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首页> 外文期刊>Journal of Photochemistry and Photobiology, A. Chemistry >Phenanthro[9 ',10 ':4,5]imidazo[2,1-a]isoquinoline derivatives containing phenoxazine moiety: Synthesis and photophysical properties
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Phenanthro[9 ',10 ':4,5]imidazo[2,1-a]isoquinoline derivatives containing phenoxazine moiety: Synthesis and photophysical properties

机译:菲唑[9',10':4,5]咪唑[2,1-A]异喹啉衍生物含有苯氧嗪部分:合成和光物理性质

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摘要

Two novel phenanthro[9',10':4,5]imidazo[2,1-a]isoquinoline derivatives containing phenoxazine moiety were synthesized and characterized by elemental analysis, NMR, MS and FT-IR spectra. Their structures were characterized by single crystal X-ray diffraction. Their photophysical and electrochemical properties and thermal stabilities were investigated systematically. The ground state geometries and electronic distributions in HOMO and LUMO energy levels of the phenanthro[9',10':4,5]imidazo[2,1-a]isoquinoline derivatives were calculated by density functional theory (DFT) and time-dependent density functional theory (TD-DFT) at B3LYP/6-31G(d) level.
机译:合成含有苯氧嗪部分的两种新菲苯属[9',10':4,5]咪唑[2,1 -A]异喹啉衍生物,并通过元素分析,NMR,MS和FT-IR光谱来表征。 它们的结构特征是单晶X射线衍射的特征。 它们系统地研究了它们的光物理和电化学性能和热稳定性。 HOMOO和LUMO能量水平的地面态几何和电子分布[9',10':4,5]咪唑胺[2,1-a]异喹啉衍生物通过密度函数理论(DFT)和时间依赖来计算 密度函数理论(TD-DFT)在B3LYP / 6-31G(D)水平。

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