Theoretical study on luminescence properties of a series of iridium complexes with high spin orbit coupling coefficients
Zheng-Kun Qin
College of Information Technology, Jilin Normal University, Siping, People's Republic of China
Jilin Engineering Research Center of Optoelectronic Materials and Devices, Siping, People's Republic of China
Search for more papers by this authorJia-Yu Yang
College of Information Technology, Jilin Normal University, Siping, People's Republic of China
Jilin Engineering Research Center of Optoelectronic Materials and Devices, Siping, People's Republic of China
Search for more papers by this authorXi-Lian Guo
College of Information Technology, Jilin Normal University, Siping, People's Republic of China
Jilin Engineering Research Center of Optoelectronic Materials and Devices, Siping, People's Republic of China
Search for more papers by this authorYe Ji
College of Information Technology, Jilin Normal University, Siping, People's Republic of China
Jilin Engineering Research Center of Optoelectronic Materials and Devices, Siping, People's Republic of China
Search for more papers by this authorYun-Kai Zhang
College of Information Technology, Jilin Normal University, Siping, People's Republic of China
Jilin Engineering Research Center of Optoelectronic Materials and Devices, Siping, People's Republic of China
Search for more papers by this authorZi-Cong Pan
College of Information Technology, Jilin Normal University, Siping, People's Republic of China
Jilin Engineering Research Center of Optoelectronic Materials and Devices, Siping, People's Republic of China
Search for more papers by this authorMei-Qi Wang
College of Information Technology, Jilin Normal University, Siping, People's Republic of China
Jilin Engineering Research Center of Optoelectronic Materials and Devices, Siping, People's Republic of China
Search for more papers by this authorCorresponding Author
Ming-Xing Song
College of Information Technology, Jilin Normal University, Siping, People's Republic of China
Jilin Engineering Research Center of Optoelectronic Materials and Devices, Siping, People's Republic of China
Correspondence
Ming-Xing Song, College of Information Technology, Jilin Normal University, Siping 136000, People's Republic of China.
Email: [email protected]
Search for more papers by this authorZheng-Kun Qin
College of Information Technology, Jilin Normal University, Siping, People's Republic of China
Jilin Engineering Research Center of Optoelectronic Materials and Devices, Siping, People's Republic of China
Search for more papers by this authorJia-Yu Yang
College of Information Technology, Jilin Normal University, Siping, People's Republic of China
Jilin Engineering Research Center of Optoelectronic Materials and Devices, Siping, People's Republic of China
Search for more papers by this authorXi-Lian Guo
College of Information Technology, Jilin Normal University, Siping, People's Republic of China
Jilin Engineering Research Center of Optoelectronic Materials and Devices, Siping, People's Republic of China
Search for more papers by this authorYe Ji
College of Information Technology, Jilin Normal University, Siping, People's Republic of China
Jilin Engineering Research Center of Optoelectronic Materials and Devices, Siping, People's Republic of China
Search for more papers by this authorYun-Kai Zhang
College of Information Technology, Jilin Normal University, Siping, People's Republic of China
Jilin Engineering Research Center of Optoelectronic Materials and Devices, Siping, People's Republic of China
Search for more papers by this authorZi-Cong Pan
College of Information Technology, Jilin Normal University, Siping, People's Republic of China
Jilin Engineering Research Center of Optoelectronic Materials and Devices, Siping, People's Republic of China
Search for more papers by this authorMei-Qi Wang
College of Information Technology, Jilin Normal University, Siping, People's Republic of China
Jilin Engineering Research Center of Optoelectronic Materials and Devices, Siping, People's Republic of China
Search for more papers by this authorCorresponding Author
Ming-Xing Song
College of Information Technology, Jilin Normal University, Siping, People's Republic of China
Jilin Engineering Research Center of Optoelectronic Materials and Devices, Siping, People's Republic of China
Correspondence
Ming-Xing Song, College of Information Technology, Jilin Normal University, Siping 136000, People's Republic of China.
Email: [email protected]
Search for more papers by this authorAbstract
In this paper, several Ir (III) complexes with transition metal as the central atom formed by the corresponding combination of two main ligands and three auxiliary ligands have been studied theoretically. The electronic structure, frontier molecular orbital, and spin orbit coupling data are used to analyze its application value in light emitting devices. The density functional theory is used to study (tbi)2Ir(bpp), (tbi-c)2Ir(bpp), (tbi)2Ir(dbm), (tbi-c)2Ir(dbm), (tbi)2Ir(pic), and (tbi-c)2Ir(pic). bpp = (2Z)-3-hydroxy-13-diphenylprop-2-en-1-one; dbm = 1,3-di-phenyl-1, 3-propanedione; pic = picolinate.
Supporting Information
| Filename | Description |
|---|---|
| poc4552-sup-0001-Suppl Material.docxWord 2007 document , 2.2 MB |
Figure S1. (tbi)2Ir(bpp). Figure S2. (tbi-c)2Ir(bpp). Figure S3. (tbi)2Ir(dbm). Figure S4. (tbi-c)2Ir(dbm). Figure S5. (tbi)2Ir(pic). Figure S6. (tbi-c)2Ir(pic). Table S1. oscillator strength, distribution and excitation energy in CH2CL2 solution. |
Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
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