Print Email Facebook Twitter Emergence of Coupled Rotor Dynamics in Metal-Organic Frameworks via Tuned Steric Interactions Title Emergence of Coupled Rotor Dynamics in Metal-Organic Frameworks via Tuned Steric Interactions Author Gonzalez Nelson, A.M. (TU Delft ChemE/Catalysis Engineering; Dutch Polymer Institute) Mula, S. (TU Delft ChemE/Catalysis Engineering) Šimėnas, Mantas (Vilnius University Institute of Biotechnology) Balčiū Nas, Sergejus (Vilnius University Institute of Biotechnology) Altenhof, Adam R. (Florida State University; National High Magnetic Field Laboratory) Vojvodin, Cameron S. (Florida State University; National High Magnetic Field Laboratory) Canossa, Stefano (Universiteit Antwerpen) Banys, Jū Ras (Vilnius University Institute of Biotechnology) van der Veen, M.A. (TU Delft ChemE/Catalysis Engineering) Date 2021 Abstract The organic components in metal-organic frameworks (MOFs) are unique: they are embedded in a crystalline lattice, yet, as they are separated from each other by tunable free space, a large variety of dynamic behavior can emerge. These rotational dynamics of the organic linkers are especially important due to their influence over properties such as gas adsorption and kinetics of guest release. To fully exploit linker rotation, such as in the form of molecular machines, it is necessary to engineer correlated linker dynamics to achieve their cooperative functional motion. Here, we show that for MIL-53, a topology with closely spaced rotors, the phenylene functionalization allows researchers to tune the rotors' steric environment, shifting linker rotation from completely static to rapid motions at frequencies above 100 MHz. For steric interactions that start to inhibit independent rotor motion, we identify for the first time the emergence of coupled rotation modes in linker dynamics. These findings pave the way for function-specific engineering of gear-like cooperative motion in MOFs. To reference this document use: http://resolver.tudelft.nl/uuid:f80ccb41-30f4-4430-b3c3-e299446d0343 DOI https://doi.org/10.1021/jacs.1c03630 ISSN 0002-7863 Source Journal of the American Chemical Society, 143 (31), 12053-12062 Part of collection Institutional Repository Document type journal article Rights © 2021 A.M. Gonzalez Nelson, S. Mula, Mantas Šimėnas, Sergejus Balčiū Nas, Adam R. Altenhof, Cameron S. Vojvodin, Stefano Canossa, Jū Ras Banys, M.A. van der Veen, More Authors Files PDF jacs.1c03630.pdf 4.75 MB Close viewer /islandora/object/uuid:f80ccb41-30f4-4430-b3c3-e299446d0343/datastream/OBJ/view