A theoretical study of a series of iridium complexes with methyl or nitro-substituted 2-(4-fluorophenyl)pyridine ligands with the low-efficiency roll-off performance

Authors: Song, Ming-Xing, Ji, Ye, Zhang, Hai-Han, Liu, Xu-Hui, Yang, Jia-Yu, Guo, Xi-Lian, Wang, Jia, Qin, Zheng-Kun, Bai, Fu-Quan

Source: In Chemical Physics Letters June 2023 820

A theory study based on DFT/TD‐DFT for a series of Ir(III) complexes with the low‐efficiency roll‐off and the high‐inter‐system crossover rate properties.

Authors: Song, Ming‐Xing^1,2 (AUTHOR) mxsong@jlnu.edu.cn, Guo, Xi‐Lian^1,2 (AUTHOR), Ji, Ye^1,2 (AUTHOR), Yang, Jia‐Yu^1,2 (AUTHOR), Zhang, Yun‐Kai^1,2 (AUTHOR), Pan, Zi‐Cong^1,2 (AUTHOR), Wang, Mei‐Qi^1,2 (AUTHOR), Qin, Zheng‐Kun^1,2 (AUTHOR) qin_zhengkun@126.com

Source: International Journal of Quantum Chemistry. 1/5/2024, Vol. 124 Issue 1, p1-9. 9p.

Subject Terms: *TIME-dependent density functional theory, *ELECTRON affinity, *FRONTIER orbitals, *DENSITY functional theory, *IONIZATION energy, *DELAYED fluorescence

Theoretical study on luminescence properties of a series of iridium complexes with high spin orbit coupling coefficients

Authors: Qin, Zheng‐Kun, Yang, Jia‐Yu, Guo, Xi‐Lian, Ji, Ye, Zhang, Yun‐Kai, Pan, Zi‐Cong, Wang, Mei‐Qi, Song, Ming‐Xing

Source: Journal of physical organic chemistry. 36(10)

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A series of theoretical studies on phosphorescent materials based on deep red/near-infrared iridium complex with low-efficiency roll-off performance

Authors: Ji, Ye, Guo, Xi-Lian, Yang, Jia-Yu, Zhang, Hai-Han, Liu, Xu-Hui, Song, Ming-Xing, Qin, Zheng-Kun, Wang, Jia, Bai, Fu-Quan

Source: Molecular physics. 121(15)

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Theoretical study of the high intersystem spin crossing (ISC) ability of a series of iridium complexes with low efficiency roll‐off properties

Authors: Song, Ming‐Xing, Zhang, Hai‐Han, Liu, Xu‐Hui, Ji, Ye, Guo, Xi‐Lian, Yang, Jia‐Yu, Qin, Zheng‐Kun, Bai, Fu‐Quan, Zhang, Hong‐Jie

Source: Applied organometallic chemistry. 36(11)

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100162413625.0x000001&indx=1&recIds=ETOCvdc_100162413625.0x000001