Multicomponent reaction-based discovery of pyrimido[2, 1-b][1, 3]benzothiazole (PBT) as a novel core for full-color-tunable AIEgens. Issue 31 (21st July 2021)

• Record Type: Journal Article
• Authors: Gong, Shan-Shan; Kong, Rui; Zheng, Chunhong; Fan, Congbin; Wang, Chengjun; Yang, Dong-Zhao; Chen, Zhen-Zhen; Duo, Shuwang; Pu, Shouzhi; Sun, Qi
• Is Part Of: Journal of materials chemistry. Volume 9:Issue 31(2021)
• Page Start: 10029
• Page End: 10036
• Publication Date: 2021-07-21
• Subjects: Materials -- Periodicals; Chemistry, Analytic -- Periodicals; Optical materials -- Research -- Periodicals; Electronics -- Materials -- Research -- Periodicals; 543.0284
• DOI: 10.1039/d1tc02301b
• Languages: English
• ISSNs: 2050-7526

Abstract

Abstract : With the aid of multicomponent reaction (MCR), pyrimido[2, 1- b ][1, 3]benzothiazole (PBT) was identified as a novel core structure for full-color-tunable AIEgens with unique working mechanism. Abstract : The Hf(OTf)4 -catalyzed three-component reaction (3CR) was employed as a powerful tool for facile access to a library of 23 pyrimido[2, 1- b ][1, 3]benzothiazole (PBT)-based AIEgens with full-color tunability, solid-state fluorescence quantum yields of up to 86.8%, and high crystallizability. As atypical propeller-shaped molecules, PBT AIEgens were experimentally determined to dissipate the energy of the excited state via the rotation of the exocyclic carbonyl (ester/ketone) rather than the commonly known phenyl group. Theoretical calculations and crystallographic analysis of PBT AIEgens provide insights into their unique structure–property relationships and AIE mechanism from orbital and molecular aspects, respectively.