文章信息/Info

Title:

Research on Fluorinated Small Molecule Organic Materials

作者:

于躍; 李戰峰; 焦博; 馬琳; 吳朝新

陜西省信息光子技術重點實驗室 電子科學與技術系 電信學院 西安交通大學, 西安 710049

Author(s):

YU yue;  LI zhanfeng;  JIAO bo;  MA lin;  WU zhaoxin

 Key Laboratory of Photonics Technology for Information School of Electronic and Information Engineering, Xi’an Jiaotong University, Xi’an 710049

關鍵詞:

有機電致發光器件; 氟代; 藍光材料; 量化計算

DOI:

10.7502/j.issn.1674-3962.2014.12.03

文獻標志碼:

A

摘要:

有機電致發光材料是有機電致發光器件的基本與核心，發展新型有機光電材料也是國際上此領域的熱點。在過去的幾十年里，氟化通過降低能級被用來增強小分子或者聚合物的穩定性，電子傳輸和雙極傳輸性能，尤其是在有機發光二極管中，特別是C–H???F相互作用（類似氫鍵）在固態堆積時具有重要的作用，能引起典型的?-堆積排列方式，從而增強電荷遷移率。我們系統地研究了不同位置和數目取代的氟或三氟甲基等吸電子基團對不同材料體系吸收與發射光譜、HOMO/LUMO能級、熱性質以及材料的空穴傳輸和發光性能的影響，同時運用量化計算進行了相應的理論分析，最終發展了一系列新型空穴傳輸材料、雙極性的主體材料以及深藍光的熒光客體材料。

Abstract:

The relevance of fluoro compounds in science as well as in everyday life is increasing year by year, this class of compounds is of importance for all parts of our daily life. Special interest attaches to several classes of fluorinated molecules such as pharmaceutical compounds and functional materials of importance in various applied fields. Fluorination has been used in the past decade as a route to induce stability and electron transport or ambipolar transport in organics by lowering the energy levels in the small molecules or polymers, especially for OLEDs. Moreover, the C–H???F interactions, similar to a hydrogen bond, play an important role in the solid state organization of fluorine compounds bearing both C–F and C–H bonds, originating a typical ?-stack arrangement which enhances the charge carrier mobility. We systematically studied the effect of different fluorine groups on the absorption and fluorescence spectra, energy levels (HOMO/LUMO), thermal stability as well as the hole-transport and luminescent ability of the different materials in experiment and theory, especially by theoretical calculations employing the B3LYP functional.