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An approach to discovering novel exciplex supramolecular complex based on carbazole-containing 1,8-naphthalimide
Dyes and Pigments ( IF 4.5 ) Pub Date : 2017-10-13 , DOI: 10.1016/j.dyepig.2017.10.013
Mykola Bezuglyi , Khrystyna Ivaniuk , Dmytro Volyniuk , Juozas V. Gražulevičius , Gintautas Bagdžiūnas

A new luminescent ambipolar semiconductor consisting of 1,8-naphthalimide as an electron-accepting moiety and carbazole as an electron-donating moiety has been synthesized and characterized. The synthesized compound as ambipolar semiconductor has been investigated by using density functional theory calculations coupled with the charge-hopping model and the time-of-flight experimental method. The time-of-flight hole and electron drift mobilities in the synthesized material's layer approached about 10−4 cm2 V−1 s−1 at high electric fields. The exciplex complex is stabilized by the intermolecular hydrogen bond and electron donor-acceptor interactions. The energy of interactions between the molecules in the exciplex complex has been estimated to be about −100 kJ mol−1 by DFT. Non-doped emissive layer organic light-emitting diode (OLED) using the synthesized compound as an emitter exhibited an orange color emission with the Commission International de L'Eclairage chromaticity coordinates of (0.47, 0.49).



中文翻译:

基于含咔唑的1,8-萘二甲酰亚胺发现新型激基复合物超分子复合物的方法

合成并表征了一种新的发光双极性半导体,该半导体由1,8-萘二甲酰亚胺作为电子接受部分和咔唑作为供电子部分组成。通过使用密度泛函理论计算,电荷跳跃模型和飞行时间实验方法,研究了作为双极性半导体的合成化合物。合成材料层中的飞行时间空穴和电子漂移迁移率接近约10 -4  cm 2  V -1  s -1在高电场下。激基复合物通过分子间氢键和电子供体-受体相互作用而稳定。 通过DFT估计了激基复合物复合物中的分子之间的相互作用的能量为约-100kJ mol -1。使用合成的化合物作为发光体的非掺杂发光层有机发光二极管(OLED)呈现橙色发光,其国际照明委员会色度坐标为(0.47,0.49)。

更新日期:2017-10-13
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