氨基噻吩分子微晶中二次谐波发生效率的化学调谐

IF 3.3 3区化学 Q2 CHEMISTRY, PHYSICAL

The Journal of Physical Chemistry C Pub Date : 2024-10-20 DOI:10.1021/acs.jpcc.4c04885

Nikolaj A. Zhestkij, Anastasiia S. Efimova, Maria Timofeeva, Alexander S. Novikov, Irina A. Gorbunova, Daria A. Shipilovskikh, Maksim V. Dmitriev, Sergei A. Shipilovskikh, Valentin A. Milichko

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引用次数: 0

摘要

我们报告了一种用化学方法调节固定非五次对称晶体结构的氨基噻吩基分子晶体（MC）的二次谐波发生（SHG）效率的方法。通过多步合成三种取代的吡咯并[1,2-a]噻吩并[3,2-e]嘧啶，我们设计出了一组具有类似 Pna21 空间群的 MCs，在可控的可见光谱范围内提供稳定的（连续产生 30 分钟以上）SHG。用中性氢和受体氯取代 MC 的供体甲基成分，可使 MC 的超极化率提高 70%，从而使 SHG 效率提高约 400 倍。因此，所报道的化学策略为设计 MC 和调整其 SHG 效率开辟了道路，使其具有与商用非线性光学晶体竞争的能力。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Chemical Tuning of Second Harmonic Generation Efficiency in Aminothiophene-Based Molecular Microcrystals

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Chemical Tuning of Second Harmonic Generation Efficiency in Aminothiophene-Based Molecular Microcrystals

We report on a chemical way to tune the efficiency of second harmonic generation (SHG) by aminothiophene-based molecular crystals (MCs) of a fixed noncentrosymmetric crystal structure. Through the multistep synthesis of three substituted pyrrolo[1,2-a]thieno[3,2-e]pyrimidines, we design a set of MCs of a similar Pna21 space group, providing stable (over 30 min of continuous generation) SHG in a controlled visible spectral range. Substitution of the donor methyl component of the MC with neutral hydrogen and acceptor chlorine leads to an approximately 400-fold increase in SHG efficiency due to 70% growth of the MC's hyperpolarizability. The reported chemical strategy, thereby, opens the way to design MCs and tune their SHG efficiency, being competitive with commercial nonlinear optical crystals.

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来源期刊

The Journal of Physical Chemistry C 化学-材料科学：综合

CiteScore

6.50

自引率

8.10%

发文量

2047

审稿时长

1.8 months

期刊介绍： The Journal of Physical Chemistry A/B/C is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.