Radical cation of 1,3-butadiene: Resonance Raman spectrum of the h(6) isotopomer

TitleRadical cation of 1,3-butadiene: Resonance Raman spectrum of the h(6) isotopomer
Publication TypeJournal Article
Year of Publication1996
AuthorsKeszthelyi, T, Wilbrandt, R, Bailey, CA
JournalJournal of Physical Chemistry
Volume100
Pagination16843–16849
Date Publishedoct
Abstract

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.

URLhttp://dx.doi.org/10.1021/jp9618385
DOI10.1021/jp9618385