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Variation in Near-Infrared Spectra of Water Containing Polyhydric Alcohol
Journal of Solution Chemistry ( IF 1.4 ) Pub Date : 2019-11-25 , DOI: 10.1007/s10953-019-00928-5
Sayaka Katsu , Shori Ito , Norio Yoshimura , Masao Takayanagi

Near-infrared absorption spectra of aqueous solutions of eleven polyhydric alcohols (nine dihydric alcohols and two trihydric alcohols) at concentrations up to 20% were obtained at 20, 25, and 30 °C. Variations in the band due to O–H stretching vibration overtones of water and alcohol with changes in concentration and temperature were determined by a multivariate curve resolution-alternating least squares analysis, which identified the components of the band causing the spectral variation. The band consisted of three common components almost independent of the alcohol type. The first and the second components are attributed, respectively, to water molecules weakly hydrogen-bonded (or non hydrogen-bonded) and those strongly hydrogen-bonded with other water molecules, while the third component are due to water interacting with the alcohol and to the alcohol itself. The abundance of the first and third components decreased and increased, respectively, as the alcohol concentration increased. In contrast, the abundance of the second component increased initially and then decreased. The initial increase corresponds to the enhancement of hydrogen bonding by hydrophobic interactions. The subsequent decrease is due to an increase in water–alcohol interactions and a decrease in water concentration. The maximum increase in the abundance of the second component depended on the type of alcohol. The increase in abundance was greater for alcohols with larger alkyl groups. In contrast, the increase in abundance of the second component was smaller for alcohols with more hydric groups.

中文翻译:

含多元醇水的近红外光谱变化

在 20、25 和 30 °C 下获得了浓度高达 20% 的十一种多元醇(九种二元醇和两种三元醇)水溶液的近红外吸收光谱。由于水和酒精的 O-H 伸缩振动泛音随浓度和温度的变化而引起的波段变化是通过多元曲线分辨率交替最小二乘分析确定的,该分析确定了引起光谱变化的波段分量。该乐队由几乎与酒精类型无关的三种常见成分组成。第一和第二组分分别归因于弱氢键(或非氢键)的水分子和与其他水分子强氢键的水分子,而第三个成分是由于水与酒精相互作用以及酒精本身。随着酒精浓度的增加,第一和第三组分的丰度分别减少和增加。相比之下,第二个成分的丰度最初增加然后减少。最初的增加对应于疏水相互作用导致氢键的增强。随后的下降是由于水-醇相互作用的增加和水浓度的下降。第二组分丰度的最大增加取决于酒精的类型。对于具有较大烷基的醇,丰度的增加更大。相比之下,对于具有更多羟基的醇,第二组分丰度的增加较小。随着酒精浓度的增加,第一和第三组分的丰度分别减少和增加。相比之下,第二个成分的丰度最初增加然后减少。最初的增加对应于疏水相互作用导致氢键的增强。随后的下降是由于水-醇相互作用的增加和水浓度的下降。第二组分丰度的最大增加取决于酒精的类型。对于具有较大烷基的醇,丰度的增加更大。相比之下,对于具有更多羟基的醇,第二组分丰度的增加较小。随着酒精浓度的增加,第一和第三组分的丰度分别减少和增加。相比之下,第二个成分的丰度最初增加然后减少。最初的增加对应于疏水相互作用导致氢键的增强。随后的下降是由于水-醇相互作用的增加和水浓度的下降。第二组分丰度的最大增加取决于酒精的类型。对于具有较大烷基的醇,丰度的增加更大。相比之下,对于具有更多羟基的醇,第二组分丰度的增加较小。第二组分的丰度先增加后减少。最初的增加对应于疏水相互作用导致氢键的增强。随后的下降是由于水-醇相互作用的增加和水浓度的下降。第二组分丰度的最大增加取决于酒精的类型。对于具有较大烷基的醇,丰度的增加更大。相比之下,对于具有更多羟基的醇,第二组分丰度的增加较小。第二组分的丰度先增加后减少。最初的增加对应于疏水相互作用导致氢键的增强。随后的下降是由于水-醇相互作用的增加和水浓度的下降。第二组分丰度的最大增加取决于酒精的类型。对于具有较大烷基的醇,丰度的增加更大。相比之下,对于具有更多羟基的醇,第二组分丰度的增加较小。第二组分丰度的最大增加取决于酒精的类型。对于具有较大烷基的醇,丰度的增加更大。相比之下,对于具有更多羟基的醇,第二组分丰度的增加较小。第二组分丰度的最大增加取决于酒精的类型。对于具有较大烷基的醇,丰度的增加更大。相比之下,对于具有更多羟基的醇,第二组分丰度的增加较小。
更新日期:2019-11-25
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