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首页> 外文期刊>Journal of Molecular Structure >Selective molecular interactions between dimethyl sulfoxide and the functional groups of 2-mercaptoethanol
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Selective molecular interactions between dimethyl sulfoxide and the functional groups of 2-mercaptoethanol

机译:二甲基亚砜与2-巯基乙醇官能团之间的选择性分子相互作用

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摘要

With the help of excess infrared spectroscopy, a modified component-normalization method in two-dimensional correlation spectroscopy has been proposed for investigating molecular interactions. In this method, deviation of absorption coefficient of a concerned component in mixtures front that of its pure state is expressed LIS the Value Of excess molar absorbance divided by the mole fraction of the concerned component. Compared with the original component-normalization method, the new method call reduce the influences from non-concerned components. Using the new data pretreatment method, selective hydrogen bonding interactions between dimethyl sulfoxide (DMSO) and the two functional groups (OH and SH) of 2-mercaptoethanol (ME) were studied by two-dimensional infrared correlation spectroscopy. The results show that, although both OH and SH groups in ME call interact with DMSO, DMSO molecule interacts selectively with the OH group of ME molecule at low concentrations of DMSO. Results of excess infrared spectroscopy also support the conclusion.
机译:借助于过量红外光谱,提出了一种改进的二维相关光谱中的组分归一化方法,用于研究分子间的相互作用。在这种方法中,混合物中有关组分的吸收系数的偏差先于其纯态的偏差表示为LIS,即过量摩尔吸光度的值除以有关组分的摩尔分数。与原始组件规范化方法相比,新方法调用减少了无关组件的影响。使用新的数据预处理方法,通过二维红外相关光谱研究了二甲基亚砜(DMSO)与2-巯基乙醇(ME)的两个官能团(OH和SH)之间的选择性氢键相互作用。结果表明,尽管ME中的OH和SH基团都与DMSO相互作用,但是DMSO分子在低浓度的DMSO下与ME分子的OH基团选择性地相互作用。过量红外光谱的结果也支持该结论。

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