Thermodynamic selectivity and kinetic control in the encapsulation of spiropyran derivatives by cucurbit[8]uril
Abstract
H NMR and time-resolved UV-vis measurements further verify the strong host-guest interactions and the host-modulated isomerization kinetics, in close agreement with the differentiated confinement regimes predicted by simulation. Beyond CB[8], comparative simulations indicate that γ-cyclodextrin provides a more accommodating cavity environment for SP2. Overall, this work demonstrates a generalizable theory-to-experiment workflow that couples thermodynamic and kinetic criteria to rationally select host-guest pairs, offering a transferable framework for designing low-leakage, multi-stimuli-responsive supramolecular delivery and controlled-release platforms.
Fields of Study & Subjects
Supramolecular Chemistry and Complexes
Photochromic and Fluorescence Chemistry
Luminescence and Fluorescent Materials
Publication details
- Journal / source
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 28
- Issue
- 26
- Pages
- 15898–15909
- Publication date
- 1 January 2026
- Language
- EN