MOLECULAR-DYNAMICS SIMULATIONS OF THE DEPOLARIZED LIGHT-SCATTERING SPECTRA OF LIQUID OCS IN COMPARISON WITH EXPERIMENT AND SIMULATIONS OF CO2 AND CS2

Molecular dynamics computer simulation was used to study depolarized l ight scattering in liquid OCS at temperatures of 170, 243, and 298 K. Applying the first-order dipole-induced dipole model for the interacti on-induced polarizabilities, the time correlation functions and spectr al line shapes corresponding to the depolarized Rayleigh and nonvibrat ional contributions to the symmetric stretch (v(1)) mode Raman spectra were calculated. The results were compared with experimental findings and simulations bn the liquids CO2 and CS2. We find that the OCS simu lations reflect the main spectral features in satisfactory agreement w ith experiment and that an intermediate position concerning all the st udied particularities is assigned to liquid OCS between CO2 and CS2. F or these three liquids the difference correlation functions between Ra yleigh and Raman light scattering were computed and discussed in terms of their component many-body contributions.