Atomistic Insight Into the Host–Guest Interaction of a Photoresponsive Metal–Organic Framework

Abstract: Photoresponsive functional materials have gained increasing attention due to their externally tunable properties. Molecular switches embedded in these materials enable the control of phenomena at the atomic level by light. Metal–organic frameworks (MOFs) provide a versatile platform to immobilize these photoresponsive units within defined molecular environments to optimize the intended functionality. For the application of these photoresponsive MOFs (pho‐MOFs), it is crucial to understand the influence of the switching state on the host–guest interaction. Therefore, we present a detailed insight into the impact of molecular switching on the intermolecular interactions. By performing atomistic simulations, we revealed that due to different interactions of the guest molecules with the two isomeric states of an azobenzene‐functionalized MOF, both the adsorption sites and the orientation of the molecules within the pores are modulated. By shedding light on the host–guest interaction, our study highlights the unique potential of pho‐MOFs to tailor molecular interaction by light.

Standort
Deutsche Nationalbibliothek Frankfurt am Main
Umfang
Online-Ressource
Sprache
Englisch

Erschienen in
Atomistic Insight Into the Host–Guest Interaction of a Photoresponsive Metal–Organic Framework ; volume:26 ; number:6 ; year:2020 ; pages:1263-1268 ; extent:6
Chemistry - a European journal ; 26, Heft 6 (2020), 1263-1268 (gesamt 6)

Urheber
Kolodzeiski, Elena
Amirjalayer, Saeed

DOI
10.1002/chem.201905139
URN
urn:nbn:de:101:1-2022060307414466788825
Rechteinformation
Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
Letzte Aktualisierung
15.08.2025, 07:36 MESZ

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Beteiligte

  • Kolodzeiski, Elena
  • Amirjalayer, Saeed

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