Theoretical study on the electronic structures and photophysical properties of a series of Ir(III) complexes based on substituted 2-(pyrazol-3-yl)pyridine ligand

2013 ◽  
Vol 588 ◽  
pp. 68-75 ◽  
Author(s):  
Xiaohong Shang ◽  
Deming Han ◽  
Dongfeng Li ◽  
Shuang Guan ◽  
Zhijian Wu
Keyword(s):  
Electronic Structures ◽  
Theoretical Study ◽  
Photophysical Properties ◽  
Pyridine Ligand

A theoretical study on the electronic structures and photophysical properties of phosphorescent Iridium(iii) complexes with –CH3/H and t-Bu substituents

2016 ◽  
Vol 45 (31) ◽  
pp. 12587-12593 ◽  
Author(s):  
Yanling Si ◽  
Nan Qu ◽  
Liying Cui ◽  
Bo Gao ◽  
Zhijian Wu
Keyword(s):  
Electronic Structures ◽  
Theoretical Study ◽  
Photophysical Properties ◽  
Emission Spectra ◽  
Absorption And Emission ◽  
Absorption And Emission Spectra ◽  
Shed Light

We present the electronic structures, absorption and emission spectra of a series of Ir(iii) complexes to shed light on the effect of different substituents on the photophysical properties.

A theoretical study on the injection, transport, absorption and phosphorescence properties of heteroleptic iridium(iii) complexes with different ancillary ligands

2014 ◽  
Vol 13 (3) ◽  
pp. 574-582 ◽  
Author(s):  
Xiaohong Shang ◽  
Ning Wan ◽  
Deming Han ◽  
Gang Zhang
Keyword(s):  
Electronic Structures ◽  
Theoretical Study ◽  
Photophysical Properties ◽  
Ancillary Ligands

A series of heteroleptic iridium(iii) complexes have been theoretically investigated on their electronic structures, photophysical properties, and the phosphorescent efficiency mechanism.

Theoretical study on the effect of different substituents on the electronic structures and photophysical properties of phosphorescent Ir(iii) complexes

RSC Advances ◽  
2014 ◽  
Vol 4 (31) ◽  
pp. 15849-15855 ◽  
Author(s):  
Shuai Zhang ◽  
Yanling Si ◽  
Zhijian Wu
Keyword(s):  
Electronic Structures ◽  
Theoretical Study ◽  
Energy Gap ◽  
Photophysical Properties ◽  
Transition Dipole Moment ◽  
High Quantum Yield ◽  
Transition Dipole ◽  
High Quantum Efficiency ◽  
High Quantum ◽  
Splitting Energy

The high quantum yield of 1 compared to 4 is explained by the S1–T1 splitting energy, the transition dipole moment and the energy gap between 3MLCT/π–π* and 3MC d–d states. Complexes 2 and 3 are expected to be the potential phosphorescence emitters in OLEDs with high quantum efficiency.

scholarly journals Theoretical study on the electronic structures and photophysical properties of carbon nanorings and their analogues

2013 ◽  
Vol 62 (8) ◽  
pp. 083101
Author(s):  
Xu Ying-Ying ◽  
Kan Yu-He ◽  
Wu Jie ◽  
Tao Wei ◽  
Su Zhong-Min
Keyword(s):  
Electronic Structures ◽  
Theoretical Study ◽  
Photophysical Properties ◽  
Carbon Nanorings

A theoretical study on tuning the electronic structures and photophysical properties of newly designed platinum(ii) complexes by adding substituents on functionalized ligands as highly efficient OLED emitters

2014 ◽  
Vol 43 (17) ◽  
pp. 6500-6512 ◽  
Author(s):  
Luqiong Zhang ◽  
Li Tian ◽  
Ming Li ◽  
Rongxing He ◽  
Wei Shen
Keyword(s):  
Electronic Structures ◽  
Theoretical Study ◽  
Photophysical Properties ◽  
Highly Efficient ◽  
Functionalized Ligands ◽  
Electron Donating Groups

Adding strong π-accepting and electron-donating groups could stabilize MLCT and improve the photophysical properties in platinum(ii) complexes.

On the photophysical properties of a liquid crystal dimer based on 4-nitrostilbene: a combined experimental and theoretical study

2021 ◽  
pp. 116969
Author(s):  
Kristina Gak Simić ◽  
Ivana Đorđević ◽  
Goran Janjić ◽  
Dániel Datz ◽  
Tibor Tóth-Katona ◽  
...  
Keyword(s):  
Liquid Crystal ◽  
Theoretical Study ◽  
Photophysical Properties

scholarly journals An MO-Theoretical Study of the Electronic Structures of Formyloxyl and Acetoxyl Radicals

1977 ◽  
Vol 50 (5) ◽  
pp. 1339-1340 ◽  
Author(s):  
Osamu Kikuchi ◽  
Kayoko Utsumi ◽  
Keizo Suzuki
Keyword(s):  
Electronic Structures ◽  
Theoretical Study

Theoretical study on dinitrogen complexes. Relation between facility of protonation and difference of electronic structures of d6 and d8 complexes

1984 ◽  
Vol 62 (7) ◽  
pp. 1329-1332 ◽  
Author(s):  
Kenzi Hori ◽  
Tokio Yamabe
Keyword(s):  
Electronic Structures ◽  
Theoretical Study ◽  
Nitrogen Molecule ◽  
Dinitrogen Complexes

Electronic structures of different d configurations have been studied in relation to the facility of protonation to dinitrogen ligand in Cr(0) and Co(I) complexes. The d6 Cr complex has much better MO's for protonation than the d8 Co complex. This difference largely affects the protonation energies and the reduction of nitrogen molecule in these complexes.

Sign in / Sign up

Export Citation Format

Share Document