Convergence of tetraphenylethene towards a series of large size AIE compounds

Five large size polycyclic aromatic hydrocarbons (PAHs) obtained through convergence of tetraphenylethene (TPE) onto pentacenediene or bianthracenylidene cores were synthesized and fully characterized. Such convergence strategy yielded AIEgens with aggregation-induced emission enhancement (AIEE) effect and improved fluorescence quantum yields compared with a bisect strategy where pentacenediene and anthracenylidene were inserted into bisected TPE-AIEgens. Single crystal structure and DFT calculations of such large size AIE compounds indicate that the intermolecular interactions play an important role on the quantum yields and other physiochemical properties. [Display omitted] ●Large size polycyclic aromatic hydrocarbons were successfully synthesized through convergence of tetraphenylethene onto pentacenediene or bianthracenylidene cores●The convergence method yielded AIEgens with AIE effects and improved fluorescence quantum yields compared with the bisect method reported in literature●DFT calculations of such large size AIE compounds indicate that the intermolecular interactions play an important role on the quantum yields and other physiochemical properties