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Molecular design strategies for optimizing the nonlinear optical properties of chiral crystals

机译:优化手性晶体非线性光学性质的分子设计策略

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摘要

A simple theoretical framework is presented to identify the key molecular properties and macromolecular arrangements leading to high second-order nonlinear optical (NLO) activity of chiral crystals. In chiral materials, maximum second harmonic generation (SHG) efficiency is predicted for an antiparallel molecular arrangement of, A-like chromophores. This prediction is in stark contrast to the majority of previous crystal engineering efforts for second-order NLO materials, which have been focused almost exclusively on the construction of crystals exhibiting high degrees of polar order. Methods for possible rational electrostatic control of crystal structure by appropriate molecular design are considered.
机译:提出了一个简单的理论框架来鉴定导致手性晶体的高二阶非线性光学(NLO)活性的关键分子特性和大分子排列。在手性材料中,对于A类生色团的反平行分子排列,可以预测出最大的二次谐波生成(SHG)效率。该预测与先前针对二阶NLO材料的大多数晶体工程工作形成了鲜明的对比,后者几乎完全专注于显示出高极性序的晶体的构造。考虑了通过适当的分子设计对晶体结构进行合理的静电控制的方法。

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