噻吩
无水的
聚合
共聚物
甲苯
高分子化学
聚合物
甲醇
材料科学
密度泛函理论
轨道能级差
化学
计算化学
有机化学
分子
作者
Chanitpa Khantha,Thanisorn Yakhanthip,Christopher M. MacNeill,Philaiwan Pornprasit,Viruntachar Kruefu,Nawee Kungwan,Robert C. Coffin,Sukon Phanichphant,David Carroll
标识
DOI:10.1080/15421406.2013.803430
摘要
Synthesis of poly(2-hexylthieno[3,4-b]thiophene-co-4,8-didodecyloxybenzo[1,2-b:4, 5-b′]dithiophene) (PTB) is presented using a simple and low cost method. Anhydrous DMF and toluene was added into the mixture of 4,6-dibromo-2-hexylthieno[3,4-b] thiophene,2,6-Bis(trimethyltin)-4,8-didodecyloxybenzo[1,2-b:4,5-b′]dithiophene and Pd(PPh3)4. The polymerization was carried out at 120°C for 12 h. The PTB product was precipitated in methanol and dried in vacuum. The HOMO and LUMO energies of the polymer were calculated using Density Functional Theory (DFT) calculations to be compared with the experimental results.
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