Abstract
The mechanisms of radiative processes from electronically excited states were investigated for tris(2-phenylpyridine)iridium [Ir(ppy)3]. It was found that low-lying excited singlet and triplet states in the facial (fac) isomer are strongly mixed with each other by spin−orbit coupling (SOC) effects and, as a result, the radiative transitions could occur easily from low-lying spin-mixed states to the lowest spin-mixed state (ground state), where the low-lying spin-mixed states mainly have a triplet character. On the basis of the assumption that radiative processes obey Fermi's Golden rule, large transition probabilities are obtained between the sublevels of the adiabatic lowest triplet state (T1) and the ground state (S0), and phosphorescence is expected to be observed in this complex. This result is in good agreement with experimental reports.
Published Version
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