Fifth-order Raman spectroscopy of liquid benzene: Experiment and theory

Article Abstract:

The passive-phase stabilization of diffractive optics was exploited to characterize the heterodyned fifth-order Raman response stabilization of diffractive optics. The overall response characteristics such as a complete lack of signal along the pump delay, an elongated signal along the probe delay, and a short-lived signal along the time diagonal are similar to those of liquid carbon disulfide, but the observed change in phase between the nuclear and electronic response along the probe delay and diagonal is unique, as it is not present in carbon disulphide.

Raman spectroscopy, Diffraction

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Hydration of hydrophobic solutes treated by the fundamental measure approach

Article Abstract:

A method to calculate the hydration of hydrophobic solutes by the fundamental measure theory, which permits calculations of the density profile and the hydration energy for hydrophobic molecules, is presented. The method is used to calculate hydration of spherical solutes of various sizes from one angstrom up to several nanometers, and the free energies, the enthalpies, and the entropies of hydrated rare gases and hydrocarbons are evaluated.

Hydrocarbons, Chemical properties

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Structure of hydrophobic hydration of benzene and hexafluorobenzene from first principles

Article Abstract:

The aqueous hydration of benzene and hexafluorobenzene, as obtained by performing extensive (>100 ps) first principles molecular dynamics simulations is described. The findings indicate that benzene and hexafluorobenzene do not behave as ordinary hydrophobic solutes, but rather present two distinct regions, one equatorial and the other axial, that exhibit different solvation properties.

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