Solvation structures of protons and hydroxide ions in water

被引：24

作者：

Chen, Chen ^{[1
,2
]}

Huang, Congcong ^{[2
]}

Waluyo, Iradwikanari ^{[1
,2
]}

Nordlund, Dennis ^{[2
]}

Weng, Tsu-Chien ^{[2
]}

Sokaras, Dimosthenis ^{[2
]}

Weiss, Thomas ^{[2
]}

Bergmann, Uwe ^{[3
]}

Pettersson, Lars G. M. ^{[4
]}

Nilsson, Anders ^{[2
]}

机构：

[1] Stanford Univ, Dept Chem, Stanford, CA 94305 USA

[2] Stanford Synchrotron Radiat Lightsource, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA

[3] Linac Coherent Light Source, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA

[4] Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden

来源：

JOURNAL OF CHEMICAL PHYSICS | 2013年 / 138卷 / 15期

基金：

美国国家科学基金会; 瑞典研究理事会; 美国国家卫生研究院;

关键词：

X-RAY-SCATTERING; ENHANCED DENSITY-FLUCTUATIONS; KIRKWOOD-BUFF PARAMETERS; TERT-BUTYL ALCOHOL; LIQUID WATER; MOLECULAR-DYNAMICS; ABSORPTION SPECTROSCOPY; MICROSCOPIC STRUCTURE; HYDRATED PROTON; MECHANISM;

D O I：

10.1063/1.4801512

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

X-ray Raman spectroscopy (XRS) combined with small-angle x-ray scattering (SAXS) were used to study aqueous solutions of HCl and NaOH. Hydrated structures of H+ and OH- are not simple mirror images of each other. While both ions have been shown to strengthen local hydrogen bonds in the hydration shell as indicated by XRS, SAXS suggests that H+ and OH- have qualitatively different long-range effects. The SAXS structure factor of HCl (aq) closely resembles that of pure water, while NaOH (aq) behaves similar to NaF (aq). We propose that protons only locally enhance hydrogen bonds while hydroxide ions induce tetrahedrality in the overall hydrogen bond network of water. (C) 2013 AIP Publishing LLC. [http://dx.doi.org/10.1063/1.4801512]

引用

页数：7

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