Theoretical Investigation of the Effect of N Substitution in C^{^}N and N^{^}N Heteroaromatic Ligands on the Photophysical Properties of Two Series of Iridium(III) Carbene Complexes

Keyphrases

• Photophysical Properties 100%
• Iridium 100%
• Heteroaromatics 100%
• Carbene Complexes 100%
• Absorption Spectra 50%
• Excited States 50%
• Time-dependent Density Functional Theory 50%
• Electric Dipole Moment 50%
• Structure Factor 50%
• Structure Effect 50%
• Steric Factor 50%
• Radiative Rates 50%
• Cyclometalated Iridium(III) Complex 50%
• Emission Color 50%
• Frontier Molecular Orbitals 50%
• Electron Density Distribution 50%

Chemistry

• Iridium 100%
• Carbene 100%
• Density Functional Theory 33%
• Excited State 33%
• Dipole Moment 33%
• Rate Constant 33%
• Electron Density 33%
• Frontier Orbital 33%
• Absorption Spectra 33%