Relativistic Study on Emission Mechanism in Tris(2-phenylpyridine)iridium
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- 作者：Takeshi Matsushita ; Toshio Asada ; Shiro Koseki
- 刊名：Journal of Physical Chemistry C
- 出版年：2007
- 出版时间：May 10, 2007
- 年：2007
- 卷：111
- 期：18
- 页码：6897 - 6903
- 全文大小：202K
- 年卷期：v.111,no.18(May 10, 2007)
- ISSN：1932-7455
文摘
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, theradiative transitions could occur easily from low-lying spin-mixed states to the lowest spin-mixed state (groundstate), where the low-lying spin-mixed states mainly have a triplet character. On the basis of the assumptionthat radiative processes obey Fermi's Golden rule, large transition probabilities are obtained between thesublevels of the adiabatic lowest triplet state (T1) and the ground state (S0), and phosphorescence is expectedto be observed in this complex. This result is in good agreement with experimental reports.