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A compact tetrathiafulvalene-benzothiadiazole dyad and its highly symmetrical charge-transfer salt: Ordered donor p-stacks closely bound to their acceptors

機譯：緊密的四硫富瓦烯 - 苯并噻二唑二元體及其高度對稱的電荷轉(zhuǎn)移鹽：有序供體p-堆疊與它們的受體緊密結(jié)合

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A compact and planar donor-acceptor molecule 1 comprising tetrathiafulvalene (TTF) and benzothiadiazole (BTD) units has been synthesised and experimentally characterised by structural, optical, and electrochemical methods. Solution-processed and thermally evaporated thin films of 1 have also been explored as active materials in organic field-effect transistors (OFETs). For these devices, hole field-effect mobilities of μFE=(1. 3±0.5)×10-3 and (2.7±0.4)×10-3 cm2 V s-1 were determined for the solution-processed and thermally evaporated thin films, respectively. An intense intramolecular charge-transfer (ICT) transition at around 495 nm dominates the optical absorption spectrum of the neutral dyad, which also shows a weak emission from its ICT state. The iodine-induced oxidation of 1 leads to a partially oxidised crystalline charge-transfer (CT) salt {(1)2I3}, and eventually also to a fully oxidised compound {1I3} 1/2I2. Single crystals of the former CT compound, exhibiting a highly symmetrical crystal structure, reveal a fairly good room temperature electrical conductivity of the order of 2 S cm-1. The one-dimensional spin system bears compactly bonded BTD acceptors (spatial localisation of the LUMO) along its ridge. ? 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

機譯：合成了包含四硫富瓦烯（TTF）和苯并噻二唑（BTD）單元的緊湊且平面的供體-受體分子1，并通過結(jié)構(gòu)，光學和電化學方法進行了實驗表征。在有機場效應晶體管（OFET）中，還研究了固溶處理和熱蒸發(fā)的1薄膜作為活性材料。對于這些器件，對于固溶處理和熱蒸發(fā)的薄膜，其空穴場遷移率μFE=（1. 3±0.5）×10-3和（2.7±0.4）×10-3 cm2 V s-1 ，分別。大約495 nm處的強烈分子內(nèi)電荷轉(zhuǎn)移（ICT）躍遷主導了中性二元組的光吸收光譜，這也顯示了其ICT狀態(tài)的微弱發(fā)射。碘誘導的1氧化會導致部分氧化的晶體電荷轉(zhuǎn)移（CT）鹽{（1）2I3}，最終還會導致完全氧化的化合物{1I3} 1 / 2I2。前一種CT化合物的單晶具有高度對稱的晶體結(jié)構(gòu)，具有相當好的室溫電導率，約為2 S cm-1。一維自旋系統(tǒng)沿其脊部帶有緊密結(jié)合的BTD受體（LUMO的空間定位）。 ?2014 WILEY-VCH Verlag GmbH＆Co. KGaA，Weinheim。