RADICAL CATIONS OF MONOMETHYL-SUBSTITUTED 1,3-BUTADIENES - RESONANCE RAMAN-SPECTRA AND MOLECULAR-ORBITAL CALCULATIONS

Authors
KESZTHELYI T WILBRANDT R
Citation
T. Keszthelyi et R. Wilbrandt, RADICAL CATIONS OF MONOMETHYL-SUBSTITUTED 1,3-BUTADIENES - RESONANCE RAMAN-SPECTRA AND MOLECULAR-ORBITAL CALCULATIONS, Journal of physical chemistry, 100(39), 1996, pp. 15785-15793
Citations number
57
Categorie Soggetti
Chemistry Physical
Journal title
Journal of physical chemistry → ACNP
ISSN journal
00223654
Volume
100
Issue
39
Year of publication
1996
Pages
15785 - 15793
Database
ISI
SICI code
0022-3654(1996)100:39<15785:RCOM1->2.0.ZU;2-1
Abstract
The resonance Raman spectra of the trans- and cis-1,3-pentadiene and t he 2-methyl-1,3-butadiene (isoprene) radical cations generated by gamm a-irradiation in a Freon glass are reported. The spectra are excited i n resonance with the first absorption band. The spectra, which are int erpreted with the help of density functional theory calculations, indi cate the presence of both the s-trans and the s-cis rotamers of all th ree radical cations.