Guest-dependent bond flexibility in UiO-66, a “stable” MOF,Chemical Communications

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Guest-dependent bond flexibility in UiO-66, a “stable” MOF
Chemical Communications ( IF 4.3 ) Pub Date : 2023-01-13 , DOI: 10.1039/d2cc05895b
Kevin Fabrizio ₁ , Anastasia B Andreeva ₁ , Kentaro Kadota ₁ , Amanda J Morris ₂ , Carl K Brozek ₁

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We report “flexibility constants”—a conceptual analog to metal–ligand stability constants—of UiO-66, the prototypical “stable” MOF, across a wide temperature range in both vacuum and in the presence of typical guest solvents. With these data, we extract key thermodynamic parameters governing the reversible bond equilibrium and demonstrate that guest molecules strongly favor the reversible dissociation of MOF metal–linker bonds.

中文翻译：

UiO-66 中依赖客体的键灵活性，一种“稳定”的 MOF

我们报告了 UiO-66（原型“稳定”MOF）在真空和典型客体溶剂存在下的宽温度范围内的“柔性常数”——金属-配体稳定性常数的概念模拟。利用这些数据，我们提取了控制可逆键平衡的关键热力学参数，并证明客体分子强烈支持 MOF 金属-连接键的可逆解离。

更新日期：2023-01-13

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