Kajjam Aravind Babu, Kumar P Shyam Vinod, Subramanian V, Vaidyanathan Sivakumar
Department of Chemistry, National Institute of Technology, Rourkela 769 008, India.
Phys Chem Chem Phys. 2018 Feb 7;20(6):4490-4501. doi: 10.1039/c7cp08670a.
Six novel yellowish-orange light emitting dye molecules consisting of an electron deficient phenone (acceptor) linked to triphenylamine (donor), were designed and synthesized. The photophysical and electrochemical properties of the dyes were systematically investigated and examined using DFT calculations. All the synthesized dye materials have shown high quantum yields (ranging from 0.35to0.74%). The dyes emitted intense yellowish-orange (x = 0.427, y = 0.481) to orange color (x = 0.511, y = 0.484) with appropriate CIE color coordinates. The synthesised dyes were used for generating white light by fabricating white LEDs. Among all hybrid white LED devices TPA-2 has shown bright white emission with CIE color coordinates x = 0.32, y = 0.33. Theoretical calculations have been performed to explore the optical, electronic, charge transport, and stability properties of the TPA derivatives as charge transport and emissive materials for organic light emitting devices (OLEDs). The results show that, all the derivatives are highly luminescent and their hole transport performances are more favourable than their electron transport performances. So these materials can be used as hole transport materials for OLEDs.
设计并合成了六种新型的橙黄色发光染料分子,它们由与三苯胺(供体)相连的缺电子苯乙酮(受体)组成。使用密度泛函理论(DFT)计算系统地研究和检测了这些染料的光物理和电化学性质。所有合成的染料材料都显示出高量子产率(范围从0.35%到0.74%)。这些染料发出强烈的橙黄色(x = 0.427,y = 0.481)到橙色(x = 0.511,y = 0.484),具有合适的CIE色坐标。合成的染料用于通过制造白色发光二极管(LED)来产生白光。在所有混合白色LED器件中,TPA - 2显示出明亮的白色发射,CIE色坐标为x = 0.32,y = 0.33。已经进行了理论计算,以探索作为有机发光器件(OLED)的电荷传输和发光材料的TPA衍生物的光学、电子、电荷传输和稳定性性质。结果表明,所有衍生物都具有高发光性,并且它们的空穴传输性能比电子传输性能更有利。因此,这些材料可作为OLED的空穴传输材料。