RADICAL-CATION OF 1,3-BUTADIENE - RESONANCE RAMAN-SPECTRUM OF THE H(6) ISOTOPOMER

We report the resonance Raman spectrum of the 1,3-butadiene radical ca tion generated by gamma-irradiation in a Freon glass. The spectrum is excited at 550 nm in resonance with the first absorption band. The spe ctrum, which is interpreted with the help of density functional theory calculations and a recently published scaled quantum mechanical force field, indicates the presence of both the s-trans and the s-cis rotam ers of the butadiene radical cation.