TY - JOUR
T1 - Theoretical investigation on the electronic structures and photophysical properties of a series of iridium(III) complexes with different main ligands
AU - Zhang, Qiang
AU - Zhao, Lihui
AU - Han, Deming
AU - Zhang, Gang
N1 - Funding Information:
The authors are grateful to the financial aid from the Science and Technology Research Project for the Twelfth Five-year Plan of Education Department of Jilin Province of China (Grant No. 2014-37 ), the Program of Science and Technology Development Plan of Jilin Province of China (Grant Nos. 20140520090JH , 20130206032YY ), the Fund for Doctoral Scientific Research Startup of Changchun University of Science and Technology (Grant No. 40301855 ), and the Science and Technology Innovation Fund of Changchun University of Science and Technology (Grant No. XJJLG-2014-12 ).
Publisher Copyright:
© 2015 Elsevier B.V. All rights reserved.
PY - 2015/5/25
Y1 - 2015/5/25
N2 - The influence of different substituent groups and π-conjugation degree on the optical and electronic properties of six Ir(III) complexes has been theoretically studied. The injection abilities of holes and electrons into these complexes have been evaluated with the ionization potential and electron affinity. The lowest energy absorption wavelengths calculated for these complexes are in good agreement with the available experimental values. The lowest energy emissions of these complexes are localized at 569, 584, 634, 554, 569, and 851 nm, respectively. The study could provide good information for designing the potential phosphorescent material for use in the organic light-emitting diodes.
AB - The influence of different substituent groups and π-conjugation degree on the optical and electronic properties of six Ir(III) complexes has been theoretically studied. The injection abilities of holes and electrons into these complexes have been evaluated with the ionization potential and electron affinity. The lowest energy absorption wavelengths calculated for these complexes are in good agreement with the available experimental values. The lowest energy emissions of these complexes are localized at 569, 584, 634, 554, 569, and 851 nm, respectively. The study could provide good information for designing the potential phosphorescent material for use in the organic light-emitting diodes.
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U2 - 10.1016/j.cplett.2015.05.012
DO - 10.1016/j.cplett.2015.05.012
M3 - Article
AN - SCOPUS:84929613722
SN - 0009-2614
VL - 633
SP - 35
EP - 40
JO - Chemical Physics Letters
JF - Chemical Physics Letters
ER -