Solvation dynamics in nonaqueous reverse micelles

Article Abstract:

The solvation dynamics of two polar solvents in nonaqueous reverse micelles were investigated. The dynamics of methanol and acetonitrile micelles were found to be 10(super 3) slower in reverse micelles than those in pure solvents. More specifically, it was shown that the dynamics of methanol depended strongly on the ratio w of micelles, while the dynamics of acetonitrile were independent of the ratio w. The difference in the dynamics of the two solvents is theorized to be the result of the presence of hydrogen bonds in methanol and their absence in acetonitrile.

Research, Hydrogen bonding, Hydrogen bonds, Micelles, Methanol, Solution (Chemistry), Solutions (Chemistry), Acetonitrile

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Force field development for poly(dimethylsilylenemethylene) with the aid of ab initio calculations

Article Abstract:

The molecular geometries, conformational energies, and zero-point energies of di(trimethylsilylene)methylene are obtained from high-level quantum chemistry calculations. Molecular mechanics and Monte Carlo calculations for isolated polymer chains together with molecular dynamics runs for the modeled dimer have provided excellent results in terms of conformational and thermodynamic properties.

Monte Carlo method, Monte Carlo methods, Structure, Chemical properties, Methylene compounds

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Ultrafast dynamics of liquid poly(ethylene glycol)s and crown ethers studied by femtosecond Raman-induced Kerr effect spectroscopy

Article Abstract:

A study investigates the ultrafast molecular dynamics of liquid poly(ethylene glycol)s, tetra(ethylene glycol), penta(ethylene glycol), and poly(ethylene glycol) with the molecular weight of 600, and crown ethers, 12-crown-4 and 15-crown-5. These investigations are carried out by means of femtosecond optical heterodyne-detected Raman-induced Kerr effect spectroscopy.

Spectra, Raman spectroscopy, Polyethylene glycol, Properties

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