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Quantum chemical study on the high nonlinear optical effect of MMONS

机译：MOONS的高非线性光学效应的量子化学研究

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摘要

Nonlinear optical (NLO) materials are increasingly needed along with the development of optoelectronic technique. In recent years there has been a growth of interest in organic materials for their application in the field of nonlinear optics. This isbecause organic double-frequency materials can have much higher nonlinear optical coefficients, shorter response times and higher laser damage thresholds than inorganic materials. The fundamental mechanisms for a molecule to exhibit large NLO response are reasonably understood. It has been found that the second-order molecular nonlinearity of a molecule can be greatly enhanced by charge-transfer transitions. The delocalized electronic systems of the conjugated organic molecules are favorable to the charge-transfer transitions. This suggests that organic conjugated pi-electron molecular NLO materials offer a great promise. Therefore, material scientists focus their attention on the search for new efficient organic NLO materials.
机译：随着光电子技术的发展，越来越需要非线性光学（NLO）材料。近年来，对于有机材料在非线性光学领域中的应用越来越感兴趣。这是因为有机双频材料比无机材料具有更高的非线性光学系数，更短的响应时间和更高的激光损伤阈值。合理地理解了分子表现出大的NLO响应的基本机理。已经发现，通过电荷转移跃迁可以大大增强分子的二级分子非线性。共轭有机分子的离域电子系统有利于电荷转移跃迁。这表明有机共轭π电子分子NLO材料具有广阔的前景。因此，材料科学家将注意力集中在寻找新型高效有机NLO材料上。

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