VIBRATIONAL AND ELECTRONIC-SPECTRA OF MATRIX-ISOLATED TETRACENE CATIONS

Citation
J. Szczepanski et al., VIBRATIONAL AND ELECTRONIC-SPECTRA OF MATRIX-ISOLATED TETRACENE CATIONS, Chemical physics letters, 245(6), 1995, pp. 539-548
Citations number
31
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
245
Issue
6
Year of publication
1995
Pages
539 - 548
Database
ISI
SICI code
0009-2614(1995)245:6<539:VAEOMT>2.0.ZU;2-A
Abstract
The electronic and vibrational spectra of tetracene cations, generated by vapor-phase electron bombardment and deposited in an argon matrix, have been recorded. Integrated intensities of the infrared bands of n eutral and cationic tetracene compare well with a recent density funct ional calculation by Langhoff, As observed in previous studies of PAH ions, the intense neutral out-of-plane CH bends decrease drastically i n the cation, while the very weak neutral in-plane CC stretches and CH bends gain dramatically upon ionization. The possible contribution of tetracene cations and neutrals to the 'unidentified interstellar infr ared' bands is discussed.