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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >The liquid water-benzene system
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The liquid water-benzene system

机译：液态水苯系统

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摘要

The 500 MHz NMR spectra of water-benzene solution near saturation at 303.15, 323.15, and 343.15 K indicate that there is a proton-proton exchange between the water and benzene molecules. In the solution water appears to be present as a dimer attached to the benzene pi cloud on one side of each of the two (initially degenerate) fundamental energy levels, as predicted by the Jahn-Teller effect. This view is reinforced by the fact that one of its hydrogen atoms hovers above one of the carbon atoms and the other three are spread upward around the C6 axis of the benzene molecule. It is also supported by the calculated NMR spectra. Both effects are responsible for the change in the NMR spectra of the water molecules from a single line into four AB signals.
机译：苯水溶液在303.15、323.15和343.15 K附近接近饱和时的500 MHz NMR光谱表明，水与苯分子之间存在质子-质子交换。正如詹恩-泰勒效应所预测的那样，溶液中的水似乎以二聚体形式存在于苯pi云上，处于两个基本能级（分别是简并的）的每个能级的一侧。这种观点因以下事实而得到加强：其氢原子之一徘徊在碳原子之一上方，而其他三个则围绕苯分子的C6轴向上分布。计算出的NMR光谱也支持它。这两种作用都导致水分子的NMR光谱从一条直线变为四个AB信号。

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