It has a wide application prospect in flat panel display and solid-state illumination.Compared with red and green phosphorescent materials,the research progress of blue phosphorescent materials are scarce.In order to find blue phosphorescent materials,the geometric structure,absorption spectra and phosphorescent properties of four ring metallized Ir(Ⅲ) complexes were studied by density functional theory.It can be seen from the calculation results that the minimum energy absorption wavelength and emission wavelength were very close to the experimental data.The lowest energy absorption of the four complexes was at 364,357,361 and 350nm respectively,which mainly came from the HOMO→LUMO transition.The emission wavelength of the four complexes were at 463,480,490 and 494nm respectively,all of which came from the contribution of excitation configuration LUMO→HOMO.
Li Jiawei, Gao Jing, Chen Tong, Wang Bao, Shang Xiaohong
. Density functional theory study on the absorption spectra and phosphorescence spectra of iridium (Ⅲ) complexe[J]. New Chemical Materials, 2021
, 49(6)
: 184
-187
.
DOI: 10.19817/j.cnki.issn 1006-3536.2021.06.040
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