Molecular dynamics and vibrational relaxations in liquid nitromethane.

Abstract

The vibrational relaxation processes of totally symmetric v 1 (CH stretching and v 5 (NO2 bending) motions of liquid nitromethane have been studied as a function of temperature and concentration in CD3NO2 and CCl4 solutions. The experimental vibrational correlation functions of these two modes have shown that relaxation is collision assisted and suitable for modelling with the stochastic Kubo-Rothschild theory.