Tetraphenylethylene-incorporated squaraine dyes: structural and theoretical insights into the diverse emission behaviors in solution and solid state,Journal of Materials Chemistry C

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Tetraphenylethylene-incorporated squaraine dyes: structural and theoretical insights into the diverse emission behaviors in solution and solid state
Journal of Materials Chemistry C ( IF 5.7 ) Pub Date : 2020/02/12 , DOI: 10.1039/c9tc06406k
Qingqing Shao _{1,

2,

3,

4,

5} , Kangli Liang _{1,

2,

3,

4,

5} , Huan Ling _{1,

2,

3,

4} , Yigang Wang _{1,

2,

3,

4,

5} , Zhihong Yan _{3,

4,

6} , Guomin Xia _{1,

2,

3,

4,

6} , Hongming Wang _{1,

2,

3,

4,

7}

Affiliation

Endowing organic dyes with desired emissive behaviors in diverse states is of great importance for broad practical applications, but it remains a huge challenge. In this study, based on the incorporation of tetraphenylethylene (TPE) into squaraine dyes, we successfully synthesized 2TPE-SQ and TPE-SQ and both exhibited dual state emission with emission efficiencies (Φ_PL) up to 0.33 and 0.75, respectively. The intense emission in the crystalline state can be ascribed to highly restricted π–π stacking, while the different degrees of intramolecular phenyl motions in 2TPE-SQ and TPE-SQ result in weak and moderate emissions in solution. Combining density functional theory (DFT) calculations, local excited (LE)/twisted intramolecular charge transfer (TICT) and excited-state intramolecular proton transfer (ESIPT) mechanisms were proposed and accounted well for their very different emission wavelengths in solution and crystalline state, respectively. Besides, other emission behaviors such as aggregation-caused quenching (ACQ), crystalline-induced emission enhancement (CIEE) and thermo-/mechanochromism of these two derivatives were verified in detail, and all these results would bring a new insight into the investigation of organic luminogens in solution and solid state.

中文翻译：

掺入四苯乙烯的方酸菁染料：溶液和固态中多种发射行为的结构和理论见解

使有机染料在各种状态下具有所需的发射行为，对于广泛的实际应用而言非常重要，但仍然是巨大的挑战。在这项研究中，基于四苯基（TPE）的掺入方酸菁染料，我们成功地合成2TPE-SQ和TPE-SQ和与发射效率都显示出双态发射（Φ _PL向上）到分别为0.33和0.75。结晶态的强烈发射可归因于高度受限的π-π堆积，而2TPE-SQ和TPE-SQ中分子内苯基运动的程度不同导致溶液中的微弱和中等排放。结合密度泛函理论（DFT）计算，提出了局部激发（LE）/扭曲分子内电荷转移（TICT）和激发态分子内质子转移（ESIPT）机理，并很好地解释了它们在溶液和晶体状态下的发射波长非常不同，分别。此外，还详细验证了这两种衍生物的其他发射行为，例如聚集引起的猝灭（ACQ），晶体诱导的发射增强（CIEE）和热/机械变色现象，所有这些结果都将为研究碳纳米管带来新的见解。溶液和固态的有机发光剂。

更新日期：2020-04-03

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