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Glory-Scattering Measurement of Water-Noble-Gas Interactions: The Birth of the Hydrogen Bond

机译:贵金属与气体相互作用的光辉散射测量:氢键的诞生

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Herein we describe molecular-beam scattering experiments probing the interactions of water with He,Ne,Ar,Kr,and Xe,the observation of the quantum mechanical "glory" interference effect,and the determination of well depths,well positions,and strengths of long-range attraction.Comparisons with expectations from features of typical van der Waals (vdW) dimers indicate how a trend develops along the series for water to bind more strongly than for pure vdW,by means of state-of-the-art ab initio calculations,in which a proton is protruded as a binding bridge towards the heavier noble gases.These precise measurements of the manifestation of an embryonic hydrogen bond contribute to the understanding of this ubiquitous phenomenon and offer important insight for its modeling.
机译:在这里,我们描述分子束散射实验,探索水与He,Ne,Ar,Kr和Xe的相互作用,观察量子力学“光辉”干涉效应,并确定阱深度,阱位置和强度。与典型范德华(vdW)二聚体特征的预期相比较,表明通过最先进的从头算起,水与纯vdW结合的趋势如何沿着系列发展计算过程中,质子作为通往较重稀有气体的结合桥而突出。这些对胚胎氢键表现形式的精确测量有助于理解这种普遍存在的现象,并为其建模提供重要的见识。

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