CONFORMATIONAL PROPERTIES OF POLY(P-PHENYLENE VINYLENE)

Authors
TOMAN P SKALA L POSPISIL J
Citation
P. Toman et al., CONFORMATIONAL PROPERTIES OF POLY(P-PHENYLENE VINYLENE), Czechoslovak journal of Physics, 48(4), 1998, pp. 507-511
Citations number
10
Categorie Soggetti
Physics
Journal title
Czechoslovak journal of Physics → ACNP
ISSN journal
00114626
Volume
48
Issue
4
Year of publication
1998
Pages
507 - 511
Database
ISI
SICI code
0011-4626(1998)48:4<507:CPOPV>2.0.ZU;2-B
Abstract
We investigate the quasiparticle conformational defects (excitons, pol arons and bipolarons) in the phenylene vinylene oligomers. The conform ations are determined by means of the minimization of the total Hartre e-Fock energy calculated at 3-21G level. The infrared vibrational tran sitions are calculated and the types of vibrations are assigned. The t heoretical spectra are in good agreement with the experimental vibrati onal spectrum of poly(p-phenylene vinylene).