双噻吩基红色发光材料。光物理和DFT研究

Makesh Mohan, M. Satyanarayan, Darshak R. Trivedi
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引用次数: 3

摘要

采用希夫碱缩合反应合成了双噻吩基红色荧光发光材料BTCN,并用标准光谱技术对其进行了表征。-CN取代氨基吡唑单元与噻吩部分共价连接的作用增强了体系的发射强度。在固态中,BTCN的发射波长为651nm, FWHM为170nm。循环伏安图显示,BTCN的HOMO能级为-5.59 eV, LUMO能级约为-3.24 eV。DFT优化的BTCN几何结构具有很高的平面性,TD-DFT估计了系统中发生的电子跃迁的性质。总的来说,BTCN可以作为有机发光应用的良好红色发光材料。采用希夫碱缩合反应合成了双噻吩基红色荧光发光材料BTCN,并用标准光谱技术对其进行了表征。-CN取代氨基吡唑单元与噻吩部分共价连接的作用增强了体系的发射强度。在固态中,BTCN的发射波长为651nm, FWHM为170nm。循环伏安图显示,BTCN的HOMO能级为-5.59 eV, LUMO能级约为-3.24 eV。DFT优化的BTCN几何结构具有很高的平面性,TD-DFT估计了系统中发生的电子跃迁的性质。总的来说,BTCN可以作为有机发光应用的良好红色发光材料。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Bithiophene based red light emitting material - Photophysical and DFT studies
Bithiophene based red fluorescent light emitting material BTCN has been synthesized by Schiff base condensation reaction and characterized by standard spectroscopic techniques. The effect of –CN substituted amino pyrazole unit covalently linked to bithiophene moiety enhances the emission intensity in the system. In solid state BTCN exhibits an emission wavelength of 651 nm with 170 nm FWHM. Cyclic voltammogram shows the HOMO energy level of the BTCN to be -5.59 eV with LUMO around -3.24 eV. DFT optimized geometry of BTCN possesses a high amount of planarity in their structure and TD-DFT estimates the nature of electronic transitions occurring in the system. Overall, BTCN can act as good red light emitting material for organic light emitting applications.Bithiophene based red fluorescent light emitting material BTCN has been synthesized by Schiff base condensation reaction and characterized by standard spectroscopic techniques. The effect of –CN substituted amino pyrazole unit covalently linked to bithiophene moiety enhances the emission intensity in the system. In solid state BTCN exhibits an emission wavelength of 651 nm with 170 nm FWHM. Cyclic voltammogram shows the HOMO energy level of the BTCN to be -5.59 eV with LUMO around -3.24 eV. DFT optimized geometry of BTCN possesses a high amount of planarity in their structure and TD-DFT estimates the nature of electronic transitions occurring in the system. Overall, BTCN can act as good red light emitting material for organic light emitting applications.
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