已核实 DOI 相关产品: 107

Base-hydration-resolved hydrogen-bond networking dynamics: Quantum point compression

Journal 2016 · IF 2.74 · 发表于 2016 年 9 月 20 日
作者: Yong Zhou,Danping Wu,Yinyan Gong,Zengsheng Ma,Yongli Huang,Xi Zhang,Chang Q Sun
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摘要

We show phonon spectrometrically that the unprecedented H 2 Ö:   ↔   :Ö:H – compression resolves the performance of the base solution networks with “:” being the electron lone pair of oxygen. At hydration, LiOH, NaOH, KOH molecules dissolve each into a :Ö:H – hydroxide and cations of Li + , Na + , and K + , respectively. The cations serve as charge centers to polarize the neighboring water molecules and raise the solution skin stress (or surface tension). The :Ö:H – tetrahedron adds, however, three lone pairs and one bonded H + proton to the solution matrix, turning the initially 2N lone pairs into 2N   +   3 and the 2N bonded H + into 2N   +   1 with an additional O 2– anion. This hydration process breaks the conservation of the 2N lone pairs and protons with two extra lone pairs that only can form a H 2 Ö:   ↔   :Ö:H – super hydrogen bond (super-HB) with strong repulsivity. In addition to the H O bond of the :Ö:H – featured at 3610   cm −   1 , the internal H 2 Ö:   ↔   :Ö:H – compression has an identical effect of mechanical compression, shortening the O:H nonbonds and stiffening their phonons from below 200   cm −   1 to the above. Meanwhile, compression lengthens the network H O bonds and softens their phonons from above 3150   cm −   1 to below. The network H O bonds elongation decreases their energy from ~   4.0 to ~   2.7   eV at hydration, which heats the solution as one often observes. The H 2 Ö:   ↔   :Ö:H – super-HB compressor and the alkali cation polarizor form the keys to the base hydration networks and the properties.

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