Rotational self correlation functions of N₂O dissolved in liquid SF₆

Abstract

Careful study of the I.R. and Raman spectra of N₂O dissolved in inert solvents has shown that, for solutions in SF₆, purely rotational correlation functions can be unambiguously deduced. The comparison with theoretical models usually proposed to describe the rotational motions proved to be inadequate in that case. The reasons of this failure are analysed with the help of a molecular dynamics simulation of a system of 2 Lennard-Jones centres molecules, where the rotational correlation functions are found to be identical to the experimental ones.