In comparison with the results of the red/blue shift of the absorption and emission spectra, we can see that the red-shift of absorption and emission spectra is likely to be significant when introducing the electron-donating groups into the bottom (more negative carbon) positions, and/or when introducing the electron-withdrawing groups into the peak positions of the CDW-like structure.
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Quantum Chemical Design Guidelines for Absorption and Emission Color Tuning of fac-Ir(ppy)₃ Complexes.
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