Torsional structure in poly(para-phenylene vinylene)

Authors
Fu, RT Sluiter, M Wu, CQ Sun, X Kawazoe, Y
Citation
Rt. Fu et al., Torsional structure in poly(para-phenylene vinylene), SYNTH METAL, 101(1-3), 1999, pp. 304-305
Citations number
6
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
SYNTHETIC METALS
ISSN journal
03796779 → ACNP
Volume
101
Issue
1-3
Year of publication
1999
Pages
304 - 305
Database
ISI
SICI code
0379-6779(199905)101:1-3<304:TSIPV>2.0.ZU;2-1
Abstract
A direct approach to calculate the phonon dispersion curves in poly(para-ph enylene vinylene, PPV) by using a parameterized tight-binding force constan t method is presented. The calculated phonon dispersion curves for the firs t time show a pronounced soft mode in responding to a specific twisted stru cture in PPV, in very good agreement with experiments. A torsion angle of 2 2 degrees is predicted in PPV chain, consistent with experimental data in o ligomers.