかいモードと似ています
- これらのダイナミクスを理解すると,特異な性質を持つ高度なMOFを設計するための新しい道が開きます.
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