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应用作者报导的反式4,4’-二取代二苯乙烯化合物紫外吸收能量方程进行计算,设计并合成了一系列在指定紫外吸收波长区间有吸收的反式4,4’-二取代二苯乙烯化合物.通过实验测定其紫外吸收能量,比较了文献报导的2个方程的设计合理性,进一步提出了一个三参数的方程,对目标化合物的紫外吸收能量进行计算和设计.结果表明,文献报导的2个方程基本上可以用于分子设计,而新提出的三参数方程的计算值与实验值相关性更好.方法可为二苯乙烯类光学材料的分子设计提供理论参考.
The trans-4,4’-disubstituted stilbene compound UV absorption energy equation reported by the authors was used to calculate and design a series of trans-4,4’-disubstituted diphenyls with absorption in the specified UV absorption wavelength range Ethene compounds.The ultraviolet absorption energy was experimentally determined, the design rationality of the two equations reported in the literature was compared, and a three-parameter equation was further proposed to calculate and design the ultraviolet absorption energy of the target compounds. The results show that, Of the two equations can basically be used for molecular design, and the newly proposed three-parameter equation calculated value is more relevant to the experimental value.Methods for the stilbene optical material molecular design provides a theoretical reference.