| 학회 | 한국공업화학회 |
| 학술대회 | 2022년 봄 (05/11 ~ 05/13, 제주국제컨벤션센터(ICC JEJU)) |
| 권호 | 26권 1호 |
| 발표분야 | 우수외국인연구자세션 |
| 제목 | Investigation on optical absorption of neutral bis(1,3-diisopropyl imidazoline-2,4,5-trithione) platinum(II) complexes: A density functional theory approach |
| 초록 | We investigated optical absorption in the near-infrared (NIR) region of neutral bis(1,3-diisopropylimidazoline-2,4,5-trithione) platinum(II) complexes using DFT and G0W0-BSE calculations. We observed a correlation between the geometries of isopropyl functional groups and calculated absorption spectra. These results are consistent with the experiment data, in which the compounds have two forms with different optical absorption spectra. Acknowledgment: This work was supported by the Technology Innovation Program (20011133) funded by the Ministry of Trade, Industry & Energy (MOTIE, Korea). |
| 저자 | LUONG XUAN HOANG, Nguyet Pham, 이승걸 |
| 소속 | 부산대 |
| 키워드 | platinum complex; dithiolene complex; NIR; density functional theory; GW-BSE approximation |
