Synthesis, structure and properties of a novel iridium(III) pyrimidine complex

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• 作者：Zhi-Qiang Wang^a ; Chen Xu^a ; ^{xubohan@163.com} ; Xin-Ming Dong^b ; Ya-Peng Zhang^b ; Xin-Qi Hao^b ; Jun-Fang Gong^b ; Mao-Ping Song^b ; Bao-Ming Ji^a ; ^{lyhxxjbm@126.com}
• 关键词：Iridium(III) complexes ; Phosphorescence ; Cl-bridged dimer ; Pyrimidine ; Crystal structures
• 刊名：Inorganic Chemistry Communications
• 出版年：2011
• 出版时间：January 2011
• 年：2011
• 卷：14
• 期：1
• 页码：316-319
• 全文大小：467 K

文摘

An iridium(III) pyrimidine complex Ir(NDMP)₂acac (NDMP = 2-(2-naphthyl)-4,6-dimethylpyrimidine, acac = acetylacetonate) was synthesized and characterized by ¹H NMR, ¹³C NMR, MALDI-TOF mass spectrometry and elemental analysis. An unexpected mononuclear complex Ir(NDMP)₂(Cl)(H₂O) was obtained in the process of preparing the Cl-bridged dimer [Ir(NDMP)₂Cl]₂. The crystal structures of these complexes were determined by X-ray single crystal diffraction and contrastively studied. The photoluminescence spectrum of Ir(NDMP)₂acac exhibits a yellow emission at 560 nm. The HOMO and LUMO energy levels of Ir(NDMP)₂acac were calculated to be − 5.14 eV and − 2.80 eV respectively.