Structure of aqueous solutions. Infrared librational band study of structure making and structure breaking by dissolved electrolytes

1978 ◽  
Vol 74 (0) ◽  
pp. 583 ◽  
Author(s):  
David W. James ◽  
Ray L. Frost
Keyword(s):  
Aqueous Solutions ◽  
Structure Of Aqueous Solutions ◽  
Structure Breaking

A different view of structure-making and structure-breaking in alkali halide aqueous solutions through x-ray absorption spectroscopy

2014 ◽  
Vol 140 (24) ◽  
pp. 244506 ◽  
Author(s):  
Iradwikanari Waluyo ◽  
Dennis Nordlund ◽  
Uwe Bergmann ◽  
Daniel Schlesinger ◽  
Lars G. M. Pettersson ◽  
...  
Keyword(s):  
Aqueous Solutions ◽  
Absorption Spectroscopy ◽  
Alkali Halide ◽  
X Ray ◽  
X Ray Absorption ◽  
Structure Breaking

scholarly journals SPECTRAL FEATURES AND HYDROGEN BOND STRUCTURE OF AQUEOUS SOLUTIONS OF ETHANOL

2021 ◽  
pp. 30-33
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bonds ◽  
Aqueous Solutions ◽  
Gaseous Medium ◽  
Water Molecules ◽  
Structural Reorganization ◽  
Intermolecular Hydrogen Bonds ◽  
Method Of Molecular Dynamics ◽  
Combined Use ◽  
Structure Of Aqueous Solutions

The aim of this work is develop an approach that makes it possible to study the spectral properties and structure of intermolecular hydrogen bonds in aqueous solutions of ethanol formed in systems whose existence in a gaseous medium or an isolated state is practically impossible. This approach bases on the combined use of infrared spectroscopy and molecular dynamics (MD) methods. An analysis give the structural reorganization of water molecules depending on the concentration of ethanol alcohol. It has been shown that the method of molecular dynamics with classical force fields makes it possible to explicitly take into account the molecules of the solvent and solute, and, thus, to investigate hydrogen bonds in the system and to interpret with the experimental data obtained by vibrational spectroscopy.

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