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Elucidating dissociation activation energies in host–guest assemblies featuring fast exchange dynamics

Shusterman-Krush, Ronit; Grimm, Laura 1; Avram, Liat; Biedermann, Frank 1; Bar-Shir, Amnon
1 Karlsruher Institut für Technologie (KIT)


The ability to mediate the kinetic properties and dissociation activation energies (E$_{a}$) of bound guests by controlling the characteristics of "supramolecular lids" in host-guest molecular systems is essential for both their design and performance. While the synthesis of such systems is well advanced, the experimental quantification of their kinetic parameters, particularly in systems experiencing fast association and dissociation dynamics, has been very difficult or impossible with the established methods at hand. Here, we demonstrate the utility of the NMR-based guest exchange saturation transfer (GEST) approach for quantifying the dissociation exchange rates (k$_{out}$)) and activation energy (E$_{a, out}$) in host-guest systems featuring fast dissociation dynamics. Our assessment of the effect of different monovalent cations on the extracted E$_{a, out}$ in cucurbit[7]uril:guest systems with very fast k$_{out}$ highlights their role as "supramolecular lids" in mediating a guest's dissociation E$_{a}$. We envision that GEST could be further extended to study kinetic parameters in other supramolecular systems characterized by fast kinetic properties and to design novel switchable host-guest assemblies.

Verlagsausgabe §
DOI: 10.5445/IR/1000130966
Veröffentlicht am 25.03.2021
DOI: 10.1039/d0sc05666a
Zitationen: 16
Web of Science
Zitationen: 16
Zitationen: 19
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Nanotechnologie (INT)
Publikationstyp Zeitschriftenaufsatz
Publikationsdatum 21.01.2021
Sprache Englisch
Identifikator ISSN: 2041-6520, 2041-6539
KITopen-ID: 1000130966
HGF-Programm 43.31.02 (POF IV, LK 01) Devices and Applications
Erschienen in Chemical science
Verlag Royal Society of Chemistry (RSC)
Band 12
Heft 3
Seiten 865–871
Nachgewiesen in Web of Science
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