Stimuli-responsive materials have been applied for sensor devices because they can transform and amplify various target stimuli into observable signals. Much effort has been devoted to exploring effective molecular designs for obtaining stimuli-responsive behaviors by taking advantage of the unique optoelectronic properties of π-conjugated molecules involving various elements. This study focuses on the modulation of the electronic state of the π-conjugated scaffolds by the oxidation number change of the hypervalent antimony. This study demonstrate that the strength of the intramolecular interaction between hypervalent antimony and the π-conjugated framework can be tuned with ligand structure, substituent effect, and oxidation number shifts of hypervalent antimony. In particular, the color changes represented by hypsochromic and bathochromic wavelength shifts of optical bands are achieved by the oxidative reaction of hypervalent antimony in the solid state. Significantly, the direction of the color changes can be confidently predicted by quantum chemical calculations. The findings, based on the electronic interaction between π-conjugated scaffolds and hypervalent main-group elements, provide logical design strategies for advanced stimuli-responsive materials.

中文翻译：

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基于高价含锑共轭分子的刺激响应光学材料


刺激响应材料已应用于传感器设备，因为它们可以将各种目标刺激转换和放大为可观察的信号。人们投入了大量精力来探索有效的分子设计，通过利用涉及各种元素的π共轭分子的独特光电特性来获得刺激响应行为。本研究的重点是高价锑的氧化数变化对 π 共轭支架电子状态的调节。本研究表明，高价锑与 π 共轭框架之间的分子内相互作用的强度可以通过高价锑的配体结构、取代基效应和氧化数偏移进行调整。特别是，以光波段的 hypsochromic 和 bathochromic 波长偏移为代表的颜色变化是通过固态高价锑的氧化反应实现的。值得注意的是，可以通过量子化学计算自信地预测颜色变化的方向。这些发现基于 π 共轭支架和高价主族元件之间的电子相互作用，为先进的刺激响应材料提供了逻辑设计策略。