Abstract
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.
Original language | English (US) |
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Pages (from-to) | 56-62 |
Number of pages | 7 |
Journal | Chemical Physics Letters |
Volume | 278 |
Issue number | 1-3 |
DOIs | |
State | Published - Oct 24 1997 |
Externally published | Yes |
All Science Journal Classification (ASJC) codes
- General Physics and Astronomy
- Physical and Theoretical Chemistry