122nd General Meeting of the KCS

Type Poster Presentation
Area Physical Chemistry
Room No. Grand Ballroom
Time 10월 19일 (금요일) 11:00~12:30
Code PHYS.P-234
Subject Computational Approach for Thermally Activated Delayed Fluorescence of Nido-Carboranes
Authors Saibal Jana, Sang Uck Lee*
Department of Bio-Nano Engineering, Hanyang University, Korea
Abstract Organic light emitting diodes (OLEDs) are promising for the next generation displays and lighting due to their low power consumption and potentially long operational lifetime. Thermally activated delayed fluorescence (TADF) materials have recently attracted great attention as efficient emitters in OLEDs.1 TADF emitters are intrinsically pure organic materials, which can harvest triplet excitons via reversed intersystem crossing (RISC). To facilitate RISC within a practically reasonable temperature range, TADF emitters require a very small energy difference (ΔEST) between the excited singlet (S1) and triplet states (T1). This is usually achieved by constructing TADF emitters with rational molecular designing, allowing the structures for effective reduction in the spatial overlap between HOMO and LUMO. Hence, it remains quite challenging to search for an appropriate combination with proper molecular configuration with donor and acceptor moieties to attain excellent TADF activity. In this presentation, a theoretical insight into the ΔEST of the new class of donor family (nido-carboranes) will be discussed. In addition, how the TADF activity can be used as a sensitizer will be mentioned along with the TADF activity of triarylboron (TAB) compounds.2 [References: 1. H. Uoyama, K. Goushi, K. Shizu, H. Nomura and C. Adachi, Nature, 2012, 492, 234.; 2. N. V. Nghia, S. Jana, S. Sujith, J. Y. Ryu, J. Lee, S. U. Lee and M. H. Lee, Angew. Chem. Int. Ed., 2018, (just accepted manuscript)]
E-mail saibaljana87@gmail.com