Electrostatic interactions of a neutral dipolar solute with a fused salt: A new model for solvation in ionic liquids

Article Abstract:

A model for solute-solvent electrostatic interactions in ionic liquid is described which provides screening of the solute electric field without polarization of the medium, solving a possible contradiction between the weakness of solute-solvent interactions and the behavior of a conductive system. The model forecasts the nature of the solute-solvent interactions in ionic liquids and it is consistent with the empirical data on testing.

Analysis, Electrostatics, Ionic solutions, Chemical properties

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Dinitramide ion: Robust molecular charge topology accompanies an enhanced dipole moment in its ammonium salt

Article Abstract:

The electron density, rho(r), of crystalline ammonium dinitramide (ADN) was determined from low-temperature X-ray diffraction data and electronic structure calculations. It is concluded that in salts, the range of the nitro group rotations remains in a region where the formal charge on the central nitrogen can be effectively delocalized.

X-ray diffraction, Amides, Electron configuration

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On the determination of partial molar polarizations and dipole moments of solutes from multicomponent solutions alone: experimental and model development using deutero-labeled organic compounds

Article Abstract:

A model quaternary system consisting of three deuterated solutes are studied. Three different numerical approaches are used to determine the individual limiting solute molar polarizations from the multicomponent solutions.

Molecular dynamics, Deuteron reactions

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