The radical cation of trans-1,3-pentadiene: Resonance Raman spectrum and ab initio calculations

TitleThe radical cation of trans-1,3-pentadiene: Resonance Raman spectrum and ab initio calculations
Publication TypeJournal Article
Year of Publication1996
AuthorsKeszthelyi, T, Wilbrandt, R
JournalJournal of Molecular Structure
Volume379
Pagination211–218
Abstract

The resonance Raman spectrum of the trans-1,3-pentadiene radical cation generated by gamma-irradiation in a Freon glass is reported. The spectrum is excited at 532 nm in resonance with the first absorption band. The spectrum, which is interpreted with the help of density functional theory calculations, indicates the presence of both the s-trans and the s-cis rotamers of the trans-1,3-pentadiene radical cation.

URLhttp://www.sciencedirect.com/science/article/pii/0022286095091998
DOI10.1016/0022-2860(95)09199-8