Design, synthesis, and controllable transformation of bowl-shaped heterosumanenes

Wide‐range color‐tunable afterglow emission by the modulation of triplet exciton transition processes based on buckybowl structure

“…[ 43 ] The asymmetric bowl structure led to the non‐uniform electron cloud distributions of OTC surfaces, thus providing an opportunity for donor‐acceptor interaction in the vertical direction. [ 41,45,46 ] In addition, the calculated ESP values ranged from −29.78 (O atoms in the sulfonyl group) to +22.97 kcal/mol (benzene ring) (Figure 2E, Figure S3, and Tables S2 and S3). Therefore, the OTC molecule presented a vertical ESP difference from the different bowl surfaces as well as an intramolecular ESP difference from the donor and acceptor units.…”

“…The buckybowl-based structure has been used as the core component in constructing polycyclic aromatic compounds with diverse structures and functions. [41][42][43][44] Compared with the planar conjugated molecules with the symmetric electrostatic potential (ESP) distribution on two surfaces (Figure 1A), buckybowl molecules' concave and convex surfaces have different electron cloud distributions on two surfaces (Figure 1B). Moreover, buckybowl-based molecules mainly adopt the columnar stacking of the concave-convexconcave model at the aggregated state because of the geometric configuration and intermolecular dipoles.…”