Theoretical design study on the electronic structure and photophysical properties of a series of osmium(II) complexes with different ancillary ligands

Polyhedron ◽  
2015 ◽  
Vol 85 ◽  
pp. 506-510 ◽  
Author(s):  
Deming Han ◽  
Jian Liu ◽  
Runzhong Miao ◽  
Lihui Zhao ◽  
Gang Zhang
Keyword(s):  
Electronic Structure ◽  
Photophysical Properties ◽  
Design Study ◽  
Ancillary Ligands ◽  
Theoretical Design

Theoretical investigation of the electronic structure and photophysical properties of a series of Ir(iii) complexes bearing pentafluorosulfanyl groups

2019 ◽  
Vol 43 (25) ◽  
pp. 9916-9923 ◽  
Author(s):  
Jing Gao ◽  
Xin Li ◽  
Deming Han ◽  
Jiawei Li ◽  
Xiaohong Shang
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Theoretical Investigation ◽  
Density Functional ◽  
Photophysical Properties ◽  
Emission Spectra ◽  
Time Dependent ◽  
Functional Theory ◽  
Ancillary Ligands ◽  
Dependent Density

The electronic structure, absorption and emission spectra, charge injection/transport ability and phosphorescence quantum efficiency of a series of cyclometalated iridium(iii) complexes with different ancillary ligands are studied using density functional theory (DFT) and time-dependent density functional theory (TDDFT) methods.

Photophysical Properties of N-Methyl and N-Acetyl Substituted Alloxazine: A Theoretical Investigation

2021 ◽  
Author(s):  
Huimin Guo ◽  
Xiaolin Ma ◽  
Zhiwen Lei ◽  
Yang Qiu ◽  
Bernhard Dick ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Theoretical Investigation ◽  
Density Functional ◽  
Photophysical Properties ◽  
Time Dependent ◽  
Functional Theory ◽  
Td Dft ◽  
Dependent Density

The electronic structure and photophysical properties of a series of N-Methyl and N-Acetyl substituted alloxazine (AZs) were investigated with extensive density functional theory (DFT) and time-dependent density functional theory (TD-DFT)...

Cationic Iridium Dendrimers: Synthesis and Photophysical Properties

2011 ◽  
Vol 64 (9) ◽  
pp. 1211 ◽  
Author(s):  
Bin Du ◽  
Si-Chun Yuan ◽  
Jian Pei
Keyword(s):  
Solid State ◽  
Photophysical Properties ◽  
Dendritic Structure ◽  
Benzimidazole Derivatives ◽  
Iridium Complex ◽  
Iridium Complexes ◽  
Efficient Energy Transfer ◽  
Ancillary Ligands ◽  
Synthetic Strategy ◽  
Yellow Orange

Two dendrimers, D1 and D2, containing the cationic iridium complexes (C1 and C2) as cores and truxene-functionalized chromophores as the branches, have been developed by a convergent synthetic strategy. The cationic complexes employ 3-(pyridin-2-yl)-1H-1,2,4-triazole and 2-(pyridin-2-yl)-benzimidazole derivatives as the ancillary ligands. To avoid the change in emission colour arising from the iridium complex, the conjugation between the dendron and the ligand is decoupled by separating them using the alkyl chain. An investigation of their photoluminescent features reveals that efficient energy transfer happens from the dendrons to the core in the solid state. Likewise, the charged dendritic structure is demonstrated to be an efficient method to improve the compatibility between the polar charged iridium complexes and typical hydrophobic hosts with the additional benefit of excellent solution processability. Both dendrimers exhibit strong solvatochromic behaviours in solvents and exclusive green and yellow-orange light in the solid state.

Influence of ancillary ligands on the electronic structure and anion sensing features of ligand bridged diruthenium complexes

2013 ◽  
Vol 42 (37) ◽  
pp. 13733 ◽  
Author(s):  
Ankita Das ◽  
Tanaya Kundu ◽  
Shaikh M. Mobin ◽  
José Luis Priego ◽  
Reyes Jiménez-Aparicio ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Anion Sensing ◽  
Ancillary Ligands

Effect of fluorine substitution of the β-ketoiminate ancillary ligand on photophysical properties and electroluminescence ability of new iridium(iii) complexes

2018 ◽  
Vol 6 (32) ◽  
pp. 8688-8708 ◽  
Author(s):  
Ewelina Witkowska ◽  
Gabriela Wiosna-Salyga ◽  
Ireneusz Glowacki ◽  
Bartosz Orwat ◽  
Myong-joon Oh ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photophysical Properties ◽  
Ancillary Ligand ◽  
Fluorine Substitution

The influence and emissive properties of N,O-donating ligands with fluorinatedN-aryl moieties on the electronic structure of complexes of the formula [Ir(bzq)2(O∧N)] are reported.

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