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| Type |
Poster Presentation |
| Area |
Physical Chemistry |
| Room No. |
Event Hall |
| Time |
4월 20일 (금요일) 11:00~12:30 |
| Code |
PHYS.P-220 |
| Subject |
DFT Study of Photophysical Properties of Phenanthroimidazole-triarylborane Dyads |
| Authors |
Ji Hye Lee, Kang Mun Lee, Hyonseok Hwang*
Department of Chemistry, Kangwon National University, Korea
|
| Abstract |
Phenanthroimidazole-based derivatives have received great attention as promising attractive molecular scaffolds for optoelectronic materials of organic light-emitting diodes (OLEDs), dye-sensitized solar cells, and effective mother-luminophores of fluorescent chemosensors for detecting cations. In order to investigate the photophysical properties of all phenanthroimidazole-triarylborane dyads, density functional theory (DFT) calculations were performed. From the calculation results, we tried to analyze the UV-vis absorption and photoluminescence (PL) spectra obtained from the experiments. The results indicate that the high-energy emission corresponds to π- π* transition of the phenanthroimidazole portion, whereas the low-energy emission origiginates from the intramolecular charge transfer (ICT) transition between phenanthroimidazole and triarylborane moiety. |
| E-mail |
jhlee81@kangwon.ac.kr |
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121st General Meeting of the KCS