Fig. 1: Schematic illustration for the adaptive host–guest materials.
From: Boosting organic phosphorescence in adaptive host-guest materials by hyperconjugation
a Demonstration of adaptation in host–guest systems. The guest molecule undergoes an adaptive conformation in response to the hosts with different conformational spaces. b Hyperconjugation and steric effects. Phenothiazine (PTZ) as prototype, note that manipulation of electron delocalization between the specific orbitals within a molecule and neighboring molecules could controllably tune the hyperconjugation and steric effects, respectively. The green and purple bubbles represent the n and π* wavefunctions with opposite phases, and the cyan bubbles are intermolecular interactions between host and guest molecules. c Molecular structures with flexible frameworks for thianthrene (TA), phenoxathiin (PXT), xanthene (XT), PTZ, and thioxanthene (TX). The dihedral angles (θ) are calculated between planes including atoms X and Y as well as the center of mass of benzene rings.
