Comparison of the Raman spectrum of trans-stilbene in the S1 state calculated by the CIS method and the spectra observed under resonant and off-resonant conditions

The Raman intensities of trans-stilbene (tSB) in the lowest singlet excited (S1) state is derived from quantum chemical calculations by the CIS method and compared with the transient Raman spectra observed under resonant and off-resonant conditions. The calculated Raman intensities of tSB in the S1 state are useful to some extent for assigning the observed Raman bands. However, some discrepancies are found between the calculated and observed Raman intensities. The reason for such discrepancies is discussed.