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本文对水化与非水化２－乙基己基磷酸单－２－乙基已基酯钠盐在简化结构的假定下进行了简正分析，给出了谱带的指认；并利用ＣＮＤＯ／２方法进行了红外吸收强度计算。结果表明该分子在水化后Ｐ＝Ｏ和Ｐ—Ｏ—Ｃ谱带的吸收强度都增加，经过四个实际样品的检验证明港带强度增加的计算值与实验值符合很好。这一结果为应用极性基团红外谱带强度变化来研究其水化作用提供了理论基础。
In this paper, the simple analysis of the hydrated and non-hydrated 2-ethylhexyl 2-ethylhexyl phosphate mono-2-ethylhexyl ester sodium salt was given under the simplified structure, and the identification of the band was given. The CNDO / 2 Methods Infrared absorption intensity calculation. The results show that the absorption intensity of P = O and P-O-C bands of the molecule increases after hydration, and the test of four actual samples shows that the calculation of the increase of the intensity of the harbor zone is in good agreement with the experimental value. This result provides a theoretical basis for the study of hydration using the change of the intensity of the infrared band of the polar group.