The fundamental vibrational shift of HCl diluted in dense Ar and Kr

The fundamental infrared band vibrational shifts of HCl diluted in dense Ar and Kr have been calculated by means of molecular dynamics simulation techniques and compared with the experimental data reported by Pérez et al. (J. Chem. Phys. 122, 194507 (2005)). The results have been analysed along the liquid–vapour coexistence line as in several supercritical states, with good agreement between the theoretical and experimental values.