Synthesis and Characterisation of Fused Heterocyclic Molecular Rods: A Combined Experimental and Theoretical Study on Diethynyl Dithienothiophenyl Derivatives
Synthesis and Characterisation of Fused Heterocyclic Molecular Rods: A Combined Experimental and Theoretical Study on Diethynyl Dithienothiophenyl Derivatives
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稠合杂环分子棒的合成与表征：二乙炔基二噻吩并噻吩衍生物的实验与理论相结合研究
DOI：
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发表时间：
2017
期刊：
影响因子：
--
通讯作者：
Long Lin
中科院分区：
文献类型：
--
作者：
Leighton O. Jones;C. Pask;A. Kazlauciunas;M. Gulcur;Long Lin
合成了一种结构和电子多样性的对称二乙炔基二噻吩并噻吩（DTT）分子棒，并利用光学和热分析对其性质进行了充分表征，并与密度泛函理论（DFT）计算相结合。发现一些结构在高达381 °C下是稳定的。由于衍生物和取代基的性质，可以微调诸如供电子能力和热稳定性的物理性质，以产生合理设计的材料，所有这些材料在普通有机溶剂中具有优异的溶解性。单晶X射线结构显示，大体积甲硅烷基和线性烷基衍生物在相邻分子之间产生规则的横向紧密堆积，适用于有机薄膜晶体管（OTFT）中的电荷转移，而没有烷基链的相同乙炔基衍生物产生非平面互连结构，因此不适用于OTFT。这些空气稳定的富含电子的基于DTT的分子棒具有作为有机半导体用于有机电子应用的强大潜力。
A structural and electronic diversity of symmetric diethynyl dithienothiophenyl (DTT) molecular rods were synthesised and their properties fully characterised using optical and thermal analysis and complemented with density functional theory (DFT) calculations. It was found that some structures are stable up to 381 °C. Due to the nature of both the derivative and the substituent, physical properties such as electron donating ability and thermal stability can be fine-tuned to generate rationally designed materials, all of which have excellent solubility in common organic solvents. The single-crystal x-ray structures revealed that both bulky silyl and linear alkyl derivatives generate regular lateral close packing between the adjacent molecules, suitable for charge-transfer in organic thin-film transistors (OTFTs), whereas the same ethynyl derivative without an alkyl chain gives a non-planar interlinking structure and thus unsuitable for OTFTs. These air-stable electron rich DTT-based molecular rods have strong potential as organic semiconductors for organic electronic applications.
DOI：
10.1021/acs.joc.5b01648
发表时间：
2010-08
期刊：
The Journal of organic chemistry
影响因子：
--
作者：
Thomas P. Willumstad;Paul D. Boudreau;R. Danheiser
通讯作者：
Thomas P. Willumstad;Paul D. Boudreau;R. Danheiser
2,4,6-三芳基硫属吡咯鎓染料在结构上与抗肿瘤剂 AA1 相关，作为癌症光动力疗法的体外敏化剂。
影响因子：
7.3
作者：
Leonard,KA;Nelen,MI;Anderson,LT;Gibson,SL;Hilf,R;Detty,MR
通讯作者：
Detty,MR