THE RADICAL-CATION OF TRANS-1,3-PENTADIENE - RESONANCE RAMAN-SPECTRUMAND AB-INITIO CALCULATIONS

Authors
KESZTHELYI T WILBRANDT R
Citation
T. Keszthelyi et R. Wilbrandt, THE RADICAL-CATION OF TRANS-1,3-PENTADIENE - RESONANCE RAMAN-SPECTRUMAND AB-INITIO CALCULATIONS, Journal of molecular structure, 379, 1996, pp. 211-218
Citations number
31
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure → ACNP
ISSN journal
00222860
Volume
379
Year of publication
1996
Pages
211 - 218
Database
ISI
SICI code
0022-2860(1996)379:<211:TROT-R>2.0.ZU;2-P
Abstract
The resonance Raman spectrum of the trans-1,3-pentadiene radical catio n generated by gamma-irradiation in a Freon glass is reported. The spe ctrum is excited at 532 nm in resonance with the first absorption band . The spectrum, which is interpreted with the help of density function al theory calculations, indicates the presence of both the s-trans and the s-cis rotamers of the trans-1,3-pentadiene radical cation.