Recent advances in the physical chemistry of the liquid state

Abstract

A summary of recent progress in the physical chemistry connected with both equilibrium properties and molecular dynamics of pure liquids is presented. After a short survey of pair potentials and various aspects of the structure of monoatomic dense fluids, selected potential models for polyatomic molecules are discussed. In particular, some computational methods concerning evaluation of structural and thermodynamic properties in cases where the molecules interact via angle-dependent potentials are reviewed.

For the dynamics of translational motion of molecules in pure liquids, emphasis is placed on the long time behaviour of various correlation functions and their interpretation in terms of collective molecular motion. Some results of interaction induced light scattering are also included. The dynamics of vibrational motion is mainly discussed on the basis of the recently developed picosecond laser pulse technique. Rotational motion is treated from the viewpoint of orientational correlation functions and angular velocity correlation functions. This is followed by a discussion of some aspects of applying laser pulse methods for elucidating the rotational dynamics of molecules in solution. Finally, a few significant results concerning relaxation of flexible molecular groups are reported.