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首页> 外文期刊>RSC Advances >Comparison of nonlinear optical chromophores containing different conjugated electron-bridges: the relationship between molecular structure-properties and macroscopic electro-optic activities of materials
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Comparison of nonlinear optical chromophores containing different conjugated electron-bridges: the relationship between molecular structure-properties and macroscopic electro-optic activities of materials

机译：包含不同共轭电子桥的非线性光学发色团的比较：分子结构性质与材料的宏观电光活性之间的关系

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摘要

In electro-optic (EO) materials, realization of large EO coefficients for organic EO materials requires the simultaneous optimization of chromophore first hyperpolarizability, acentric order, molecular shape etc. As these parameters are complicatedly inter-related, thorough analyses are required to understand the dependence of macroscopic EO activity upon chromophore structure and property. Herein, we presented the synthesis of three chromophores containing different conjugated electron-bridges by acidic and alkaline formylation. Electron-rich moieties thiophene and formyl-thiophene in the different positions of chromophores played the different roles of electron-bridge, site-isolator and electron-isolator, generating intriguing property variations of electron distribution of push-pull structure, intramolecular charge-transfer, solvatochromism, microscopic hyperpolarizability and related density functional theory calculation results. In addition these molecular structure-property relationships were rationally related to the EO activities to understand the impact of microscopic molecular property on macroscopic EO activities of materials.
机译：在电光（EO）材料中，要实现有机EO材料的大EO系数，需要同时优化生色团首先的超极化性，无心次序，分子形状等。由于这些参数之间相互联系复杂，因此需要进行深入分析才能理解宏观EO活性对发色团结构和性质的依赖性。在这里，我们提出了通过酸性和碱性甲酰化合成三种包含不同共轭电子桥的生色团。发色团不同位置的富电子部分噻吩和甲酰基噻吩起电子桥，位点隔离剂和电子隔离剂的不同作用，产生推挽结构电子分布，分子内电荷转移，溶剂变色，显微超极化性和相关的密度泛函理论计算结果。另外，这些分子结构-性质关系与EO活性合理相关，以了解微观分子性质对材料的宏观EO活性的影响。

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