配体(生物化学)
单斜晶系
分子
Crystal(编程语言)
光致发光
结晶学
激发态
材料科学
光化学
晶体结构
化学
光电子学
受体
有机化学
生物化学
计算机科学
物理
核物理学
程序设计语言
出处
期刊:Global heart
[Elsevier BV]
日期:2014-03-01
卷期号:9 (1): e265-e265
标识
DOI:10.1016/j.gheart.2014.03.2172
摘要
The authors synthesized a fluorine-containing Ir(III) complex Ir(PTZ)2(HFD) and the corresponding composite electrospinning fibers [email protected](PTZ)2(HFD), where PTZ, HFD and PVP stood for 2-phenylbenzo[d]thiazole, 1,1,1,5,5,5-hexafluoropentane-2,4-dione and poly(vinylpyrrolidone), respectively. The molecular structure of the Ir(III) complex was confirmed by its single crystal analysis, which suggested that Ir(PTZ)2(HFD) molecules crystallized as monoclinic system with two molecules in each unit cell. Density functional theory calculation on the crystal revealed that the onset electronic transitions possessed a mixed character of metal-to-ligand-charge-transfer (MLCT) and ligand-to-ligand-charge-transfer (LLCT). Ir(PTZ)2(HFD) was then doped into electrospinning fibers so that the photophysical comparison between bulk Ir(PTZ)2(HFD) and composite samples could be performed. It was found that both face-to-face π–π attraction in crystal and the immobilization in PVP host could improve photoluminescence performance by restraining the geometric relaxation of MLCT excited state, showing emission blue shift, longer excited state lifetime and improved photostability.
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