SIMULATION OF CONTINUUM RESONANCE RAMAN-SPECTRA OF ISOTOPICALLY PURE (IBR)-I-127-BR-79 WITH EXCITATION IN THE VISIBLE REGION

Vibrationally resolved Stokes and anti-Stokes Raman spectra particular ly of the first overtone of isotopically pure (IBr)-I-127-Br-29 were s imulated using second-order perturbation theory in the time-independen t and the time-dependent description. Visible radiation from an argon ion laser (496.5-454.5 nm) was used for the excitation pf the continuu m resonance Raman spectra. The high sensitivity of resonance Raman ban d shapes to changes of excited-state potential functions and the inter pretation of depolarization ratios offer the possibility of discussing the various contributions from excited-state potential functions to t he resonance Raman scattering intensity.