Analysis of hydrogen bonds is water using spectrum decomposition technique applied to near-infrared absorption spectra.
Analysis of hydrogen bonds is water using spectrum decomposition technique applied to near-infrared absorption spectra.
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水氢键的分析是利用光谱分解技术应用于近红外吸收光谱。
DOI：
10.5111/bunkou.44.247
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发表时间：
1995
期刊：
影响因子：
--
通讯作者：
M. Iwamoto
中科院分区：
文献类型：
--
作者：
H. Abe;T. Kusama;S. Kawano;M. Iwamoto
在不同温度下（-120 ° C至75°C）测量了水的OH振动的第二泛音的吸收带。我们采用光谱分解技术分析了该吸收带的精细结构。吸收带被分解为五个组分，它们可以归属于具有不同氢键的物种。由各组分的分数和定压热容计算了平均氢键数和平均氢键能。由此估算出水的熔化焓和蒸发焓分别为7.8和44.6kJ·mol-1。这些值与实测值吻合较好，说明对五个组分谱带归属的解释是充分的。
An absorption band assigned to the second overtone of an OH vibration of water was measured at varioustemperature (-120°C to 75°C). We employed spectrum decomposition technique to analyze fine structure of this absorption band. The absorption band was decomposed into five components which may be assigned to species with diffrent hydrogen bondings. The average number and energy of hydrogen bond were calculated from the fraction of each component and heat capacity at constant pressure. From this result the melting and vaporizing enthalpy of water were estimated to be a value of 7.8 and 44.6 kJ·mol-1, respectively. These values were in good agreement with the observed values, which indicating that the interpretation of the assignments of five component bands was ade-quate.