近期的研究仍主要以 [2+2+2] 銥金屬錯合物為主，故我們為了增加分子剛性、提升效率，故我們集中於 [3+3] 銥金屬錯合物的研究。而本次更改結構 pyridine 而以 pyrimidine 取代，因 pyrimidine 結構可有效提高 3MLCT 的貢獻，進而增加效率，且 pyrimidine 多的一個電負度大 N 可增加苯環上的缺電子性質，而增進電子注入效率、提升元件效率。故在本篇論文中我們探討以 pyrimidine 為主架構的負二價配位基相關光物理性質、元件效率。故在第一系列中我們討論與 < 圖 1 > 中 1.1 結構相似的錯合物，並嘗試更換官能基觀察其變化；第二系列則是如 < 圖 1 > 中 2.1 結構相似的錯合物結構，可見 1.1、2.1 差在其 pyrimidine 上 2 號位的官能基不同，此類改變就使光物理性質有明顯改變；而第三系列則引入斷共軛系統，來使光色藍移以得到我們所期望的藍光磷光材料。

Studies on iridium metal complexes for efficient organic light-emitting diodes (OLEDs) have mainly focused on [2+2+2] system, i.e. with tris-bidentate architecture, while the studies of [3+3] system, bis-tridentate architecture, remained very rare. In this thesis, we aim to investigate the distinctive functionalized chromophore and to elucidate their resulting photophysical properties as well as as-fabricated device performances in a systematical fashion. As the pyridine-based chelating ligands were changed to pyrimidine-based chelates, one can anticipate to possess higher contribution of 3MLCT and enhance electron mobility by addition of one more electronegative nitrogen atom. Moreover, two types of functionalized position, i.e. 2-position attach different functional group, as show in the < pic 1 >. Otherwise, we separated the two groups into two series. In third series, phenoxy group was incorporated in pyrimidine ligands to tune emission color into true-blue region, which is based on the higher ligand-centered energy gap proposed for these chelates. Finally, for understanding their inherent photo-stabilities, these three classes of pyrimidine-based iridium complexes were subject to UV-irradiation in degassed toluene by Altas Suntest CPS+ instrument. With this systematical research effect, hopefully, we can provide useful concepts to pave the research path that could lead to more efficient and stable OLED phosphors.

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