The time-resolved resonance Raman (TR3) spectrum of S1 cis-stilbene in n-hexane is presented. Raman bands are observed at 243, 475, 742, 977, 1200 and 1440 cm-1. Their positions and relative intensities suggest that these belong to a high-order overtone progression (up to the fifth order) originating from the 243 cm1- fundamental. This observation implies a large difference between S1 and the resonant Sn states in the equilibrium nuclear coordinate corresponding to the 243 cm-1 mode, with displacement Δ ∼ 12. Ground and excited state equilibrium geometries and frequencies are determined using ab initio molecular orbital calculations.
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry