Chemistry Commons^™

Resonance Raman Investigation Of The Radical Cation Of 1,3,5-Hexatriene, Tamas Keszthelyi, Robert Wilbrandt, Robert J. Cave, Jenifer L. Johnson

All HMC Faculty Publications and Research

The resonance Raman spectrum of the 1,3,5-hexatriene radical cation generated by v-irradiation in a Freon glass is reported. The spectrum is excited at 395 nm in resonance with the second absorption band. Identical spectra are obtained from ionized (E)- and (Z)-1,3,5-hexatriene. The presence of more than one rotamer has to be assumed to account for all the observed resonance Raman bands. The bands are assigned to a mixture of the two rotamers, calculated at lowest energy, the ttt an tct rotamers, on the basis of ab initio ROHF/6-31G calculated harmonic frequencies. The spectrum indicates that …