SPECTRAL FEATURES AND HYDROGEN BOND STRUCTURE OF AQUEOUS SOLUTIONS OF ETHANOL

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.

All-Russian Seminar on the Study of the Structure of Liquids and Solutions (In Memory of O.Ya. Samoilov)

This publication is dedicated to the memory of Oleg Yakovlevich Samoilov, who passed away in June 1980. Having entered the Institute of General and Inorganic Chemistry of the USSR Academy of Sciences after the university bench in 1942, Oleg Yakovlevich worked his way up from a junior researcher to the head of a laboratory, having defended his candidate and at the age of 37 his doctoral dissertation and soon received the academic title of professor. His area of interest was the nature of the liquid state, and in this area he opened the way to new views on the structure of liquids and the nature of the thermal motion of their particles, reflected in the monograph "The structure of aqueous solutions of electrolytes and hydration of ions", immediately translated abroad to major foreign languages, and at the seminar organized by him at the Institute for the Study of the Structure of Liquids and Solutions, which he directed from 1962 to the last days of his life, and which continues to exist to this day. The entire content of the seminar is reflected in this publication.

The Fermi Level as an Energy Reference in Liquid Jet X-ray Photoelectron Spectroscopy Studies of Aqueous Solutions

To advance an understanding of key electrochemical and photocatalytic processes that depend on the electronic structure of aqueous solutions, X-ray photoemission spectroscopy has become an invaluable tool, especially when practiced...

The structure of aqueous solutions of hexafluoro-iso-propanol studied by neutron diffraction with hydrogen/deuterium isotope substitution and empirical potential structure refinement modeling

Neutron diffraction measurements are made at room temperature for seven H/D substituted hexafluoro-iso-propanol (HFIP; 1, 1, 1, 3, 3, 3-hexafluoro-2-propanol)-water mixtures at 0.1, 0.2, and 0.4 HFIP mole fraction (xHFIP)....

Features of the Ionic State of Indium in Perchlorate Solutions and the Physicochemical Properties of Indium Perchlorate

The possibility of the formation of India perchlorate and mixed ligand complexes has been studied. It is assumed that during the extraction of indium in aqueous solutions of hydrochloric acid at various concentrations and constant ionic strength maintained by the addition of perchloric acid, indium is present in the organic phase in the form of ionic aggregates HClO4 · HInCl4. To study the hydration of Ions, the method of electrical conductivity was carried out in the “In(ClO4)3 - HClO4 - H2O” system. The structure of aqueous solutions of India perchlorates was determined by IR spectroscopy. The structures of trivalent perchlorate India have been established.