Theoretical investigation of the effects of N-substitution on the photophysical properties of two series of iridium(iii) complexes

2015 ◽  
Vol 39 (4) ◽  
pp. 2588-2595 ◽  
Author(s):  
Xiaohong Shang ◽  
Deming Han ◽  
Qing Zhan ◽  
Defeng Zhou ◽  
Gang Zhang
Keyword(s):  
Quantum Efficiency ◽  
Theoretical Investigation ◽  
Photophysical Properties ◽  
Emission Color

The effects of N-substitution on the photophysical properties of two series of iridium(iii) complexes have been theoretically investigated, which can tune the emission color and enhance the photoluminescence quantum efficiency.

The effect of the embedded o-carborane ligand on the photophysical properties of a cyclometalated Pt(ii) complex: a theoretical investigation

2018 ◽  
Vol 5 (5) ◽  
pp. 1016-1025 ◽  
Author(s):  
Yu Zhang ◽  
Zhi-Xiang Zhang ◽  
Yu Wang ◽  
Hui Li ◽  
Fu-Quan Bai ◽  
...  
Keyword(s):  
Quantum Efficiency ◽  
Theoretical Investigation ◽  
Photophysical Properties ◽  
Highly Efficient ◽  
Carborane Ligand ◽  
Blue Phosphorescent

The embedded o-carborane ligands will have an impact on the photophysical properties and quantum efficiency of these highly efficient blue phosphorescent materials.

Synthesis of 1,2,3-Triazole-Fused Indole Derivatives via Copper-Catalyzed Cascade Reaction

Synthesis ◽  
2021 ◽  
Author(s):  
Fengtao Zhou ◽  
Qiuyu Zhang ◽  
Kashif Majeed ◽  
Bangjie Liu
Keyword(s):  
Quantum Efficiency ◽  
Photophysical Properties ◽  
Cascade Reaction ◽  
Tandem Reaction ◽  
Indole Derivatives ◽  
Wide Range

AbstractA copper-catalyzed tandem reaction has been developed for the synthesis of 1,2,3-triazole-fused indole derivatives. This protocol allowed us to access a wide range of 1,2,3-triazole-fused indole derivatives in moderate to excellent yields. The 1,2,3-triazole-fused indole derivatives emit blue and greenish light when excited at 365 nm. The products were further explored for their quantum efficiency and photophysical properties.

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)...

Photoactive Homomolecular bis(n)-Lophine dyads: Multicomponent synthesis, Photophysical properties, Theoretical investigation, Docking and interaction studies with biomacromolecules

2021 ◽  
pp. 118084
Author(s):  
Viktor Saraiva Câmara ◽  
Otávio Augusto Chaves ◽  
Bruno Bercini de Araújo ◽  
Paulo Fernando Bruno Gonçalves ◽  
Bernardo Almeida Iglesias ◽  
...  
Keyword(s):  
Theoretical Investigation ◽  
Photophysical Properties ◽  
Multicomponent Synthesis ◽  
Interaction Studies

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.

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