Effets de solvant sur les fréquences des vibrateurs CD et CH de quelques haloformes

1970 ◽  
Vol 48 (21) ◽  
pp. 3362-3373 ◽  
Author(s):  
Inga Rossi ◽  
Nguyen-Van- Thanh ◽  
Claude Brodbeck ◽  
Claude Haeusler
Keyword(s):  
Frequency Shift ◽  
Interaction Energy ◽  
Liquid State ◽  
Cell Model ◽  
Approximation Formula ◽  
Dispersion Energy ◽  
Polar Solvents ◽  
Solvent Interaction ◽  
Solute Solvent Interaction ◽  
Induction Energy

The frequencies of the fundamental C—D and C—H stretching band and the overtones have been measured for CDCl3 and CHBr3 in some nonpolar and some slightly polar solvents.We have pointed out that the mechanical anharmonicity of these vibrations is strong and solvent-dependent. Therefore, the approximation [Formula: see text] is not valid for the vibrators considered in this work.The solute–solvent interaction energy is the sum of induction, dispersion, and orientation energies (for polar solvents). Calculations based on the cell model for the liquid state showed that induction energy is of slight influence with respect to dispersion energy, which is greatly responsible for the observed frequency shift.

Notizen: Dispersion Energy Contribution to Solute-Solvent Interaction

1980 ◽  
Vol 35 (12) ◽  
pp. 1424-1425
Author(s):  
J. Mahanty ◽  
C. N. R. Rao
Keyword(s):  
Refractive Index ◽  
Energy Contribution ◽  
Dispersion Energy ◽  
Polar Solvents ◽  
Solvent Interaction ◽  
Solute Solvent Interaction

Solubility of a non-polar solute in non-polar solvents is shown to depend on solvent refractive index.

Basis set dependence of solute-solvent interaction energy of benzene in water: A HF/DFT study

2008 ◽  
Vol 29 (11) ◽  
pp. 1725-1732 ◽  
Author(s):  
Laban Bondesson ◽  
Elias Rudberg ◽  
Yi Luo ◽  
Paweł Sałek
Keyword(s):  
Interaction Energy ◽  
Basis Set ◽  
Dft Study ◽  
Solvent Interaction ◽  
Solute Solvent Interaction

Intermolecular forces and solvent effects. Ill

1962 ◽  
Vol 268 (1332) ◽  
pp. 89-99 ◽  
Keyword(s):  
Intermolecular Forces ◽  
Dielectric Medium ◽  
Dispersion Forces ◽  
Polar Solvents ◽  
Solvent Interaction ◽  
Induced Dipole ◽  
Different Types ◽  
Dielectric Effect ◽  
Type C ◽  
Solute Solvent Interaction

The shifts of frequency of two vibration bands of carbon dioxide in different solvents have been measured. The results cannot be explained satisfactorily in terms of the simple model of an oscillator in a continuous dielectric medium, but suggest that intermolecular forces are dominant. In non-polar solvents dispersion forces appear to account very well for the observed shifts, and attempts have been made to explain the behaviour in polar solvents by additional dipole-induced dipole forces. The carbonyl group vibration in several solutes has been measured in a number of solvents not containing hydrogen, and considered in relation to data in other solvents. Here again, intermolecular forces seem to play a greater part than a bulk dielectric effect. Aggregations of the type C = 0 . . . X — C, in which X is a halogen, appear to occur and suggestions are made to explain the occurrence of shoulders and anomalous band contours which have sometimes been found in terms of different types of solute-solvent interaction occurring simultaneously.

Dielectric Polarisation of Pyridine

1975 ◽  
Vol 30 (7-8) ◽  
pp. 587-590
Author(s):  
V. K. Joshi
Keyword(s):  
Dipole Moment ◽  
Carbon Tetrachloride ◽  
Polar Solvents ◽  
Solvent Interaction ◽  
Solute Solvent Interaction ◽  
The Moment ◽  
Dielectric Polarisation ◽  
Influence Of Solvent

This paper deals with the study of dielectric polarisation of pyridine at 35°C in four non polar solvents namely benzene, carbon tetrachloride, dioxan and cyclohexane. The results have been discussed to understand the merits of PALIT equation. It is observed that the moment value μs obtained by this is fairly comparable with that calculated by the method of HALVERSTADT and KUMLER2. The order of apparent dipole moment has been discussed in terms of influence of solvent and solute-solvent interaction as well.

A theory of solvent effects in infra-red spectra

1960 ◽  
Vol 255 (1280) ◽  
pp. 39-43 ◽  
Keyword(s):  
Vapour Phase ◽  
Dispersion Forces ◽  
Vibration Frequencies ◽  
Polar Solvents ◽  
Solvent Interaction ◽  
Induced Dipole ◽  
Infra Red ◽  
Moment Functions ◽  
Solute Solvent Interaction ◽  
Solvent Molecules

The vibration frequencies of a molecule change on immersion in a solvent as a result of the forces between the molecule and the surrounding solvent molecules. For non-polar solvents, in the absence of strongly orientation-dependent forces such as hydrogen bonding, dipole-induced dipole and dispersion forces are probably most important. The former can be approximated by considering the solute molecule to be in a spherical cavity of radius a in a uniform dielectric. This over-simple model of the solvent facilitates consideration of the effect of varying solute parameters upon ∆ ν/ν , the fractional decrease of frequency on solution in a given solvent from the vapour phase, and indicates, at least qualitatively, the character of the solute-solvent interaction in most cases. It can be shown (Pullin 1958) that if the dilute vapour phase potential and dipole moment functions of a diatomic molecule are given by V ( x ) = ½ kx 2 - bx 3 + cx 4 , (1) μ ( x ) = μ 0 + M ' x + M " x 2 , (2) then the potential function V s for the system, molecule and surrounding dielectric, is V s ( x ) = V ( x ) - ½ fμ 0 2 - fμ 0 M ' x - ½ fM ' 2 x 2 - fμ 0 M " x 2 - fM ' M " x 3 - ½ fM "2 x 4 , (3)

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