ArticleJournal of the American Chemical Society2020
Molecular Factors Controlling the Isomerization of Azobenzenes in the Cavity of a Flexible Coordination Cage.
Article in Journal of the American Chemical Society, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 38 papers.
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Who cites it
38 citing papers in PubMed.
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- A Dynamic Silver(I) Nanocluster Holds Together a 3 × 3 Self-Assembled Grid.Journal of the American Chemical Society · 2025Article
- Article
- Synthesis, Characterization, and Photochemistry of a GaInorganic chemistry · 2024Article
- Deuteration as a General Strategy to Enhance Azobenzene-Based Photopharmacology.Angewandte Chemie (International ed. in English) · 2024Article
- Photoinduced dual bond rotation of a nitrogen-containing system realized by chalcogen substitution.Nature chemistry · 2024Article
- A CuJournal of the American Chemical Society · 2024Article
- Amplifying dual-visible-light photoswitching in aqueous mediaChemical science · 2024Article
- Dual-controlled guest release from coordination cages.Communications chemistry · 2024Article
- Systematic exploration of accessible topologies of cage moleculesChemical science · 2023Article
- Guest Encapsulation Alters the Thermodynamic Landscape of a Coordination Host.Journal of the American Chemical Society · 2023Article
- Into the dynamics of rotaxanes at atomistic resolution.Chemical science · 2023Article
- Subtle Stereochemical Effects Influence Binding and Purification Abilities of an FeJournal of the American Chemical Society · 2023Article
- Light-Controlled Destruction and Assembly: Switching between Two Differently Composed Cage-Type Complexes.Angewandte Chemie (International ed. in English) · 2023Article
- Altering the Properties of Spiropyran Switches Using Coordination Cages with Different Symmetries.Journal of the American Chemical Society · 2022Article
- Unraveling the timescale of the structural photo-response within oriented metal-organic framework films.Chemical science · 2022Article
- Reconstructing reactivity in dynamic host-guest systems at atomistic resolution: amide hydrolysis under confinement in the cavity of a coordination cage.Chemical science · 2022Article
- Visible-Light-Responsive Self-Assembled Complexes: Improved Photoswitching Properties by Metal Ion Coordination.Angewandte Chemie (International ed. in English) · 2022Article
- Ternary host-guest complexes with rapid exchange kinetics and photoswitchable fluorescence.Chem · 2022Article
Corrections and comments
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Photoswitchable molecules are employed for many applications, from the development of active materials to the design of stimuli-responsive molecular systems and light-powered molecular machines. To fully exploit their potential, we must learn ways to control the mechanism and kinetics of their photoinduced isomerization. One possible strategy involves confinement of photoresponsive switches such as azobenzenes or spiropyrans within crowded molecular environments, which may allow control over their light-induced conversion. However, the molecular factors that influence and control the switching process under realistic conditions and within dynamic molecular regimes often remain difficult to ascertain. As a case study, here we have employed molecular models to probe the isomerization of azobenzene guests within a Pd(II)-based coordination cage host in water. Atomistic molecular dynamics and metadynamics simulations allow us to characterize the flexibility of the cage in the solvent, the (rare) guest encapsulation and release events, and the relative probability/kinetics of light-induced isomerization of azobenzene analogues in these host-guest systems. In this way, we can reconstruct the mechanism of azobenzene switching inside the cage cavity and explore key molecular factors that may control this event. We obtain a molecular-level insight on the effects of crowding and host-guest interactions on azobenzene isomerization. The detailed picture elucidated by this study may enable the rational design of photoswitchable systems whose reactivity can be controlled via host-guest interactions.
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Registered trials
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