TY - JOUR
T1 - Theoretical investigation on the electronic structures and phosphorescent properties of a series of Ir(III) complexes with the diphenyl(1-naphthyl)phosphine ancillary ligand
AU - Shang, Xiaohong
AU - Han, Deming
AU - Guan, Shuang
AU - Wang, Xiaofeng
AU - Zhang, Gang
N1 - Funding Information:
The authors thank the Science and Technology Development Project of Jilin Province of China (Grant No. 201201125 ) and the Program of Science and Technology Development Plan of Jilin Province of China (Grant No. 20140520090JH ).
PY - 2014/10/20
Y1 - 2014/10/20
N2 - The electronic structures, photophysical properties, and potential organic light-emitting diodes (OLEDs) applications of a series of Ir(III) complexes 1-6 have been theoretically investigated by using the density functional theory (DFT) method. The photophysical properties of these complexes are greatly affected by the different substituents on the cyclometalated ligands. The phosphorescence wavelength, quantum yields, and luminescent efficiency of these complexes also are closely related to the π-conjugation length, substitution positions, and substituents inductive effect for the cyclometalated ligands. The designed complex 5 could be a potential candidate as a blue-emitting material with a high quantum efficiency.
AB - The electronic structures, photophysical properties, and potential organic light-emitting diodes (OLEDs) applications of a series of Ir(III) complexes 1-6 have been theoretically investigated by using the density functional theory (DFT) method. The photophysical properties of these complexes are greatly affected by the different substituents on the cyclometalated ligands. The phosphorescence wavelength, quantum yields, and luminescent efficiency of these complexes also are closely related to the π-conjugation length, substitution positions, and substituents inductive effect for the cyclometalated ligands. The designed complex 5 could be a potential candidate as a blue-emitting material with a high quantum efficiency.
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U2 - 10.1016/j.cplett.2014.09.024
DO - 10.1016/j.cplett.2014.09.024
M3 - Article
AN - SCOPUS:84907668855
VL - 614
SP - 110
EP - 116
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
ER -