INFLUENCE OF SILICON ATOMS ON THE PI-CONJUGATION IN ELECTROLUMINESCENT POLYMERS

Authors
POHL A BREDAS JL
Citation
A. Pohl et Jl. Bredas, INFLUENCE OF SILICON ATOMS ON THE PI-CONJUGATION IN ELECTROLUMINESCENT POLYMERS, International journal of quantum chemistry, 63(2), 1997, pp. 437-440
Citations number
14
Categorie Soggetti
Chemistry Physical
Journal title
International journal of quantum chemistry → ACNP
ISSN journal
00207608
Volume
63
Issue
2
Year of publication
1997
Pages
437 - 440
Database
ISI
SICI code
0020-7608(1997)63:2<437:IOSAOT>2.0.ZU;2-1
Abstract
By means of the valence effective Hamiltonian (VEH) method, we calcula ted the electronic structure for a polymer containing poly(para-phenyl ene vinylene) (PPV) and dimethoxy-poly(para-phenylene) (PPP) units as well as silicon atoms used as spacers. The equilibrium geometry was ob tained by an AM1 calculation. We obtained a band gap of 3.2 eV, which corresponds to emittance in the blue part of the spectrum. This polyme r is used as the active layer in light-emitting diodes. (C) 1997 John Wiley & Sons, Inc.