乱れたゲストフレームの相互作用が金属有機フレームの結晶学に与える影響
Seungkyu Lee1, Hans-Beat Bürgi2,3, Sultan A Alshmimri4
1Department of Chemistry , University of California-Berkeley ; Materials Sciences Division, Lawrence Berkeley National Laboratory; Kavli Energy NanoSciences Institute at Berkeley; and Berkeley Global Science Institute, Berkeley , California 94720 , United States.
Journal of the American Chemical Society
|June 26, 2018
まとめ
冷凍温度では,多孔金属有機フレームワーク (MOF) の高解像度データが必ずしも得られません. いくつかのMOFの最適なデータは,ゲストフレーム障害が減少したため,より高い温度で達成されます.
科学分野:
- 材料科学
- クリスタルグラフィー
- 化学について
背景:
- 単結晶X線 difraktion (SCXRD) は,通常,高解像度データのために冷凍温度で実行されます.
- メタル・オーガニック・フレームワーク (MOF) などの多孔性の高い材料は,異なる温度条件下でユニークな振る舞いを表す可能性があります.
研究 の 目的:
- 高孔性のMOFのSCXRDデータ品質に対する温度の影響を調査する.
- 低温データ収集の慣行がMOFに普遍的に適用されるかどうかを判断する.
主な方法:
- SCXRD実験は,新しいMOF (MOF-1004,MOF-1005) と確立されたMOF (MOF-177,UIO-67) で,異なる温度 (100Kと290K) で実施された.
- 各温度点における屈折データ品質と構造溶液の分析
主要な成果:
- 低温 (100 K) のデータ収集は,MOF-1004とMOF-1005の構造溶液に不十分な品質をもたらしました.
- 高温 (290 K) のデータ収集は,MOF-1004とMOF-1005の原子解像度データを提供し,構造溶液を可能にしました.
- この逆の温度行動は,MOF-177とUIO-67でも観察された.
結論:
- 低温での不規則なゲストフレームワークの相互作用は,高解像度データ収集を阻害する.
- 高温でのゲストフレームの相互作用の減少は,乱れを軽減し,屈折データ品質の改善につながります.
- 発見は,高温データ収集が,特定の高孔性のMOFと,乱れた分子を持つ結晶の高解像度構造を得るのに必要であることを示唆している.
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