Theoretical assessments and optical and electrochemical properties of the alkoxylated bischalcone as emissive material in single-layer OLED

• Main Authors: Saidin, Syaharil, Khairul, Wan M., Rahamathullah, Rafizah, Mohammed, Mas, Yusoff, Farhanini, Muhamad Sarih, Norazilawati
• Format: Article
• Published: Springer 2022
• Subjects: Q Science (General); QD Chemistry
• Online Access: http://eprints.um.edu.my/41889/; https://doi.org/10.1007/s00894-022-05199-4

A new bischalcone comprising of hexyloxy (-OC6H2n+1) chain based on `Donor (D)-pi-Donor (D)' system was successfully designed and synthesized to demonstrate as emitting material for single-layer OLEDs. Density functional theory (DFT) assessment at B3LYP/6-31G(d,p) was computed to obtain frontie...