Abstract

A comparative study between the theoretical far-infrared spectra of HCl in Ar (105 K), Kr (125 K) and Xe (175 K) liquids obtained by using classical and quantum intermolecular potential time correlation functions (TCF) is presented The obtained results show that the consideration of quantum TCF's leads to an enhacement of the absorption in the winds of the spectra. Furthermore, whereas there are no significative diferences between widths of individual rotational lines calculated from classical and quantum TCF's, the shifts calculated from quantum TCF's are greater than those calculated with classical ones, specially for low values of j.

Full Text
Published version (Free)

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call