|Title||Radical cation of 1,3-butadiene: Resonance Raman spectrum of the h(6) isotopomer|
|Publication Type||Journal Article|
|Year of Publication||1996|
|Authors||Keszthelyi, T, Wilbrandt, R, Bailey, CA|
|Journal||Journal of Physical Chemistry|
We report the resonance Raman spectrum of the 1,3-butadiene radical cation generated by gamma-irradiation in a Freon glass. The spectrum is excited at 550 nm in resonance with the first absorption band. The spectrum, 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 rotamers of the butadiene radical cation.