A series of new push–pull chromophores based on a combined cyclopenta[c ]thiophene‐4,6‐dione (ThDione) acceptor, N ,N‐dimethylaniline, N‐piperidinylthiophene or ferrocene donors, and ethylene or buta‐1,3‐dienylene π‐linkers has been designed and synthesized. Utilizing one or two ThDione acceptors afforded linear or branched push–pull molecules. Experimental and theoretical study of their fundamental properties revealed thermal robustness up to 260 °C, a electrochemical/optical HOMO–LUMO gap that is tunable within the range of 1.47–2.19/1.99–2.39 eV, and thorough elucidation of structure–property relationships. Compared to currently available portfolio of heterocyclic electron‐withdrawing units, ThDione proved to be a powerful and versatile acceptor unit. It imparts significant intramolecular charge transfer and polarizes the π‐system, which results in enhanced (non)linear optical response.

中文翻译：

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ThDione：推挽分子的强大电子吸收部分。

基于组合环戊二烯并[一系列新的推挽生色团Ç ]噻吩-4,6-二酮（ThDione）受体，Ñ，Ñ二甲基苯胺，Ñ设计并合成了哌啶基噻吩或二茂铁供体，以及乙烯或1,3-二烯二烯π-连接基。利用一个或两个ThDione受体提供线性或分支的推挽分子。对它们基本特性的实验和理论研究表明，其最高温度可达260°C，电化学/光学HOMO–LUMO间隙在1.47–2.19 / 1.99–2.39 eV范围内可调，并且彻底阐明了结构与性质之间的关系。与目前可用的杂环吸电子单元组合相比，ThDione被证明是功能强大且用途广泛的受体单元。它赋予分子内大量电荷转移，并使π系统极化，从而增强（非线性）光学响应。