發(fā)布時(shí)間：2018-10-09 21:20

【摘要】：設(shè)計(jì)并合成了一系列新型吩噻嗪(或三苯胺)-取代的咪唑類有機(jī)熒光小分子,通過紫外-可見、熒光和電化學(xué)法分析了其光致發(fā)光性能和結(jié)構(gòu)的關(guān)系.采用密度泛函(DFT)理論(B3LYP/6-31G(d)計(jì)算基組)計(jì)算了該化合物的最高占據(jù)分子軌道(HOMO)和最低未占分子軌道(LUMO)分布.產(chǎn)物的高熒光量子產(chǎn)率、高HOMO能級(jí)和高的熱穩(wěn)定性表明:咪唑和吩噻嗪或三苯胺的結(jié)合可有效提高產(chǎn)物空穴傳輸能力和熒光量子產(chǎn)率.
[Abstract]:A series of novel phenothiazine (or trianiline) substituted imidazole organic fluorescent molecules were designed and synthesized. The relationship between photoluminescence properties and structures was analyzed by UV-Vis, fluorescence and electrochemical methods. The density functional (DFT) theory (B3LYP/6-31G (d) basis set) was used to calculate the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) distribution of the compound. The high fluorescence quantum yield, high HOMO level and high thermal stability show that the combination of imidazole and phenothiazine or trianiline can effectively improve the hole transport ability and fluorescence quantum yield of the product.
【作者單位】： 江蘇師范大學(xué)化學(xué)化工學(xué)院;江蘇藥食植物生物技術(shù)國(guó)家重點(diǎn)實(shí)驗(yàn)室培育點(diǎn);
【基金】：國(guó)家自然科學(xué)基金(No.81302643) 中國(guó)博士后科學(xué)基金面上基金(No.2014M552374)資助項(xiàng)目~~
【分類號(hào)】：O626
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本文編號(hào)：2260834