Semiempirical and ab initio investigation of defects in PPV oligomers

Authors
Del Nero, J de Melo, CP
Citation
J. Del Nero et Cp. De Melo, Semiempirical and ab initio investigation of defects in PPV oligomers, SYNTH METAL, 121(1-3), 2001, pp. 1741-1742
Citations number
9
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
SYNTHETIC METALS
ISSN journal
03796779 → ACNP
Volume
121
Issue
1-3
Year of publication
2001
Pages
1741 - 1742
Database
ISI
SICI code
0379-6779(20010315)121:1-3<1741:SAAIIO>2.0.ZU;2-C
Abstract
We report a theoretical study of the excited states and other electronic pr operties of para-phenylenevinylene oligomers and related compounds which pr esent conformational defects. Our results reveal the existence of different electronic delocalization patterns for the lowest singlet and triplet stru ctures of these molecules. A similar behavior is also observed for the corr esponding bond lengths.