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

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 th...

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Bibliographic Details
Published in:Chemistry : a European journal 2020-01, Vol.26 (6), p.1263-1268
Main Authors: Kolodzeiski, Elena, Amirjalayer, Saeed
Format: Article
Language:English
Subjects:
atomistic simulations
Chemistry
Communication
Communications
Functional materials
host–guest interactions
Metal-organic frameworks
Molecular interactions
Molecular machines
molecular switches
photoresponsive materials
Switches
Switching
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Summary: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. Light on interaction: Photoresponsive molecular switches embedded within metal–organic frameworks enable the modification of both the adsorption sites and the orientation of guest molecules. Atomistic simulations predict the high potential of these photoresponsive materials to change intermolecular interactions (see figure).
ISSN:0947-6539
1521-3765
DOI:10.1002/chem.201905139