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|Title:||Crystal Dynamics in Multi-stimuli-Responsive Entangled Metal-Organic Frameworks|
Reddy, Sandeep K.
Maji, Tapas Kumar
selective gas adsorption
Porous Coordination Polymer
Selective Co2 Uptake
|Publisher:||Wiley-V C H Verlag Gmbh|
|Citation:||Kanoo, P.; Haldar, R.; Reddy, S. K.; Hazra, A.; Bonakala, S.; Matsuda, R.; Kitagawa, S.; Balasubramanian, S.; Maji, T. K., Crystal Dynamics in Multi-stimuli-Responsive Entangled Metal-Organic Frameworks. Chemistry-a European Journal 2016, 22 (44), 15864-15873 http://dx.doi.org/10.1002/chem.201602087|
Chemistry-A European Journal
|Abstract:||An understanding of solid-state crystal dynamics or flexibility in metal-organic frameworks (MOFs) showing multiple structural changes is highly demanding for the design of materials with potential applications in sensing and recognition. However, entangled MOFs showing such flexible behavior pose a great challenge in terms of extracting information on their dynamics because of their poor single-crystallinity. In this article, detailed experimental studies on a twofold entangled MOF (f-MOF-1) are reported, which unveil its structural response toward external stimuli such as temperature, pressure, and guest molecules. The crystallographic study shows multiple structural changes in f-MOF-1, by which the 3D net deforms and slides upon guest removal. Two distinct desolvated phases, that is, f-MOF-1a and f-MOF-1b, could be isolated; the former is a metastable one and transformable to the latter phase upon heating. The two phases show different gated CO2 adsorption profiles. DFT-based calculations provide an insight into the selective and gated adsorption behavior with CO2 of f-MOF-1b. The gate-opening threshold pressure of CO2 adsorption can be tuned strategically by changing the chemical functionality of the linker from ethanylene (-CH2-CH2-) in f-MOF-1 to an azo (-N=N-) functionality in an analogous MOF, f-MOF-2. The modulation of functionality has an indirect influence on the gate-opening pressure owing to the difference in inter-net interaction. The framework of f-MOF-1 is highly responsive toward CO2 gas molecules, and these results are supported by DFT calculations.|
|Appears in Collections:||Research Articles (Balasubramanian Sundaram)|
Research Articles (Tapas Kumar Maji)
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