@article{444,
  author = {Tamás Keszthelyi and R. Wilbrandt and RJ Cave and JL Johnson},
  title = {Resonance raman investigation of the radical-cation of 1,3,5-hexatriene},
  abstract = {<p>The resonance Raman spectrum of the 1,3,5-hexatriene radical cation generated by gamma-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 and tct rotamers, on the basis of ab initio ROHF/6-31G calculated harmonic frequencies. The spectrum indicates that the ttt and tct rotamers are formed in a ratio in the range 0.4/0.6-0.6/0.4. Two possible mechanisms are proposed to explain the presence of these two rotamers.</p>},
  year = {1994},
  journal = {Journal of Physical Chemistry},
  volume = {98},
  number = {22},
  pages = {5632–5638},
  month = {jun},
  url = {http://dx.doi.org/10.1021/j100073a010},
  doi = {10.1021/j100073a010},
}