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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Quantitative Information about the Hydrogen Bond Strength in Dilute Aqueous Solutions of Methanol from the Temperature Dependence of the Raman Spectra of the Decoupled OD Stretch
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Quantitative Information about the Hydrogen Bond Strength in Dilute Aqueous Solutions of Methanol from the Temperature Dependence of the Raman Spectra of the Decoupled OD Stretch

机译：从解耦OD拉伸的拉曼光谱对温度的依赖关系，了解甲醇稀水溶液中氢键强度的定量信息

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摘要

We have obtained quantitative information about the hydrogen bond strength in pure water and in dilute aqueous solutions of methanol by analyzing the temperature dependence of Raman spectra of the decoupled OD stretch from 21 to 160 deg C with the hydrogen bond energy dispersion method.A minimum at 2440 cm~(-1) assigned to strong icelike hydrogen bonds and a maximum at 2650 cm~(-1) due to maximally (but not completely) broken hydrogen bonds result in all cases.The energy of the minimum decreases upon addition of methanol due to formation of stronger water-methanol hydrogen bonds,whereas the energy of the maximum increases because water hydrogen atoms in the vicinity of the methyl group might participate in "more broken" hydrogen bonds than in bulk water.
机译：通过使用氢键能量分散方法分析从21到160摄氏度解耦的OD拉伸的拉曼光谱的温度依赖性，我们获得了纯水和甲醇稀水溶液中氢键强度的定量信息。在所有情况下都会产生2440 cm〜（-1）的强冰状氢键，并且由于最大（但不是完全）断裂的氢键而导致最大值在2650 cm〜（-1）。由于形成了更强的水-甲醇氢键，而最大能量却增加了，因为与附近的水相比，甲基附近的水氢原子可能会参与“更断裂的”氢键。

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