Development of Pyrene Derivatives as Promising n-Type Semiconductors: Synthesis, Structural and Spectral Properties
Development of Pyrene Derivatives as Promising n-Type Semiconductors: Synthesis, Structural and Spectral Properties
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芘衍生物作为有前景的 n 型半导体的开发：合成、结构和光谱特性
DOI：
10.1002/ajoc.201700441
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发表时间：
2017-09
期刊：
影响因子：
--
通讯作者：
Deqing Gao
中科院分区：
文献类型：
--
作者：
Minglun Liu;Xiaojie Gong;Chaoyue Zheng;Deqing Gao
合成了一系列以1，6-，1，8-并带有氰基和二氰基取代的1，6-，1，8-芘-噻吩单取代的n型半导体候选化合物。用核磁共振、元素分析、紫外-可见光谱、光致发光、热重分析、差示扫描量热、循环伏安、密度泛函理论等方法对化合物进行了表征。详细研究了取代位置和取代基类型对分子性质的影响。我们发现，与氰基取代相比，二氰基乙烯取代提高了π共轭体系的共面性。最低空轨道能级(LUMO)位于较深的位置，其中一个LUMO能级低于-4.00 eV，这表明它们可能是n型半导体的候选材料。
A series of promising candidates for n-type semiconductors, which were based on pyrene-thiophene backbone 1,6-, 1,8- and mono-substituted with cyano group and dicyanovinylene moieties, were synthesized. The compounds were characterized with nuclear magnetic resonance (NMR), elemental analysis, UV-vis, photoluminescence (PL), thermal gravimetric analysis (TGA), differential scanning calorimetry (DSC), cyclic voltametry (CV) and Density functional theory (DFT) calculations. The effects of substitution position and substituent type on molecular properties were studied in detail. We found that the dicyanovinylene substitution enhanced the coplanarity of the π-conjugated systems compared with cyano substitution. The lowest unoccupied molecular orbital (LUMO) energy level was located deeply, and one of them had LUMO of below -4.00 eV, indicating that they may be promising candidates of n-type semiconductors.
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