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 is

SUBMITTER: Kolodzeiski E 

PROVIDER: S-EPMC7027908 | biostudies-literature | 2020 Jan

REPOSITORIES: biostudies-literature