Shedding light on the photophysical properties of iridium(iii) complexes with a dicyclometalated phosphate ligand via N-substitution from a theoretical viewpoint

Keyphrases

• Photophysical Properties 100%
• Phosphorescence 100%
• Iridium 100%
• Frontier Molecular Orbitals 100%
• Phosphate Ligands 100%
• Electronic Structure 50%
• Density Functional Theory 50%
• Absorption Spectra 50%
• Triazole 50%
• Blue-emitting 50%
• Time-dependent Density Functional Theory 50%
• 3-group 50%
• Geometrical Structure 50%
• High Quantum Efficiency 50%
• Radiative Decay 50%
• Decay Constant 50%
• Emission Color 50%
• N-substituent 50%
• High Quantum Yield 50%
• Electron Density Distribution 50%

Chemistry

• Blue 100%
• Iridium 100%
• Frontier Orbital 100%
• Electronic State 50%
• Density Functional Theory 50%
• Electron Density 50%
• Time-Dependent Density Functional Theory 50%
• Quantum Yield 50%
• Excited Triplet State 50%
• Triazole 50%

Material Science

• Density 100%
• Iridium 100%
• Carrier Concentration 50%