Theoretical Study of Intermolecular Hydrogen Bonding and Interaction in Ethylene Glycol-Water Mixtures
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چکیده
منابع مشابه
Molecular structure and hydrogen bonding in pure liquid ethylene glycol and ethylene glycol-water mixtures studied using NIR spectroscopy.
The molecular structure and hydrogen bonding of ethylene glycol (EG) and EG-water mixtures in the liquid phase were studied by using near-infrared (NIR) spectroscopy. The spectra were evaluated using a two-dimensional (2D) correlation approach, moving-window 2D correlation analysis and chemometric methods. The minor changes for the CH stretching bands indicate that the structures of pure liquid...
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Mixtures of ethylene glycol with water are a prominent example of media with variable viscosity. Classical molecular dynamics simulations at room temperature were performed for mixtures of ethylene glycol (EG) and water with EG mole fractions of xE = 0.0, 0.1, 0.2, 0.4, 0.6, 0.9, 1.0. The calculated dielectric loss spectra were in qualitative agreement with experiment. We found a slightly overe...
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Computational study of three dimensional potential energy surfaces in intermolecular hydrogen bonding of cis-urocanic acid
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Hydrogen Bonding in Binary Mixtures of Tetrahydrofuran and Water
This contribution reports on the wavenumber shifts and linewidth changes observed for the Raman bands of the C-O and C-C stretching vibrations of tetrahydrofuran (THF) in a series of binary mixtures with water. Experimental results are compared with ab-initio calculations on THF and hydrogen-bonded THF-water complexes. The Raman spectroscopic analysis of vibrational relaxation processes such as...
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ژورنال
عنوان ژورنال: Asian Journal of Chemistry
سال: 2014
ISSN: 0970-7077,0975-427X
DOI: 10.14233/ajchem.2014.16386